643	371	961	0:SP2_SP2_SP3	C[6,6a]	N[6a]	S[6]	3:4:2:	3:3:	3:3:1:1:	C[6,6a]-3:S[6]-4:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-1:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(S[6]C[6,6a]OO)(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)	S[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(O)2	C[6,6a](C[6,6a]C[6a]C[6])(S[6]C[6,6a]OO)(N[6a]C[6a]){1|O<1>,2|H<1>,3|C<3>}	N[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H){1|H<1>,2|O<1>,3|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(O)2{1|H<1>,5|C<3>}	111.6405	0.544	2	111.6405	0.296	2	111.6405	0.296	2	113.0752	2.921	9	113.0752	2.921	9	113.0752	2.921	9
643	371	961	0:SP2_SP2_SP3	C[6,6a]	N[6a]	S[6]	3:4:2:	3:3:	3:3:1:1:	C[6,6a]-3:S[6]-4:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6,6]-3:O-1:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(S[6]N[6,6]OO)(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]C)	S[6](C[6,6a]C[6,6a]N[6a])(N[6,6]C[6,6]C[6])(O)2	C[6,6a](C[6,6a]C[6a]C[6])(S[6]N[6,6]OO)(N[6a]C[6a]){1|O<1>,2|C<3>,3|C<4>}	N[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]C){1|H<1>,1|N<3>,2|C<3>,2|O<1>}	S[6](C[6,6a]C[6,6a]N[6a])(N[6,6]C[6,6]C[6])(O)2{1|C<4>,2|H<1>,4|C<3>}	113.1640	0.000	1	113.5870	0.358	2	113.5870	0.358	2	113.0752	2.921	9	113.0752	2.921	9	113.0752	2.921	9
643	371	961	0:SP2_SP2_SP3	C[6,6a]	N[6a]	S[6]	3:4:2:	3:3:	3:3:1:1:	C[6,6a]-3:S[6]-4:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6,6]-3:O-1:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(S[6]N[6,6]OO)(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]C)	S[6](C[6,6a]C[6,6a]N[6a])(N[6,6]C[6,6]C[6])(O)2	C[6,6a](C[6,6a]C[6a]C[6])(S[6]N[6,6]OO)(N[6a]C[6a]){1|O<1>,2|C<4>,3|C<3>}	N[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]C){1|H<1>,1|N<3>,2|C<3>,2|O<1>}	S[6](C[6,6a]C[6,6a]N[6a])(N[6,6]C[6,6]C[6])(O)2{1|C<4>,1|H<1>,4|C<3>}	114.0100	0.000	1	113.5870	0.358	2	113.5870	0.358	2	113.0752	2.921	9	113.0752	2.921	9	113.0752	2.921	9
643	371	961	0:SP2_SP2_SP3	C[6,6a]	N[6a]	S[6]	3:4:2:	3:3:	3:3:1:1:	C[6,6a]-3:S[6]-4:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:O-1:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(S[6]N[6]OO)(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]C)	S[6](C[6,6a]C[6,6a]N[6a])(N[6]C[6]C)(O)2	C[6,6a](C[6,6a]C[6a]C[6])(S[6]N[6]OO)(N[6a]C[6a]){1|O<1>,2|C<3>,3|C<4>}	N[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]C){1|H<1>,1|N<3>,2|C<3>,2|O<1>}	S[6](C[6,6a]C[6,6a]N[6a])(N[6]C[6]C)(O)2{4|C<3>}	115.1370	0.134	2	115.1370	0.018	2	114.2968	0.954	4	113.0752	2.921	9	113.0752	2.921	9	113.0752	2.921	9
643	371	961	0:SP2_SP2_SP3	C[6,6a]	N[6a]	S[6]	3:4:2:	3:3:	3:3:1:1:	C[6,6a]-3:S[6]-4:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:O-1:O-1:	C[6,6a](C[6,6a]C[6a]N[6])(S[6]N[6]OO)(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)	S[6](C[6,6a]C[6,6a]N[6a])(N[6]C[6]H)(O)2	C[6,6a](C[6,6a]C[6a]N[6])(S[6]N[6]OO)(N[6a]C[6a]){1|C<3>,2|C<4>,3|H<1>}	N[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H){1|C<3>,1|H<1>,2|N<3>,2|O<1>}	S[6](C[6,6a]C[6,6a]N[6a])(N[6]C[6]H)(O)2{1|N<3>,2|C<3>,2|H<1>}	113.4565	0.141	2	113.4565	0.020	2	114.2968	0.954	4	113.0752	2.921	9	113.0752	2.921	9	113.0752	2.921	9
643	371	961	0:SP2_SP2_SP3	C[6,6a]	N[6a]	S[6]	3:4:2:	3:3:	3:3:1:1:	C[6,6a]-3:S[6]-4:N[6a]-2:	C[6,6a]-3:C[6a]-3:	N[5a,6]-3:C[6,6a]-3:O-1:O-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(S[6]N[5a,6]OO)(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H)	S[6](N[5a,6]C[5a,6,6a]C[5a,6a])(C[6,6a]C[6,6a]N[6a])(O)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(S[6]N[5a,6]OO)(N[6a]C[6a]){1|N<2>,2|H<1>,3|C<3>}	N[6a](C[6,6a]C[6,6a]S[6])(C[6a]C[6a]H){1|H<1>,1|N<3>,2|C<3>,2|O<1>}	S[6](N[5a,6]C[5a,6,6a]C[5a,6a])(C[6,6a]C[6,6a]N[6a])(O)2{6|C<3>}	110.0350	0.000	1	110.0350	0.000	1	110.0350	0.000	1	113.0752	2.921	9	113.0752	2.921	9	113.0752	2.921	9
643	371	971	0:SP2_SP-NON_SP2	C[6a]	N[6a]	I	3:2:3:	3:3:	3:1:1:	C[6a]-3:N[6a]-2:I-3:	C[6a]-3:C[6a]-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(IOO)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]I)	I(C[6a]C[6a]N[6a])(O)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(IOO){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]I){1|C<3>,2|H<1>}	I(C[6a]C[6a]N[6a])(O)2	116.8770	0.000	1	116.8770	0.000	1	117.4555	2.194	4	117.4555	2.194	4	117.4555	2.194	4	117.4555	2.194	4
643	371	971	0:SP2_SP-NON_SP2	C[6a]	N[6a]	I	3:2:3:	3:3:	3:1:1:	C[6a]-3:N[6a]-2:I-3:	C[6a]-3:C[6a]-3:	C[6a]-3:O-1:O-1:	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(IOO)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]I)	I(C[6a]C[6a]N[6a])(O)2	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(IOO){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]I){1|C<3>,1|H<1>,1|O<2>}	I(C[6a]C[6a]N[6a])(O)2	117.6483	1.752	3	117.6483	3.068	3	117.4555	2.194	4	117.4555	2.194	4	117.4555	2.194	4	117.4555	2.194	4
643	371	977	0:SP2_SP-NON_SP2	C[6a]	N[6a]	S	2:2:1:	3:3:	3:	N[6a]-2:N[6a]-2:S-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a])2(S)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]S)	S(C[6a]N[6a]2)	C[6a](N[6a]C[6a])2(S){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]S){1|C<3>,1|H<1>}	S(C[6a]N[6a]2)	123.5490	0.000	1	123.5490	0.000	1	122.2920	6.404	5	122.2920	6.404	5	122.0140	5.485	9	122.0140	5.485	9
643	371	977	0:SP2_SP-NON_SP2	C[6a]	N[6a]	S	2:2:1:	3:3:	3:	N[6a]-2:N[6a]-2:S-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a])2(S)	N[6a](C[6a]N[6a]S)2	S(C[6a]N[6a]2)	C[6a](N[6a]C[6a])2(S){1|N<2>,1|S<1>,1|S<2>}	N[6a](C[6a]N[6a]S)2{1|C<3>}	S(C[6a]N[6a]2)	121.9778	2.807	4	121.9778	7.880	4	122.2920	6.404	5	122.2920	6.404	5	122.0140	5.485	9	122.0140	5.485	9
643	371	977	0:SP2_SP-NON_SP2	C[6a]	N[6a]	S	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:S-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(S)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]S)	S(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(S){1|C<4>,2|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]S){1|C<2>,2|C<3>}	S(C[6a]C[6a]N[6a])	119.0730	0.000	1	119.0730	0.000	1	119.0730	0.000	1	121.6665	5.799	4	122.0140	5.485	9	122.0140	5.485	9
643	371	977	0:SP2_SP-NON_SP2	C[6a]	N[6a]	S	3:2:1:	3:3:	3:	N[5,6a]-3:N[6a]-2:S-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5,6a]C[5,6a]C[5])(N[6a]C[6a])(S)	N[6a](C[6a]C[6a]N[6a])(C[6a]N[5,6a]S)	S(C[6a]N[5,6a]N[6a])	C[6a](N[5,6a]C[5,6a]C[5])(N[6a]C[6a])(S){1|H<1>,1|N<2>,1|S<2>,2|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]N[5,6a]S){4|C<3>}	S(C[6a]N[5,6a]N[6a])	124.8980	0.000	1	124.8980	0.000	1	124.8980	0.000	1	121.6665	5.799	4	122.0140	5.485	9	122.0140	5.485	9
643	371	977	0:SP2_SP-NON_SP2	C[6a]	N[6a]	S	3:2:1:	3:3:	3:	N[6a]-3:N[6a]-2:S-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(S)	N[6a](C[6a]C[6a]2)(C[6a]N[6a]S)	S(C[6a]N[6a]2)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(S){1|O<1>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]N[6a]S){1|C<2>,1|H<1>,3|C<3>}	S(C[6a]N[6a]2)	121.4570	0.000	1	121.4570	0.000	1	121.3475	0.024	2	121.6665	5.799	4	122.0140	5.485	9	122.0140	5.485	9
643	371	977	0:SP2_SP-NON_SP2	C[6a]	N[6a]	S	3:2:1:	3:3:	3:	N[6a]-3:N[6a]-2:S-1:	C[6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(S)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]S)	S(C[6a]N[6a]2)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(S){1|C<3>,1|C<4>,1|O<1>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]S){1|C<3>,2|H<1>}	S(C[6a]N[6a]2)	121.2380	0.000	1	121.2380	0.000	1	121.3475	0.024	2	121.6665	5.799	4	122.0140	5.485	9	122.0140	5.485	9
643	371	983	0:SP2_SP1_SP2	C[6a]	N[6a]	C	2:2:2:	3:2:	3:1:	N[6a]-2:N[6a]-2:C-2:	C[6a]-3:N[6a]-2:	C[6a]-3:N-1:	C[6a](N[6a]N[6a])2(CN)	N[6a](C[6a]N[6a]C)(N[6a]C[6a])	C(C[6a]N[6a]2)(N)	C[6a](N[6a]N[6a])2(CN){1|C<3>}	N[6a](C[6a]N[6a]C)(N[6a]C[6a]){1|C<2>,1|N<2>}	C(C[6a]N[6a]2)(N)	115.9510	0.000	1	115.9510	0.000	1	115.9510	0.000	1	115.9510	0.000	1	116.6683	2.549	505	116.6683	2.549	505
643	371	983	0:SP2_SP1_SP2	C[6a]	N[6a]	C	2:2:2:	3:3:	3:1:	N[6a]-2:N[6a]-2:C-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](N[6a]C[6a])2(CN)	N[6a](C[6a]N[6a]C)2	C(C[6a]N[6a]2)(N)	C[6a](N[6a]C[6a])2(CN){1|N<2>,2|C<2>}	N[6a](C[6a]N[6a]C)2{1|C<3>}	C(C[6a]N[6a]2)(N)	116.3095	2.221	102	116.3095	4.935	102	116.3095	4.935	102	116.3095	4.935	102	116.6683	2.549	505	116.6683	2.549	505
643	371	983	0:SP2_SP1_SP2	C[6a]	N[6a]	C	2:2:2:	3:3:	3:2:	N[6a]-2:N[6a]-2:C-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](N[6a]C[6a])2(CC)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]C)	C(C[6a]N[6a]2)(CC[6a])	C[6a](N[6a]C[6a])2(CC){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]C){1|C<3>,1|H<1>}	C(C[6a]N[6a]2)(CC[6a])	117.0978	0.767	12	117.0978	0.588	12	117.1865	0.732	23	117.1865	0.732	23	116.6683	2.549	505	116.6683	2.549	505
643	371	983	0:SP2_SP1_SP2	C[6a]	N[6a]	C	2:2:2:	3:3:	3:2:	N[6a]-2:N[6a]-2:C-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](N[6a]C[6a])2(CC)	N[6a](C[6a]N[6a]C)2	C(C[6a]N[6a]2)(CH)	C[6a](N[6a]C[6a])2(CC){1|N<2>,2|C<2>}	N[6a](C[6a]N[6a]C)2{1|C<3>}	C(C[6a]N[6a]2)(CH)	117.0907	0.106	3	117.0907	0.011	3	117.1865	0.732	23	117.1865	0.732	23	116.6683	2.549	505	116.6683	2.549	505
643	371	983	0:SP2_SP1_SP2	C[6a]	N[6a]	C	2:2:2:	3:3:	3:2:	N[6a]-2:N[6a]-2:C-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](N[6a]C[6a])2(CC)	N[6a](C[6a]N[6a]C)2	C(C[6a]N[6a]2)(CSi)	C[6a](N[6a]C[6a])2(CC){1|N<2>,2|C<2>}	N[6a](C[6a]N[6a]C)2{1|C<3>}	C(C[6a]N[6a]2)(CSi)	117.0730	1.168	6	117.0730	1.363	6	117.1865	0.732	23	117.1865	0.732	23	116.6683	2.549	505	116.6683	2.549	505
643	371	983	0:SP2_SP1_SP2	C[6a]	N[6a]	C	2:2:2:	3:3:	3:2:	N[6a]-2:N[6a]-2:C-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](N[6a]C[6a])2(CC)	N[6a](C[6a]N[6a]Cl)(C[6a]N[6a]C)	C(C[6a]N[6a]2)(CN)	C[6a](N[6a]C[6a])2(CC){2|Cl<1>,1|N<2>}	N[6a](C[6a]N[6a]Cl)(C[6a]N[6a]C){1|C<3>}	C(C[6a]N[6a]2)(CN)	118.2035	0.730	2	118.2035	0.534	2	117.1865	0.732	23	117.1865	0.732	23	116.6683	2.549	505	116.6683	2.549	505
643	371	983	0:SP2_SP1_SP2	C[6a]	N[6a]	C	2:3:2:	3:3:	3:1:	N[6a]-2:C[6a]-3:C-2:	C[5,6a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](N[6a]C[5,6a])(C[6a]N[6a]C)(CN)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(N)	C[6a](N[6a]C[5,6a])(C[6a]N[6a]C)(CN){1|C<3>,1|N<2>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C){1|Se<2>,1|C<2>,2|N<2>}	C(C[6a]C[6a]N[6a])(N)	118.2515	0.947	2	118.2515	0.896	2	117.9343	0.445	4	117.2239	1.107	96	116.6683	2.549	505	116.6683	2.549	505
643	371	983	0:SP2_SP1_SP2	C[6a]	N[6a]	C	2:3:2:	3:3:	3:1:	N[6a]-2:C[6a]-3:C-2:	C[5,6a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](N[6a]C[5,6a])(C[6a]N[6a]C)(CN)	N[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(N)	C[6a](N[6a]C[5,6a])(C[6a]N[6a]C)(CN){1|C<3>,1|S<2>}	N[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]C){1|C<2>,1|C<3>,1|N<2>,1|S<2>}	C(C[6a]C[6a]N[6a])(N)	117.6170	0.190	2	117.6170	0.036	2	117.9343	0.445	4	117.2239	1.107	96	116.6683	2.549	505	116.6683	2.549	505
643	371	983	0:SP2_SP1_SP2	C[6a]	N[6a]	C	2:3:2:	3:3:	3:1:	N[6a]-2:C[6a]-3:C-2:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](N[6a]C[5a,6a])(C[6a]N[6a]C)(CN)	N[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(N)	C[6a](N[6a]C[5a,6a])(C[6a]N[6a]C)(CN){1|C<3>,1|O<2>}	N[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]C){1|B<4>,1|C<2>,1|N<2>,1|O<2>}	C(C[6a]C[6a]N[6a])(N)	116.3328	0.275	4	116.3328	0.076	4	116.3328	0.076	4	117.2239	1.107	96	116.6683	2.549	505	116.6683	2.549	505
643	371	983	0:SP2_SP1_SP2	C[6a]	N[6a]	C	2:3:2:	3:3:	3:1:	N[6a]-2:C[6a]-3:C-2:	C[6,6,6a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](N[6a]C[6,6,6a])(C[6a]N[6a]C)(CN)	N[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(N)	C[6a](N[6a]C[6,6,6a])(C[6a]N[6a]C)(CN){1|C<3>,1|C<4>}	N[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]C){1|C<2>,1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C(C[6a]C[6a]N[6a])(N)	117.5220	0.587	2	117.5220	0.344	2	117.5220	0.344	2	117.2239	1.107	96	116.6683	2.549	505	116.6683	2.549	505
643	371	983	0:SP2_SP1_SP2	C[6a]	N[6a]	C	2:3:2:	3:3:	3:1:	N[6a]-2:C[6a]-3:C-2:	C[6,6a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](N[6a]C[6,6a])(C[6a]N[6a]C)(CN)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(N)	C[6a](N[6a]C[6,6a])(C[6a]N[6a]C)(CN){2|C<3>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C){1|C<2>,1|O<1>,3|N<2>}	C(C[6a]C[6a]N[6a])(N)	117.6740	0.000	1	117.6740	0.000	1	117.5025	0.532	4	117.2239	1.107	96	116.6683	2.549	505	116.6683	2.549	505
643	371	983	0:SP2_SP1_SP2	C[6a]	N[6a]	C	2:3:2:	3:3:	3:1:	N[6a]-2:C[6a]-3:C-2:	C[6,6a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](N[6a]C[6,6a])(C[6a]N[6a]C)(CN)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(N)	C[6a](N[6a]C[6,6a])(C[6a]N[6a]C)(CN){1|C<3>,1|N<2>}	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C){1|C<2>,1|N<2>,2|C<3>}	C(C[6a]C[6a]N[6a])(N)	118.4410	0.000	1	117.4453	0.778	3	117.5025	0.532	4	117.2239	1.107	96	116.6683	2.549	505	116.6683	2.549	505
643	371	983	0:SP2_SP1_SP2	C[6a]	N[6a]	C	2:3:2:	3:3:	3:1:	N[6a]-2:C[6a]-3:C-2:	C[6,6a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](N[6a]C[6,6a])(C[6a]N[6a]C)(CN)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(N)	C[6a](N[6a]C[6,6a])(C[6a]N[6a]C)(CN){1|C<3>,1|N<3>}	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]C){1|C<2>,1|C<3>,1|C<4>,1|N<2>,1|N<3>}	C(C[6a]C[6a]N[6a])(N)	116.9475	0.262	2	117.4453	0.778	3	117.5025	0.532	4	117.2239	1.107	96	116.6683	2.549	505	116.6683	2.549	505
643	371	983	0:SP2_SP1_SP2	C[6a]	N[6a]	C	2:3:2:	3:3:	3:1:	N[6a]-2:C[6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CN)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(N)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CN){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C(C[6a]C[6a]N[6a])(N)	115.9315	0.293	2	115.9315	0.086	2	117.2119	1.184	82	117.2239	1.107	96	116.6683	2.549	505	116.6683	2.549	505
643	371	983	0:SP2_SP1_SP2	C[6a]	N[6a]	C	2:3:2:	3:3:	3:1:	N[6a]-2:C[6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CN)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(N)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CN){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]C){1|C<2>,1|N<2>,3|C<3>}	C(C[6a]C[6a]N[6a])(N)	117.0526	0.482	8	117.0801	0.524	33	117.2119	1.184	82	117.2239	1.107	96	116.6683	2.549	505	116.6683	2.549	505
643	371	983	0:SP2_SP1_SP2	C[6a]	N[6a]	C	2:3:2:	3:3:	3:1:	N[6a]-2:C[6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CN)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(N)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CN){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]C){1|C<2>,2|C<3>,2|N<2>}	C(C[6a]C[6a]N[6a])(N)	117.0889	0.794	25	117.0801	0.524	33	117.2119	1.184	82	117.2239	1.107	96	116.6683	2.549	505	116.6683	2.549	505
643	371	983	0:SP2_SP1_SP2	C[6a]	N[6a]	C	2:3:2:	3:3:	3:1:	N[6a]-2:C[6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CN)	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(N)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CN){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]C){1|C<2>,1|N<2>,3|C<3>}	C(C[6a]C[6a]N[6a])(N)	117.9307	1.113	11	117.9307	1.238	11	117.2119	1.184	82	117.2239	1.107	96	116.6683	2.549	505	116.6683	2.549	505
643	371	983	0:SP2_SP1_SP2	C[6a]	N[6a]	C	2:3:2:	3:3:	3:1:	N[6a]-2:C[6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CN)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(N)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CN){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|C<2>,1|N<2>,1|O<1>,2|N<3>}	C(C[6a]C[6a]N[6a])(N)	116.7558	1.407	9	116.6907	1.802	10	117.2119	1.184	82	117.2239	1.107	96	116.6683	2.549	505	116.6683	2.549	505
643	371	983	0:SP2_SP1_SP2	C[6a]	N[6a]	C	2:3:2:	3:3:	3:1:	N[6a]-2:C[6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CN)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(N)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CN){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C(C[6a]C[6a]N[6a])(N)	116.1050	0.000	1	116.6907	1.802	10	117.2119	1.184	82	117.2239	1.107	96	116.6683	2.549	505	116.6683	2.549	505
643	371	983	0:SP2_SP1_SP2	C[6a]	N[6a]	C	2:3:2:	3:3:	3:1:	N[6a]-2:C[6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CN)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(N)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CN){1|C<3>,1|N<2>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C){1|C<2>,1|C<3>,2|N<2>}	C(C[6a]C[6a]N[6a])(N)	117.5111	1.111	13	117.2778	1.662	22	117.2119	1.184	82	117.2239	1.107	96	116.6683	2.549	505	116.6683	2.549	505
643	371	983	0:SP2_SP1_SP2	C[6a]	N[6a]	C	2:3:2:	3:3:	3:1:	N[6a]-2:C[6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CN)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(N)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CN){1|C<3>,1|N<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C){1|C<2>,1|H<1>,1|N<2>,2|C<3>}	C(C[6a]C[6a]N[6a])(N)	116.9408	1.515	9	117.2778	1.662	22	117.2119	1.184	82	117.2239	1.107	96	116.6683	2.549	505	116.6683	2.549	505
643	371	983	0:SP2_SP1_SP2	C[6a]	N[6a]	C	2:3:2:	3:3:	3:1:	N[6a]-2:C[6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(CN)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(N)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(CN){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|N<2>,2|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(N)	117.5200	0.000	1	117.5200	0.000	1	117.2119	1.184	82	117.2239	1.107	96	116.6683	2.549	505	116.6683	2.549	505
643	371	983	0:SP2_SP1_SP2	C[6a]	N[6a]	C	2:3:2:	3:3:	3:1:	N[6a]-2:C[6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(CN)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(N)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(CN){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]C){1|O<2>,2|C<3>,2|N<2>}	C(C[6a]C[6a]N[6a])(N)	118.0307	0.753	3	118.0307	0.568	3	117.2119	1.184	82	117.2239	1.107	96	116.6683	2.549	505	116.6683	2.549	505
643	371	983	0:SP2_SP1_SP2	C[6a]	N[6a]	C	2:3:2:	3:3:	3:2:	N[6a]-2:C[6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CC)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(CC[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CC){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C(C[6a]C[6a]N[6a])(CC[6a])	118.0867	0.379	3	118.0867	0.144	3	118.0344	0.499	8	118.0344	0.499	8	116.6683	2.549	505	116.6683	2.549	505
643	371	983	0:SP2_SP1_SP2	C[6a]	N[6a]	C	2:3:2:	3:3:	3:2:	N[6a]-2:C[6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CC)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(CC[5a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CC){1|C<3>,1|H<1>,1|N<2>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C){1|H<1>,3|C<3>}	C(C[6a]C[6a]N[6a])(CC[5a])	117.4770	0.400	2	117.4770	0.160	2	118.0344	0.499	8	118.0344	0.499	8	116.6683	2.549	505	116.6683	2.549	505
643	371	983	0:SP2_SP1_SP2	C[6a]	N[6a]	C	2:3:2:	3:3:	3:2:	N[6a]-2:C[6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CC)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(CH)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CC){1|C<3>,1|H<1>,1|N<2>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C){1|H<1>,3|C<3>}	C(C[6a]C[6a]N[6a])(CH)	117.1710	0.000	1	117.1710	0.000	1	118.0344	0.499	8	118.0344	0.499	8	116.6683	2.549	505	116.6683	2.549	505
643	371	983	0:SP2_SP1_SP2	C[6a]	N[6a]	C	2:3:2:	3:3:	3:2:	N[6a]-2:C[6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CC)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(CC[5a])	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CC){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|C<2>,1|H<1>,1|N<2>,2|C<3>}	C(C[6a]C[6a]N[6a])(CC[5a])	118.8750	0.000	1	118.8750	0.000	1	118.0344	0.499	8	118.0344	0.499	8	116.6683	2.549	505	116.6683	2.549	505
643	371	983	0:SP2_SP1_SP2	C[6a]	N[6a]	C	2:3:2:	3:3:	3:2:	N[6a]-2:C[6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CC)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(CC[6a])	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CC){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|C<2>,1|H<1>,1|N<2>,2|C<3>}	C(C[6a]C[6a]N[6a])(CC[6a])	119.0150	0.000	1	119.0150	0.000	1	118.0344	0.499	8	118.0344	0.499	8	116.6683	2.549	505	116.6683	2.549	505
643	371	983	0:SP2_SP1_SP2	C[6a]	N[6a]	C	3:2:2:	2:3:	3:1:	C[6a]-3:N[6a]-2:C-2:	N[6a]-2:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[6a]N[5a,6a]N)(N[6a]N[6a])(CN)	N[6a](N[6a]C[5a,6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(N)	C[6a](C[6a]N[5a,6a]N)(N[6a]N[6a])(CN){1|C<3>,1|N<2>}	N[6a](N[6a]C[5a,6a])(C[6a]C[6a]C){1|N<2>,2|N<3>}	C(C[6a]C[6a]N[6a])(N)	115.2840	0.000	1	115.2840	0.000	1	115.2840	0.000	1	115.2840	0.000	1	116.6683	2.549	505	116.6683	2.549	505
643	371	983	0:SP2_SP1_SP2	C[6a]	N[6a]	C	3:2:2:	3:2:	3:1:	C[6a]-3:N[6a]-2:C-2:	C[6a]-3:N[6a]-2:	C[6a]-3:N-1:	C[6a](C[6a]N[6a]N)(N[6a]N[6a])(CN)	N[6a](C[6a]C[6a]C)(N[6a]C[6a])	C(C[6a]C[6a]N[6a])(N)	C[6a](C[6a]N[6a]N)(N[6a]N[6a])(CN){1|C<3>}	N[6a](C[6a]C[6a]C)(N[6a]C[6a]){1|N<3>,2|N<2>}	C(C[6a]C[6a]N[6a])(N)	116.8240	0.140	2	116.8240	0.020	2	116.8240	0.020	2	116.8240	0.020	2	116.6683	2.549	505	116.6683	2.549	505
643	371	983	0:SP2_SP1_SP2	C[6a]	N[6a]	C	3:2:2:	3:2:	3:2:	C[6a]-3:N[6a]-2:C-2:	C[6a]-3:N[6a]-2:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(CC)	N[6a](C[6a]C[6a]C)(N[6a]C[6a])	C(C[6a]C[6a]N[6a])(CC)	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(CC){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]C)(N[6a]C[6a]){1|C<2>,1|C<3>,1|H<1>}	C(C[6a]C[6a]N[6a])(CC)	115.0703	0.204	4	115.0703	0.042	4	115.3328	0.376	5	115.3328	0.376	5	116.6683	2.549	505	116.6683	2.549	505
643	371	983	0:SP2_SP1_SP2	C[6a]	N[6a]	C	3:2:2:	3:2:	3:2:	C[6a]-3:N[6a]-2:C-2:	C[6a]-3:N[6a]-2:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(CC)	N[6a](C[6a]C[6a]C)(N[6a]C[6a])	C(C[6a]C[6a]N[6a])(CC[6a])	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(CC){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]C)(N[6a]C[6a]){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]N[6a])(CC[6a])	116.3830	0.000	1	116.3830	0.000	1	115.3328	0.376	5	115.3328	0.376	5	116.6683	2.549	505	116.6683	2.549	505
643	371	983	0:SP2_SP1_SP2	C[6a]	N[6a]	C	3:2:2:	3:3:	3:1:	C[5a,6a]-3:N[6a]-2:C-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(CN)	N[6a](C[6a]C[5a,6a]C)(C[6a]N[6a]H)	C(C[6a]C[5a,6a]N[6a])(N)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(CN){1|C<3>,1|C<4>,1|H<1>,2|N<2>}	N[6a](C[6a]C[5a,6a]C)(C[6a]N[6a]H){1|C<3>,1|N<3>}	C(C[6a]C[5a,6a]N[6a])(N)	117.1630	0.000	1	117.1630	0.000	1	117.1630	0.000	1	116.1778	2.845	104	116.6683	2.549	505	116.6683	2.549	505
643	371	983	0:SP2_SP1_SP2	C[6a]	N[6a]	C	3:2:2:	3:3:	3:1:	C[6a]-3:N[6a]-2:C-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[6a]C[5,6a]C[6a])(N[6a]C[6a])(CN)	N[6a](C[6a]C[5,6a]C[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(N)	C[6a](C[6a]C[5,6a]C[6a])(N[6a]C[6a])(CN){1|C<4>,4|C<3>}	N[6a](C[6a]C[5,6a]C[6a])(C[6a]C[6a]C){1|C<4>,1|N<2>,3|C<3>}	C(C[6a]C[6a]N[6a])(N)	113.5570	0.000	1	113.5570	0.000	1	116.1683	2.863	103	116.1778	2.845	104	116.6683	2.549	505	116.6683	2.549	505
643	371	983	0:SP2_SP1_SP2	C[6a]	N[6a]	C	3:2:2:	3:3:	3:1:	C[6a]-3:N[6a]-2:C-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a])(CN)	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(N)	C[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a])(CN){5|C<3>}	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|N<2>,4|C<3>}	C(C[6a]C[6a]N[6a])(N)	112.8500	0.000	1	112.8500	0.000	1	116.1683	2.863	103	116.1778	2.845	104	116.6683	2.549	505	116.6683	2.549	505
643	371	983	0:SP2_SP1_SP2	C[6a]	N[6a]	C	3:2:2:	3:3:	3:1:	C[6a]-3:N[6a]-2:C-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(CN)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(N)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(CN){1|N<3>,4|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){1|N<2>,4|C<3>}	C(C[6a]C[6a]N[6a])(N)	115.7900	0.000	1	114.9785	1.317	2	116.1683	2.863	103	116.1778	2.845	104	116.6683	2.549	505	116.6683	2.549	505
643	371	983	0:SP2_SP1_SP2	C[6a]	N[6a]	C	3:2:2:	3:3:	3:1:	C[6a]-3:N[6a]-2:C-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(CN)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(N)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(CN){1|N<3>,4|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){5|C<3>}	C(C[6a]C[6a]N[6a])(N)	114.1670	0.000	1	114.9785	1.317	2	116.1683	2.863	103	116.1778	2.845	104	116.6683	2.549	505	116.6683	2.549	505
643	371	983	0:SP2_SP1_SP2	C[6a]	N[6a]	C	3:2:2:	3:3:	3:1:	C[6a]-3:N[6a]-2:C-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(CN)	N[6a](C[6a]C[6a]C)2	C(C[6a]C[6a]N[6a])(N)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(CN){1|C<2>,1|H<1>,1|N<2>,2|C<3>}	N[6a](C[6a]C[6a]C)2{1|H<1>,2|C<3>}	C(C[6a]C[6a]N[6a])(N)	111.4573	0.421	4	111.4573	0.178	4	116.1683	2.863	103	116.1778	2.845	104	116.6683	2.549	505	116.6683	2.549	505
643	371	983	0:SP2_SP1_SP2	C[6a]	N[6a]	C	3:2:2:	3:3:	3:1:	C[6a]-3:N[6a]-2:C-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(CN)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(N)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(CN){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|H<1>}	C(C[6a]C[6a]N[6a])(N)	115.3690	0.000	1	115.3690	0.000	1	116.1683	2.863	103	116.1778	2.845	104	116.6683	2.549	505	116.6683	2.549	505
643	371	983	0:SP2_SP1_SP2	C[6a]	N[6a]	C	3:2:2:	3:3:	3:1:	C[6a]-3:N[6a]-2:C-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CN)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(N)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CN){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]N[6a])(N)	114.9140	0.000	1	114.9140	0.000	1	116.1683	2.863	103	116.1778	2.845	104	116.6683	2.549	505	116.6683	2.549	505
643	371	983	0:SP2_SP1_SP2	C[6a]	N[6a]	C	3:2:2:	3:3:	3:1:	C[6a]-3:N[6a]-2:C-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CN)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(N)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CN){1|C<3>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C){1|C<2>,3|C<3>}	C(C[6a]C[6a]N[6a])(N)	115.9880	0.000	1	115.9880	0.000	1	116.1683	2.863	103	116.1778	2.845	104	116.6683	2.549	505	116.6683	2.549	505
643	371	983	0:SP2_SP1_SP2	C[6a]	N[6a]	C	3:2:2:	3:3:	3:1:	C[6a]-3:N[6a]-2:C-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){1|H<1>,1|N<2>,3|C<3>}	C(C[6a]C[6a]N[6a])(N)	115.1250	0.074	2	115.2943	0.170	6	116.1683	2.863	103	116.1778	2.845	104	116.6683	2.549	505	116.6683	2.549	505
643	371	983	0:SP2_SP1_SP2	C[6a]	N[6a]	C	3:2:2:	3:3:	3:1:	C[6a]-3:N[6a]-2:C-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){1|N<2>,2|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(N)	114.9465	0.066	2	115.2943	0.170	6	116.1683	2.863	103	116.1778	2.845	104	116.6683	2.549	505	116.6683	2.549	505
643	371	983	0:SP2_SP1_SP2	C[6a]	N[6a]	C	3:2:2:	3:3:	3:1:	C[6a]-3:N[6a]-2:C-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){2|H<1>,3|C<3>}	C(C[6a]C[6a]N[6a])(N)	115.8115	0.062	2	115.2943	0.170	6	116.1683	2.863	103	116.1778	2.845	104	116.6683	2.549	505	116.6683	2.549	505
643	371	983	0:SP2_SP1_SP2	C[6a]	N[6a]	C	3:2:2:	3:3:	3:1:	C[6a]-3:N[6a]-2:C-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(N)	115.8655	0.155	2	115.5976	0.563	7	116.1683	2.863	103	116.1778	2.845	104	116.6683	2.549	505	116.6683	2.549	505
643	371	983	0:SP2_SP1_SP2	C[6a]	N[6a]	C	3:2:2:	3:3:	3:1:	C[6a]-3:N[6a]-2:C-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<2>}	C(C[6a]C[6a]N[6a])(N)	114.9850	0.000	1	115.5976	0.563	7	116.1683	2.863	103	116.1778	2.845	104	116.6683	2.549	505	116.6683	2.549	505
643	371	983	0:SP2_SP1_SP2	C[6a]	N[6a]	C	3:2:2:	3:3:	3:1:	C[6a]-3:N[6a]-2:C-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<3>}	C(C[6a]C[6a]N[6a])(N)	114.3410	0.000	1	115.5976	0.563	7	116.1683	2.863	103	116.1778	2.845	104	116.6683	2.549	505	116.6683	2.549	505
643	371	983	0:SP2_SP1_SP2	C[6a]	N[6a]	C	3:2:2:	3:3:	3:1:	C[6a]-3:N[6a]-2:C-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|H<1>,2|C<3>}	C(C[6a]C[6a]N[6a])(N)	115.7100	0.000	2	115.5976	0.563	7	116.1683	2.863	103	116.1778	2.845	104	116.6683	2.549	505	116.6683	2.549	505
643	371	983	0:SP2_SP1_SP2	C[6a]	N[6a]	C	3:2:2:	3:3:	3:1:	C[6a]-3:N[6a]-2:C-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN){1|Cl<1>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(N)	116.7060	0.000	1	115.5976	0.563	7	116.1683	2.863	103	116.1778	2.845	104	116.6683	2.549	505	116.6683	2.549	505
643	371	983	0:SP2_SP1_SP2	C[6a]	N[6a]	C	3:2:2:	3:3:	3:1:	C[6a]-3:N[6a]-2:C-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN)	N[6a](C[6a]C[6a]C)2	C(C[6a]C[6a]N[6a])(N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN){1|C<2>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]C)2{1|H<1>,2|C<3>}	C(C[6a]C[6a]N[6a])(N)	115.6110	0.558	4	115.4423	0.492	6	116.1683	2.863	103	116.1778	2.845	104	116.6683	2.549	505	116.6683	2.549	505
643	371	983	0:SP2_SP1_SP2	C[6a]	N[6a]	C	3:2:2:	3:3:	3:1:	C[6a]-3:N[6a]-2:C-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN)	N[6a](C[6a]C[6a]C)2	C(C[6a]C[6a]N[6a])(N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(N)	115.1050	1.089	2	115.4423	0.492	6	116.1683	2.863	103	116.1778	2.845	104	116.6683	2.549	505	116.6683	2.549	505
643	371	983	0:SP2_SP1_SP2	C[6a]	N[6a]	C	3:2:2:	3:3:	3:1:	C[6a]-3:N[6a]-2:C-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN)	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN){1|Cl<1>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(N)	113.9360	0.000	1	113.9360	0.000	1	116.1683	2.863	103	116.1778	2.845	104	116.6683	2.549	505	116.6683	2.549	505
643	371	983	0:SP2_SP1_SP2	C[6a]	N[6a]	C	3:2:2:	3:3:	3:1:	C[6a]-3:N[6a]-2:C-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CN)	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(N)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CN){2|C<3>}	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]C){1|C<2>,1|N<2>,1|N<3>,2|C<3>}	C(C[6a]C[6a]N[6a])(N)	117.0238	0.083	4	117.2193	0.098	6	116.1683	2.863	103	116.1778	2.845	104	116.6683	2.549	505	116.6683	2.549	505
643	371	983	0:SP2_SP1_SP2	C[6a]	N[6a]	C	3:2:2:	3:3:	3:1:	C[6a]-3:N[6a]-2:C-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CN)	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(N)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CN){2|C<3>}	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]C){1|C<2>,1|N<2>,1|S<2>,2|C<3>}	C(C[6a]C[6a]N[6a])(N)	117.6105	0.103	2	117.2193	0.098	6	116.1683	2.863	103	116.1778	2.845	104	116.6683	2.549	505	116.6683	2.549	505
643	371	983	0:SP2_SP1_SP2	C[6a]	N[6a]	C	3:2:2:	3:3:	3:1:	C[6a]-3:N[6a]-2:C-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CN)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(N)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CN){2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){1|C<2>,1|N<2>,3|C<3>}	C(C[6a]C[6a]N[6a])(N)	117.0452	0.873	8	117.4186	0.684	18	116.1683	2.863	103	116.1778	2.845	104	116.6683	2.549	505	116.6683	2.549	505
643	371	983	0:SP2_SP1_SP2	C[6a]	N[6a]	C	3:2:2:	3:3:	3:1:	C[6a]-3:N[6a]-2:C-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CN)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(N)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CN){2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){1|C<2>,2|C<3>,2|N<2>}	C(C[6a]C[6a]N[6a])(N)	117.7173	0.691	10	117.4186	0.684	18	116.1683	2.863	103	116.1778	2.845	104	116.6683	2.549	505	116.6683	2.549	505
643	371	983	0:SP2_SP1_SP2	C[6a]	N[6a]	C	3:2:2:	3:3:	3:1:	C[6a]-3:N[6a]-2:C-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CN)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)	C(C[6a]C[6a]N[6a])(N)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CN){1|C<3>,1|O<2>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O){1|C<2>,1|N<2>,1|O<2>}	C(C[6a]C[6a]N[6a])(N)	117.4410	0.000	1	117.4410	0.000	1	116.1683	2.863	103	116.1778	2.845	104	116.6683	2.549	505	116.6683	2.549	505
643	371	983	0:SP2_SP1_SP2	C[6a]	N[6a]	C	3:2:2:	3:3:	3:1:	C[6a]-3:N[6a]-2:C-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CN)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]S)	C(C[6a]C[6a]N[6a])(N)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CN){1|C<3>,1|S<2>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]S){1|C<2>,1|N<2>,1|S<2>}	C(C[6a]C[6a]N[6a])(N)	116.9924	0.652	7	116.9924	0.426	7	116.1683	2.863	103	116.1778	2.845	104	116.6683	2.549	505	116.6683	2.549	505
643	371	983	0:SP2_SP1_SP2	C[6a]	N[6a]	C	3:2:2:	3:3:	3:1:	C[6a]-3:N[6a]-2:C-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CN)	N[6a](C[6a]C[6a]C)2	C(C[6a]C[6a]N[6a])(N)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CN){1|C<2>,1|C<3>}	N[6a](C[6a]C[6a]C)2{1|N<2>,2|C<2>}	C(C[6a]C[6a]N[6a])(N)	116.8464	0.600	20	117.0681	0.576	24	116.1683	2.863	103	116.1778	2.845	104	116.6683	2.549	505	116.6683	2.549	505
643	371	983	0:SP2_SP1_SP2	C[6a]	N[6a]	C	3:2:2:	3:3:	3:1:	C[6a]-3:N[6a]-2:C-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CN)	N[6a](C[6a]C[6a]C)2	C(C[6a]C[6a]N[6a])(N)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CN){1|C<3>,1|C<4>}	N[6a](C[6a]C[6a]C)2{1|C<2>,1|C<4>,1|N<2>}	C(C[6a]C[6a]N[6a])(N)	118.1767	0.412	4	117.0681	0.576	24	116.1683	2.863	103	116.1778	2.845	104	116.6683	2.549	505	116.6683	2.549	505
643	371	983	0:SP2_SP1_SP2	C[6a]	N[6a]	C	3:2:2:	3:3:	3:1:	C[6a]-3:N[6a]-2:C-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CN)	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(N)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CN){2|C<3>}	N[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C){1|C<2>,1|N<2>,1|N<3>,2|C<3>}	C(C[6a]C[6a]N[6a])(N)	117.8455	0.463	2	117.8455	0.215	2	116.1683	2.863	103	116.1778	2.845	104	116.6683	2.549	505	116.6683	2.549	505
643	371	983	0:SP2_SP1_SP2	C[6a]	N[6a]	C	3:2:2:	3:3:	3:1:	C[6a]-3:N[6a]-2:C-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[6a]N[6a]Cl)(N[6a]C[6a])(CN)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(N)	C[6a](C[6a]N[6a]Cl)(N[6a]C[6a])(CN){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|Cl<1>,1|N<2>,1|N<3>}	C(C[6a]C[6a]N[6a])(N)	116.4040	0.000	1	116.4040	0.000	1	116.1683	2.863	103	116.1778	2.845	104	116.6683	2.549	505	116.6683	2.549	505
643	371	983	0:SP2_SP1_SP2	C[6a]	N[6a]	C	3:2:2:	3:3:	3:1:	C[6a]-3:N[6a]-2:C-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CN)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(N)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CN){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|N<2>,2|H<1>}	C(C[6a]C[6a]N[6a])(N)	116.2970	0.637	3	116.2970	0.406	3	116.1683	2.863	103	116.1778	2.845	104	116.6683	2.549	505	116.6683	2.549	505
643	371	983	0:SP2_SP1_SP2	C[6a]	N[6a]	C	3:2:2:	3:3:	3:1:	C[6a]-3:N[6a]-2:C-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(CN)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N)	C(C[6a]C[6a]N[6a])(N)	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(CN){1|C<3>,1|N<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N){1|C<2>,1|N<2>,1|N<3>}	C(C[6a]C[6a]N[6a])(N)	114.3012	1.932	9	114.3012	3.731	9	116.1683	2.863	103	116.1778	2.845	104	116.6683	2.549	505	116.6683	2.549	505
643	371	983	0:SP2_SP1_SP2	C[6a]	N[6a]	C	3:2:2:	3:3:	3:1:	C[6a]-3:N[6a]-2:C-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[6a]N[6a]S)(N[6a]C[6a])(CN)	N[6a](C[6a]C[6a]C)2	C(C[6a]C[6a]N[6a])(N)	C[6a](C[6a]N[6a]S)(N[6a]C[6a])(CN){1|C<2>,1|C<3>}	N[6a](C[6a]C[6a]C)2{1|N<2>,2|S<2>}	C(C[6a]C[6a]N[6a])(N)	116.7590	0.000	1	116.7590	0.000	1	116.1683	2.863	103	116.1778	2.845	104	116.6683	2.549	505	116.6683	2.549	505
643	371	983	0:SP2_SP1_SP2	C[6a]	N[6a]	C	3:2:2:	3:3:	3:2:	C[5a,6a]-3:N[6a]-2:C-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(CC)	N[6a](C[6a]C[5a,6a]C)(C[6a]N[6a]H)	C(C[6a]C[5a,6a]N[6a])(CH)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(CC){1|C<3>,1|C<4>,1|H<1>,2|N<2>}	N[6a](C[6a]C[5a,6a]C)(C[6a]N[6a]H){1|C<3>,1|N<3>}	C(C[6a]C[5a,6a]N[6a])(CH)	118.1660	0.000	1	118.1660	0.000	1	117.7407	0.251	3	116.7904	1.631	163	116.6683	2.549	505	116.6683	2.549	505
643	371	983	0:SP2_SP1_SP2	C[6a]	N[6a]	C	3:2:2:	3:3:	3:2:	C[5a,6a]-3:N[6a]-2:C-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(CC)	N[6a](C[6a]C[5a,6a]C)(C[6a]N[6a]N)	C(C[6a]C[5a,6a]N[6a])(CH)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(CC){1|C<3>,1|C<4>,1|N<3>,2|N<2>}	N[6a](C[6a]C[5a,6a]C)(C[6a]N[6a]N){1|C<3>,1|N<3>}	C(C[6a]C[5a,6a]N[6a])(CH)	117.5280	0.481	2	117.5280	0.231	2	117.7407	0.251	3	116.7904	1.631	163	116.6683	2.549	505	116.6683	2.549	505
643	371	983	0:SP2_SP1_SP2	C[6a]	N[6a]	C	3:2:2:	3:3:	3:2:	C[6a]-3:N[6a]-2:C-2:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6a]C[5a]N[6a])(N[6a]C[6a,6a])(CC)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(CC[6a])	C[6a](C[6a]C[5a]N[6a])(N[6a]C[6a,6a])(CC){1|N<3>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|N<2>,3|C<3>}	C(C[6a]C[6a]N[6a])(CC[6a])	116.6880	0.000	1	115.9682	0.290	4	116.1374	0.360	5	116.7904	1.631	163	116.6683	2.549	505	116.6683	2.549	505
643	371	983	0:SP2_SP1_SP2	C[6a]	N[6a]	C	3:2:2:	3:3:	3:2:	C[6a]-3:N[6a]-2:C-2:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6a]C[5a]N[6a])(N[6a]C[6a,6a])(CC)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(CC[6a])	C[6a](C[6a]C[5a]N[6a])(N[6a]C[6a,6a])(CC){1|S<2>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|N<2>,3|C<3>}	C(C[6a]C[6a]N[6a])(CC[6a])	115.9940	0.000	1	115.9682	0.290	4	116.1374	0.360	5	116.7904	1.631	163	116.6683	2.549	505	116.6683	2.549	505
643	371	983	0:SP2_SP1_SP2	C[6a]	N[6a]	C	3:2:2:	3:3:	3:2:	C[6a]-3:N[6a]-2:C-2:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6a]C[5a]N[6a])(N[6a]C[6a,6a])(CC)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(CC[6a])	C[6a](C[6a]C[5a]N[6a])(N[6a]C[6a,6a])(CC){4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|N<2>,3|C<3>}	C(C[6a]C[6a]N[6a])(CC[6a])	115.5955	0.269	2	115.9682	0.290	4	116.1374	0.360	5	116.7904	1.631	163	116.6683	2.549	505	116.6683	2.549	505
643	371	983	0:SP2_SP1_SP2	C[6a]	N[6a]	C	3:2:2:	3:3:	3:2:	C[6a]-3:N[6a]-2:C-2:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(CC)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(CC[6a])	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(CC){4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|N<2>,3|C<3>}	C(C[6a]C[6a]N[6a])(CC[6a])	116.8140	0.000	1	116.8140	0.000	1	116.1374	0.360	5	116.7904	1.631	163	116.6683	2.549	505	116.6683	2.549	505
643	371	983	0:SP2_SP1_SP2	C[6a]	N[6a]	C	3:2:2:	3:3:	3:2:	C[6a]-3:N[6a]-2:C-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6a]C[6a,6a]C)(N[6a]C[6a])(CC)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(CC)	C[6a](C[6a]C[6a,6a]C)(N[6a]C[6a])(CC){1|O<2>,2|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C){1|C<4>,2|C<3>}	C(C[6a]C[6a]N[6a])(CC)	115.0950	0.000	1	115.0950	0.000	1	116.7930	1.672	155	116.7904	1.631	163	116.6683	2.549	505	116.6683	2.549	505
643	371	983	0:SP2_SP1_SP2	C[6a]	N[6a]	C	3:2:2:	3:3:	3:2:	C[6a]-3:N[6a]-2:C-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a])(CC)	N[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(CC[6a])	C[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a])(CC){1|C<4>,4|C<3>}	N[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]C){3|C<3>}	C(C[6a]C[6a]N[6a])(CC[6a])	114.5530	0.000	1	114.5530	0.000	1	116.7930	1.672	155	116.7904	1.631	163	116.6683	2.549	505	116.6683	2.549	505
643	371	983	0:SP2_SP1_SP2	C[6a]	N[6a]	C	3:2:2:	3:3:	3:2:	C[6a]-3:N[6a]-2:C-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CC)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(CC[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CC){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<2>,1|C<3>,1|H<1>}	C(C[6a]C[6a]N[6a])(CC[6a])	116.3610	0.041	2	116.3610	0.002	2	116.7930	1.672	155	116.7904	1.631	163	116.6683	2.549	505	116.6683	2.549	505
643	371	983	0:SP2_SP1_SP2	C[6a]	N[6a]	C	3:2:2:	3:3:	3:2:	C[6a]-3:N[6a]-2:C-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(CC[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){1|N<2>,2|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(CC[6a])	116.1935	0.657	2	116.1935	0.432	2	116.7930	1.672	155	116.7904	1.631	163	116.6683	2.549	505	116.6683	2.549	505
643	371	983	0:SP2_SP1_SP2	C[6a]	N[6a]	C	3:2:2:	3:3:	3:2:	C[6a]-3:N[6a]-2:C-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(CFe)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){1|N<2>,2|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(CFe)	116.7860	0.000	1	116.7860	0.000	1	116.7930	1.672	155	116.7904	1.631	163	116.6683	2.549	505	116.6683	2.549	505
643	371	983	0:SP2_SP1_SP2	C[6a]	N[6a]	C	3:2:2:	3:3:	3:2:	C[6a]-3:N[6a]-2:C-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(CPt)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){1|N<2>,2|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(CPt)	116.2675	0.210	2	116.2675	0.044	2	116.7930	1.672	155	116.7904	1.631	163	116.6683	2.549	505	116.6683	2.549	505
643	371	983	0:SP2_SP1_SP2	C[6a]	N[6a]	C	3:2:2:	3:3:	3:2:	C[6a]-3:N[6a]-2:C-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(CSi)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]C){1|N<2>,2|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(CSi)	117.1822	0.581	4	117.1822	0.338	4	116.7930	1.672	155	116.7904	1.631	163	116.6683	2.549	505	116.6683	2.549	505
643	371	983	0:SP2_SP1_SP2	C[6a]	N[6a]	C	3:2:2:	3:3:	3:2:	C[6a]-3:N[6a]-2:C-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(CC)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<2>,1|C<3>,1|H<1>}	C(C[6a]C[6a]N[6a])(CC)	117.3150	0.000	1	117.2860	0.086	3	116.7930	1.672	155	116.7904	1.631	163	116.6683	2.549	505	116.6683	2.549	505
643	371	983	0:SP2_SP1_SP2	C[6a]	N[6a]	C	3:2:2:	3:3:	3:2:	C[6a]-3:N[6a]-2:C-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(CC)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(CC)	117.2715	0.412	2	117.2860	0.086	3	116.7930	1.672	155	116.7904	1.631	163	116.6683	2.549	505	116.6683	2.549	505
643	371	983	0:SP2_SP1_SP2	C[6a]	N[6a]	C	3:2:2:	3:3:	3:2:	C[6a]-3:N[6a]-2:C-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(CC[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]N[6a])(CC[6a])	116.2800	0.000	1	116.5035	1.337	22	116.7930	1.672	155	116.7904	1.631	163	116.6683	2.549	505	116.6683	2.549	505
643	371	983	0:SP2_SP1_SP2	C[6a]	N[6a]	C	3:2:2:	3:3:	3:2:	C[6a]-3:N[6a]-2:C-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(CC[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(CC[6a])	116.5326	1.244	19	116.5035	1.337	22	116.7930	1.672	155	116.7904	1.631	163	116.6683	2.549	505	116.6683	2.549	505
643	371	983	0:SP2_SP1_SP2	C[6a]	N[6a]	C	3:2:2:	3:3:	3:2:	C[6a]-3:N[6a]-2:C-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(CC[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|H<1>,2|C<3>}	C(C[6a]C[6a]N[6a])(CC[6a])	116.3390	0.287	2	116.5035	1.337	22	116.7930	1.672	155	116.7904	1.631	163	116.6683	2.549	505	116.6683	2.549	505
643	371	983	0:SP2_SP1_SP2	C[6a]	N[6a]	C	3:2:2:	3:3:	3:2:	C[6a]-3:N[6a]-2:C-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(CFe)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(CFe)	119.2830	0.000	1	119.2830	0.000	1	116.7930	1.672	155	116.7904	1.631	163	116.6683	2.549	505	116.6683	2.549	505
643	371	983	0:SP2_SP1_SP2	C[6a]	N[6a]	C	3:2:2:	3:3:	3:2:	C[6a]-3:N[6a]-2:C-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(CGe[5])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(CGe[5])	115.8310	0.684	2	115.8310	0.469	2	116.7930	1.672	155	116.7904	1.631	163	116.6683	2.549	505	116.6683	2.549	505
643	371	983	0:SP2_SP1_SP2	C[6a]	N[6a]	C	3:2:2:	3:3:	3:2:	C[6a]-3:N[6a]-2:C-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(CH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(CH)	116.2735	0.728	2	116.2360	0.269	3	116.7930	1.672	155	116.7904	1.631	163	116.6683	2.549	505	116.6683	2.549	505
643	371	983	0:SP2_SP1_SP2	C[6a]	N[6a]	C	3:2:2:	3:3:	3:2:	C[6a]-3:N[6a]-2:C-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(CH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|H<1>,2|C<3>}	C(C[6a]C[6a]N[6a])(CH)	116.1610	0.000	1	116.2360	0.269	3	116.7930	1.672	155	116.7904	1.631	163	116.6683	2.549	505	116.6683	2.549	505
643	371	983	0:SP2_SP1_SP2	C[6a]	N[6a]	C	3:2:2:	3:3:	3:2:	C[6a]-3:N[6a]-2:C-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(CPt)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(CPt)	117.0498	0.730	4	117.0498	0.533	4	116.7930	1.672	155	116.7904	1.631	163	116.6683	2.549	505	116.6683	2.549	505
643	371	983	0:SP2_SP1_SP2	C[6a]	N[6a]	C	3:2:2:	3:3:	3:2:	C[6a]-3:N[6a]-2:C-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(CRh)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(CRh)	117.4700	0.000	1	117.4700	0.000	1	116.7930	1.672	155	116.7904	1.631	163	116.6683	2.549	505	116.6683	2.549	505
643	371	983	0:SP2_SP1_SP2	C[6a]	N[6a]	C	3:2:2:	3:3:	3:2:	C[6a]-3:N[6a]-2:C-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N)	C(C[6a]C[6a]N[6a])(CH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(CH)	117.2440	0.000	1	117.2440	0.000	1	116.7930	1.672	155	116.7904	1.631	163	116.6683	2.549	505	116.6683	2.549	505
643	371	983	0:SP2_SP1_SP2	C[6a]	N[6a]	C	3:2:2:	3:3:	3:2:	C[6a]-3:N[6a]-2:C-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N)	C(C[6a]C[6a]N[6a])(CSi)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]N){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(CSi)	116.8600	0.000	1	116.8600	0.000	1	116.7930	1.672	155	116.7904	1.631	163	116.6683	2.549	505	116.6683	2.549	505
643	371	983	0:SP2_SP1_SP2	C[6a]	N[6a]	C	3:2:2:	3:3:	3:2:	C[6a]-3:N[6a]-2:C-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N)	C(C[6a]C[6a]N[6a])(CC)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC){1|C<2>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N){1|C<3>,1|H<1>}	C(C[6a]C[6a]N[6a])(CC)	117.5160	2.840	2	117.5160	8.064	2	116.7930	1.672	155	116.7904	1.631	163	116.6683	2.549	505	116.6683	2.549	505
643	371	983	0:SP2_SP1_SP2	C[6a]	N[6a]	C	3:2:2:	3:3:	3:2:	C[6a]-3:N[6a]-2:C-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N)	C(C[6a]C[6a]N[6a])(CC[6])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC){1|C<4>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N){1|C<3>,1|H<1>}	C(C[6a]C[6a]N[6a])(CC[6])	116.5270	0.000	1	116.5270	0.000	1	116.7930	1.672	155	116.7904	1.631	163	116.6683	2.549	505	116.6683	2.549	505
643	371	983	0:SP2_SP1_SP2	C[6a]	N[6a]	C	3:2:2:	3:3:	3:2:	C[6a]-3:N[6a]-2:C-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N)	C(C[6a]C[6a]N[6a])(CC[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC){1|C<4>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N){1|C<3>,1|H<1>}	C(C[6a]C[6a]N[6a])(CC[6a])	117.5000	0.000	1	117.5000	0.000	1	116.7930	1.672	155	116.7904	1.631	163	116.6683	2.549	505	116.6683	2.549	505
643	371	983	0:SP2_SP1_SP2	C[6a]	N[6a]	C	3:2:2:	3:3:	3:2:	C[6a]-3:N[6a]-2:C-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]S)	C(C[6a]C[6a]N[6a])(CC[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC){1|C<2>,1|N<2>,1|S<4>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]S){1|C<3>,1|H<1>}	C(C[6a]C[6a]N[6a])(CC[6a])	118.1025	0.545	2	118.1025	0.297	2	116.7930	1.672	155	116.7904	1.631	163	116.6683	2.549	505	116.6683	2.549	505
643	371	983	0:SP2_SP1_SP2	C[6a]	N[6a]	C	3:2:2:	3:3:	3:2:	C[6a]-3:N[6a]-2:C-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC)	N[6a](C[6a]C[6a]C)2	C(C[6a]C[6a]N[6a])(CC)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC){1|C<2>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(CC)	116.1375	0.493	2	116.0505	0.653	4	116.7930	1.672	155	116.7904	1.631	163	116.6683	2.549	505	116.6683	2.549	505
643	371	983	0:SP2_SP1_SP2	C[6a]	N[6a]	C	3:2:2:	3:3:	3:2:	C[6a]-3:N[6a]-2:C-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC)	N[6a](C[6a]C[6a]C)2	C(C[6a]C[6a]N[6a])(CC)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC){1|C<2>,1|C<3>,1|O<2>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(CC)	115.9635	1.299	2	116.0505	0.653	4	116.7930	1.672	155	116.7904	1.631	163	116.6683	2.549	505	116.6683	2.549	505
643	371	983	0:SP2_SP1_SP2	C[6a]	N[6a]	C	3:2:2:	3:3:	3:2:	C[6a]-3:N[6a]-2:C-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC)	N[6a](C[6a]C[6a]C)2	C(C[6a]C[6a]N[6a])(CC[6])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC){1|C<2>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(CC[6])	117.2299	1.364	17	117.1022	1.820	19	116.7930	1.672	155	116.7904	1.631	163	116.6683	2.549	505	116.6683	2.549	505
643	371	983	0:SP2_SP1_SP2	C[6a]	N[6a]	C	3:2:2:	3:3:	3:2:	C[6a]-3:N[6a]-2:C-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC)	N[6a](C[6a]C[6a]C)2	C(C[6a]C[6a]N[6a])(CC[6])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC){1|C<2>,1|C<3>,1|O<2>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(CC[6])	116.0165	0.609	2	117.1022	1.820	19	116.7930	1.672	155	116.7904	1.631	163	116.6683	2.549	505	116.6683	2.549	505
643	371	983	0:SP2_SP1_SP2	C[6a]	N[6a]	C	3:2:2:	3:3:	3:2:	C[6a]-3:N[6a]-2:C-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC)	N[6a](C[6a]C[6a]C)2	C(C[6a]C[6a]N[6a])(CC[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC){1|C<2>,1|C<3>,1|C<4>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(CC[6a])	115.7608	1.378	4	116.3583	1.176	35	116.7930	1.672	155	116.7904	1.631	163	116.6683	2.549	505	116.6683	2.549	505
643	371	983	0:SP2_SP1_SP2	C[6a]	N[6a]	C	3:2:2:	3:3:	3:2:	C[6a]-3:N[6a]-2:C-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC)	N[6a](C[6a]C[6a]C)2	C(C[6a]C[6a]N[6a])(CC[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC){1|C<2>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(CC[6a])	116.4673	1.050	23	116.3583	1.176	35	116.7930	1.672	155	116.7904	1.631	163	116.6683	2.549	505	116.6683	2.549	505
643	371	983	0:SP2_SP1_SP2	C[6a]	N[6a]	C	3:2:2:	3:3:	3:2:	C[6a]-3:N[6a]-2:C-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC)	N[6a](C[6a]C[6a]C)2	C(C[6a]C[6a]N[6a])(CC[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC){1|C<2>,1|C<3>,1|O<2>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(CC[6a])	116.1372	1.482	4	116.3583	1.176	35	116.7930	1.672	155	116.7904	1.631	163	116.6683	2.549	505	116.6683	2.549	505
643	371	983	0:SP2_SP1_SP2	C[6a]	N[6a]	C	3:2:2:	3:3:	3:2:	C[6a]-3:N[6a]-2:C-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC)	N[6a](C[6a]C[6a]C)2	C(C[6a]C[6a]N[6a])(CC[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(CC[6a])	116.5500	0.681	4	116.3583	1.176	35	116.7930	1.672	155	116.7904	1.631	163	116.6683	2.549	505	116.6683	2.549	505
643	371	983	0:SP2_SP1_SP2	C[6a]	N[6a]	C	3:2:2:	3:3:	3:2:	C[6a]-3:N[6a]-2:C-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC)	N[6a](C[6a]C[6a]C)2	C(C[6a]C[6a]N[6a])(CFe)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC){1|C<2>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(CFe)	116.7472	0.455	8	116.7472	0.207	8	116.7930	1.672	155	116.7904	1.631	163	116.6683	2.549	505	116.6683	2.549	505
643	371	983	0:SP2_SP1_SP2	C[6a]	N[6a]	C	3:2:2:	3:3:	3:2:	C[6a]-3:N[6a]-2:C-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC)	N[6a](C[6a]C[6a]C)2	C(C[6a]C[6a]N[6a])(CH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC){1|C<2>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(CH)	115.9875	0.534	2	115.9875	0.285	2	116.7930	1.672	155	116.7904	1.631	163	116.6683	2.549	505	116.6683	2.549	505
643	371	983	0:SP2_SP1_SP2	C[6a]	N[6a]	C	3:2:2:	3:3:	3:2:	C[6a]-3:N[6a]-2:C-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC)	N[6a](C[6a]C[6a]C)2	C(C[6a]C[6a]N[6a])(CRu)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(CRu)	118.2590	0.000	1	118.2590	0.000	1	116.7930	1.672	155	116.7904	1.631	163	116.6683	2.549	505	116.6683	2.549	505
643	371	983	0:SP2_SP1_SP2	C[6a]	N[6a]	C	3:2:2:	3:3:	3:2:	C[6a]-3:N[6a]-2:C-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC)	N[6a](C[6a]C[6a]C)2	C(C[6a]C[6a]N[6a])(CSi)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(CSi)	117.0712	1.143	5	117.0712	1.305	5	116.7930	1.672	155	116.7904	1.631	163	116.6683	2.549	505	116.6683	2.549	505
643	371	983	0:SP2_SP1_SP2	C[6a]	N[6a]	C	3:2:2:	3:3:	3:2:	C[6a]-3:N[6a]-2:C-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6a]C[6a]Si)(N[6a]C[6a])(CC)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)	C(C[6a]C[6a]N[6a])(CSi)	C[6a](C[6a]C[6a]Si)(N[6a]C[6a])(CC){1|N<2>,2|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C){1|Si<4>,3|C<3>}	C(C[6a]C[6a]N[6a])(CSi)	112.8955	0.586	2	112.8955	0.344	2	116.7930	1.672	155	116.7904	1.631	163	116.6683	2.549	505	116.6683	2.549	505
643	371	983	0:SP2_SP1_SP2	C[6a]	N[6a]	C	3:2:2:	3:3:	3:2:	C[6a]-3:N[6a]-2:C-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CC)	N[6a](C[6a]C[6a]C)2	C(C[6a]C[6a]N[6a])(CC[6a])	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CC){1|C<3>,1|C<4>}	N[6a](C[6a]C[6a]C)2{1|C<2>,1|C<4>,1|N<2>}	C(C[6a]C[6a]N[6a])(CC[6a])	116.9880	0.000	1	116.9880	0.000	1	116.7930	1.672	155	116.7904	1.631	163	116.6683	2.549	505	116.6683	2.549	505
643	371	983	0:SP2_SP1_SP2	C[6a]	N[6a]	C	3:2:2:	3:3:	3:2:	C[6a]-3:N[6a]-2:C-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CC)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(CC[5a])	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CC){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|N<2>,2|H<1>}	C(C[6a]C[6a]N[6a])(CC[5a])	116.3910	0.000	1	116.3910	0.000	1	116.7930	1.672	155	116.7904	1.631	163	116.6683	2.549	505	116.6683	2.549	505
643	371	983	0:SP2_SP1_SP2	C[6a]	N[6a]	C	3:2:2:	3:3:	3:2:	C[6a]-3:N[6a]-2:C-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CC)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(CC[6a])	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CC){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|N<2>,2|H<1>}	C(C[6a]C[6a]N[6a])(CC[6a])	116.9035	0.231	2	116.9035	0.053	2	116.7930	1.672	155	116.7904	1.631	163	116.6683	2.549	505	116.6683	2.549	505
643	371	983	0:SP2_SP1_SP2	C[6a]	N[6a]	C	3:2:2:	3:3:	3:2:	C[6a]-3:N[6a]-2:C-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CC)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6a]C[6a]N[6a])(CI)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CC){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H){1|C<2>,1|H<1>,1|N<2>}	C(C[6a]C[6a]N[6a])(CI)	118.8420	2.615	2	118.8420	6.838	2	116.7930	1.672	155	116.7904	1.631	163	116.6683	2.549	505	116.6683	2.549	505
643	371	983	0:SP2_SP1_SP2	C[6a]	N[6a]	C	3:2:2:	3:3:	3:2:	C[6a]-3:N[6a]-2:C-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CC)	N[6a](C[6a]C[6a]C)2	C(C[6a]C[6a]N[6a])(CC[6a])	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CC){1|C<2>,1|C<3>}	N[6a](C[6a]C[6a]C)2{1|N<2>,2|H<1>}	C(C[6a]C[6a]N[6a])(CC[6a])	118.3950	0.317	2	118.3950	0.100	2	116.7930	1.672	155	116.7904	1.631	163	116.6683	2.549	505	116.6683	2.549	505
643	371	983	0:SP2_SP1_SP2	C[6a]	N[6a]	C	3:2:2:	3:3:	3:2:	C[6a]-3:N[6a]-2:C-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CC)	N[6a](C[6a]C[6a]C)2	C(C[6a]C[6a]N[6a])(CI)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CC){1|C<2>,1|C<3>}	N[6a](C[6a]C[6a]C)2{1|N<2>,2|H<1>}	C(C[6a]C[6a]N[6a])(CI)	118.0860	1.369	12	118.0860	1.874	12	116.7930	1.672	155	116.7904	1.631	163	116.6683	2.549	505	116.6683	2.549	505
643	371	983	0:SP2_SP1_SP2	C[6a]	N[6a]	C	3:2:2:	3:3:	3:2:	C[6a]-3:N[6a]-2:C-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CC)	N[6a](C[6a]C[6a]C)2	C(C[6a]C[6a]N[6a])(CPt)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CC){1|C<2>,1|C<3>}	N[6a](C[6a]C[6a]C)2{1|N<2>,2|H<1>}	C(C[6a]C[6a]N[6a])(CPt)	117.3780	0.287	2	117.3780	0.082	2	116.7930	1.672	155	116.7904	1.631	163	116.6683	2.549	505	116.6683	2.549	505
643	371	992	0:SP2_SP2_SP3	C[6a]	N[6a]	P	2:2:4:	3:3:	3:3:3:1:	N[6a]-2:N[6a]-2:P-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:O-1:	C[6a](N[6a]C[6a])2(PC[6a]2O)	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]P)	P(C[6a]C[6a]2)2(C[6a]N[6a]2)(O)	C[6a](N[6a]C[6a])2(PC[6a]2O){1|N<2>,2|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]P){3|C<3>}	P(C[6a]C[6a]2)2(C[6a]N[6a]2)(O)	116.4585	0.484	2	116.4585	0.235	2	116.1750	1.284	4	116.1750	1.284	4	115.5981	4.617	32	115.5981	4.617	32
643	371	992	0:SP2_SP2_SP3	C[6a]	N[6a]	P	2:2:4:	3:3:	3:3:3:1:	N[6a]-2:N[6a]-2:P-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:O-1:	C[6a](N[6a]C[6a])2(PC[6a]2O)	N[6a](C[6a]N[5a]N[6a])(C[6a]N[6a]P)	P(C[6a]C[6a]2)2(C[6a]N[6a]2)(O)	C[6a](N[6a]C[6a])2(PC[6a]2O){1|N<2>,2|N<3>}	N[6a](C[6a]N[5a]N[6a])(C[6a]N[6a]P){3|C<3>}	P(C[6a]C[6a]2)2(C[6a]N[6a]2)(O)	115.8915	1.815	2	115.8915	3.295	2	116.1750	1.284	4	116.1750	1.284	4	115.5981	4.617	32	115.5981	4.617	32
643	371	992	0:SP2_SP2_SP3	C[6a]	N[6a]	P	2:3:4:	3:3:	3:2:2:1:	N[6a]-2:C[6a]-3:P-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:O-2:O-2:O-1:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(PO3)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]P)	P(C[6a]C[6a]N[6a])(OC)2(O)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(PO3){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]P){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	P(C[6a]C[6a]N[6a])(OC)2(O)	117.9610	0.000	1	117.9610	0.000	1	117.9610	0.000	1	117.9610	0.000	1	115.5981	4.617	32	115.5981	4.617	32
643	371	992	0:SP2_SP2_SP3	C[6a]	N[6a]	P	2:3:4:	3:3:	3:3:3:1:	N[6a]-2:C[6a]-3:P-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:O-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(PC[6a]2O)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]P)	P(C[6a]C[6a]N[6a])(C[6a]C[6a]2)2(O)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(PC[6a]2O){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]P){1|H<1>,1|N<3>,3|C<3>}	P(C[6a]C[6a]N[6a])(C[6a]C[6a]2)2(O)	116.6700	0.000	1	116.6700	0.000	1	117.6040	1.534	4	117.6040	1.534	4	115.5981	4.617	32	115.5981	4.617	32
643	371	992	0:SP2_SP2_SP3	C[6a]	N[6a]	P	2:3:4:	3:3:	3:3:3:1:	N[6a]-2:C[6a]-3:P-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:O-1:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(PC[6a]2O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]P)	P(C[6a]C[6a]N[6a])(C[6a]C[6a]2)2(O)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(PC[6a]2O){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]P){1|N<2>,2|C<3>,2|H<1>}	P(C[6a]C[6a]N[6a])(C[6a]C[6a]2)2(O)	117.9153	1.311	3	117.9153	1.719	3	117.6040	1.534	4	117.6040	1.534	4	115.5981	4.617	32	115.5981	4.617	32
643	371	992	0:SP2_SP2_SP3	C[6a]	N[6a]	P	2:3:4:	3:3:	3:4:4:2:	N[6a]-2:C[6a]-3:P-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:O-2:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]P)(PCCO)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]P)	P(C[6a]C[6a]N[6a])(CC3)(CH3)(OPd)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]P)(PCCO){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]P){1|H<1>,1|N<2>,1|P<4>,2|C<3>}	P(C[6a]C[6a]N[6a])(CC3)(CH3)(OPd)	112.1350	0.000	1	112.1350	0.000	1	112.1350	0.000	1	112.1350	0.000	1	115.5981	4.617	32	115.5981	4.617	32
643	371	992	0:SP2_SP2_SP3	C[6a]	N[6a]	P	3:2:4:	3:3:	3:2:2:1:	C[5a,6a]-3:N[6a]-2:P-4:	C[6a]-3:C[6a]-3:	C[6a]-3:O-2:O-2:O-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(PO3)	N[6a](C[6a]C[5a,6a]P)(C[6a]N[6a]Cl)	P(C[6a]C[5a,6a]N[6a])(OC)2(O)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(PO3){1|Cl<1>,1|C<3>,1|N<2>,1|N<3>}	N[6a](C[6a]C[5a,6a]P)(C[6a]N[6a]Cl){1|C<3>,1|N<2>}	P(C[6a]C[5a,6a]N[6a])(OC)2(O)	113.5960	0.000	1	113.5960	0.000	1	115.3647	3.722	3	115.5375	2.601	4	115.5981	4.617	32	115.5981	4.617	32
643	371	992	0:SP2_SP2_SP3	C[6a]	N[6a]	P	3:2:4:	3:3:	3:2:2:1:	C[5a,6a]-3:N[6a]-2:P-4:	C[6a]-3:C[6a]-3:	C[6a]-3:O-2:O-2:O-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(PO3)	N[6a](C[6a]C[5a,6a]P)(C[6a]N[6a]H)	P(C[6a]C[5a,6a]N[6a])(OC)2(O)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(PO3){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[5a,6a]P)(C[6a]N[6a]H){1|C<3>,1|N<2>}	P(C[6a]C[5a,6a]N[6a])(OC)2(O)	116.2490	1.659	2	116.2490	2.752	2	115.3647	3.722	3	115.5375	2.601	4	115.5981	4.617	32	115.5981	4.617	32
643	371	992	0:SP2_SP2_SP3	C[6a]	N[6a]	P	3:2:4:	3:3:	3:2:2:1:	C[6a]-3:N[6a]-2:P-4:	C[6a]-3:C[6a]-3:	C[6a]-3:O-2:O-2:O-1:	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(PO3)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]P)	P(C[6a]C[6a]N[6a])(OH)2(O)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(PO3){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]P){1|N<2>,2|H<1>}	P(C[6a]C[6a]N[6a])(OH)2(O)	116.0560	0.000	1	116.0560	0.000	1	116.0560	0.000	1	115.5375	2.601	4	115.5981	4.617	32	115.5981	4.617	32
643	371	992	0:SP2_SP2_SP3	C[6a]	N[6a]	P	3:2:4:	3:3:	3:3:3:1:	C[6a,6a]-3:N[6a]-2:P-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:O-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(PC[6a]2O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]P)	P(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)2(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(PC[6a]2O){1|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]P){1|H<1>,4|C<3>}	P(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)2(O)	112.9140	2.648	4	112.9140	7.014	4	112.9140	7.014	4	114.6348	5.286	13	115.5981	4.617	32	115.5981	4.617	32
643	371	992	0:SP2_SP2_SP3	C[6a]	N[6a]	P	3:2:4:	3:3:	3:3:3:1:	C[6a]-3:N[6a]-2:P-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:C[6]-3:O-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(PC[6]2O)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]P)	P(C[6a]C[6a]N[6a])(C[6]C[6]N[6])2(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(PC[6]2O){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]P){1|C<3>,2|H<1>}	P(C[6a]C[6a]N[6a])(C[6]C[6]N[6])2(O)	114.8597	0.188	3	114.8597	0.035	3	114.8597	0.035	3	114.6348	5.286	13	115.5981	4.617	32	115.5981	4.617	32
643	371	992	0:SP2_SP2_SP3	C[6a]	N[6a]	P	3:2:4:	3:3:	3:3:3:1:	C[6a]-3:N[6a]-2:P-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:O-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(PC[6a]2O)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]P)	P(C[6a]C[6a]N[6a])3(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(PC[6a]2O){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]P){1|C<3>,2|H<1>}	P(C[6a]C[6a]N[6a])3(O)	115.5693	3.258	3	115.5693	10.615	3	115.8784	5.649	5	114.6348	5.286	13	115.5981	4.617	32	115.5981	4.617	32
643	371	992	0:SP2_SP2_SP3	C[6a]	N[6a]	P	3:2:4:	3:3:	3:3:3:1:	C[6a]-3:N[6a]-2:P-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:O-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(PC[6a]2O)	N[6a](C[6a]C[6a]P)2	P(C[6a]C[6a]N[6a])(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(PC[6a]2O){1|C<3>,1|H<1>,1|P<4>}	N[6a](C[6a]C[6a]P)2{1|C<3>,2|H<1>}	P(C[6a]C[6a]N[6a])(C[6a]C[6a]2)2(O)	116.3420	0.806	2	116.3420	0.650	2	115.8784	5.649	5	114.6348	5.286	13	115.5981	4.617	32	115.5981	4.617	32
643	371	992	0:SP2_SP2_SP3	C[6a]	N[6a]	P	3:2:4:	3:3:	3:3:3:1:	C[6a]-3:N[6a]-2:P-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:Se-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(PC[6a]2Se)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]P)	P(C[6a]C[6a]N[6a])(C[6a]C[6a]2)2(Se)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(PC[6a]2Se){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]P){1|C<3>,2|H<1>}	P(C[6a]C[6a]N[6a])(C[6a]C[6a]2)2(Se)	114.6250	0.000	1	114.6250	0.000	1	114.6250	0.000	1	114.6348	5.286	13	115.5981	4.617	32	115.5981	4.617	32
643	371	992	0:SP2_SP2_SP3	C[6a]	N[6a]	P	3:2:4:	3:3:	3:3:3:4:	C[6a]-3:N[6a]-2:P-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:C[6]-3:C-4:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(PC[6]2C)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]P)	P(C[6a]C[6a]N[6a])(C[6]C[6]N[6])2(CCHH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(PC[6]2C){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]P){1|C<3>,2|H<1>}	P(C[6a]C[6a]N[6a])(C[6]C[6]N[6])2(CCHH)	113.2780	0.000	1	113.2780	0.000	1	113.2780	0.000	1	113.2780	0.000	1	115.5981	4.617	32	115.5981	4.617	32
643	371	992	0:SP2_SP2_SP3	C[6a]	N[6a]	P	3:2:4:	3:3:	3:3:4:1:	C[6a]-3:N[6a]-2:P-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:O-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(PC[6a]CO)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]P)	P(C[6a]C[6a]N[6a])2(CCHH)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(PC[6a]CO){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]P){1|C<3>,2|H<1>}	P(C[6a]C[6a]N[6a])2(CCHH)(O)	117.0620	0.892	4	117.0620	0.795	4	117.0620	0.795	4	117.0620	0.795	4	115.5981	4.617	32	115.5981	4.617	32
643	390	643	0:SP2_SP-NON_SP2	C[6a]	Ge	C[6a]	3:3:1:	3:	3:3:3:	C[6a]-3:C[6a]-3:Ge-1:	C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)2(Ge)	Ge(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Ge)(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]2)2(Ge){2|H<1>,5|C<3>}	Ge(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Ge)(C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,2|C<4>,4|C<3>}	120.2160	6.160	2	120.2160	37.949	2	120.2160	37.949	2	120.2160	37.949	2	120.2160	37.949	2	120.2160	37.949	2
643	394	643	0:SP2_SP2_SPD5	C[6,6a]	P[5,5,6]	C[6a]	5:3:3:	3:3:3:3:2:	3:3:1:	P[5,5,6]-5:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:C[5,5]-3:O[5]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](P[5,5,6]C[5,6a]C[6,6a]C[5,5]O[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	P[5,5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(C[5,5]C[5,6a]C[5])(O[5]C[5,6a])	C[6a](C[6,6a]P[5,5,6]C[6,6a])(C[6a]C[6a]H)(H)	C[6,6a](P[5,5,6]C[5,6a]C[6,6a]C[5,5]O[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|H<1>,8|C<3>}	P[5,5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(C[5,5]C[5,6a]C[5])(O[5]C[5,6a]){1|Cl<1>,1|O<2>,3|H<1>,8|C<3>}	C[6a](C[6,6a]P[5,5,6]C[6,6a])(C[6a]C[6a]H)(H){1|H<1>,2|O<2>,4|C<3>}	123.0235	0.303	2	123.0235	0.092	2	123.0235	0.092	2	123.0235	0.092	2	123.0235	0.092	2	120.8036	5.259	92
643	394	643	0:SP2_SP2_SPD5	C[6a]	P[5,3x6]	C[6a]	5:3:3:	3:3:3:3:3:	3:3:1:	P[5,3x6]-5:C[6a]-3:C[6a]-3:	N[5,5a,6]-3:N[5,5a,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](P[5,3x6]N[5,5a,6]2N[5a,6,6]2)(C[6a]C[6a]H)2	P[5,3x6](N[5,5a,6]C[5,5a]C[5a,6])2(N[5a,6,6]C[5a,6]2)2(C[6a]C[6a]2)	C[6a](C[6a]P[5,3x6]C[6a])(C[6a]C[6a]C)(H)	C[6a](P[5,3x6]N[5,5a,6]2N[5a,6,6]2)(C[6a]C[6a]H)2{2|C<4>,9|C<3>}	P[5,3x6](N[5,5a,6]C[5,5a]C[5a,6])2(N[5a,6,6]C[5a,6]2)2(C[6a]C[6a]2){13|C<3>,2|H<1>}	C[6a](C[6a]P[5,3x6]C[6a])(C[6a]C[6a]C)(H){1|C<3>,2|H<1>,4|N<3>}	120.2835	1.046	2	120.2835	1.094	2	120.3015	0.454	4	120.3015	0.454	4	120.3015	0.454	4	120.8036	5.259	92
643	394	643	0:SP2_SP2_SPD5	C[6a]	P[5,3x6]	C[6a]	5:3:3:	3:3:3:3:3:	3:3:1:	P[5,3x6]-5:C[6a]-3:C[6a]-3:	N[5,5a,6]-3:N[5,5a,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](P[5,3x6]N[5,5a,6]2N[5a,6,6]2)(C[6a]C[6a]H)2	P[5,3x6](N[5,5a,6]C[5,5a]C[5a,6])2(N[5a,6,6]C[5a,6]2)2(C[6a]C[6a]2)	C[6a](C[6a]P[5,3x6]C[6a])(C[6a]C[6a]H)(H)	C[6a](P[5,3x6]N[5,5a,6]2N[5a,6,6]2)(C[6a]C[6a]H)2{2|H<1>,9|C<3>}	P[5,3x6](N[5,5a,6]C[5,5a]C[5a,6])2(N[5a,6,6]C[5a,6]2)2(C[6a]C[6a]2){13|C<3>,2|H<1>}	C[6a](C[6a]P[5,3x6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,4|N<3>}	120.3195	0.517	2	120.3195	0.267	2	120.3015	0.454	4	120.3015	0.454	4	120.3015	0.454	4	120.8036	5.259	92
643	394	643	0:SP2_SP2_SPD5	C[6a]	P[5,5]	C[6a]	5:3:3:	3:3:3:2:2:	3:3:1:	P[5,5]-5:C[6a]-3:C[6a]-3:	C[5,5a]-3:C[5,5a]-3:C[6a]-3:O[5]-2:O[5]-2:	C[6a]-3:C[6a]-3:F-1:	C[6a](P[5,5]C[5,5a]2O[5]2)(C[6a]C[6a]F)2	P[5,5](C[5,5a]C[5,5a]C[5a])2(C[6a]C[6a]2)(O[5]C[5,6a])2	C[6a](C[6a]P[5,5]C[6a])(C[6a]C[6a]F)(F)	C[6a](P[5,5]C[5,5a]2O[5]2)(C[6a]C[6a]F)2{2|F<1>,7|C<3>}	P[5,5](C[5,5a]C[5,5a]C[5a])2(C[6a]C[6a]2)(O[5]C[5,6a])2{2|F<1>,2|H<1>,2|S<2>,6|C<3>}	C[6a](C[6a]P[5,5]C[6a])(C[6a]C[6a]F)(F){2|F<1>,2|O<2>,3|C<3>}	122.4753	0.481	6	122.4753	0.231	6	122.4753	0.231	6	120.2430	3.962	31	120.6588	4.577	52	120.8036	5.259	92
643	394	643	0:SP2_SP2_SPD5	C[6a]	P[5,5]	C[6a]	5:3:3:	3:3:3:2:2:	3:3:1:	P[5,5]-5:C[6a]-3:C[6a]-3:	C[5,5a]-3:C[5,5a]-3:C[6a]-3:O[5]-2:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](P[5,5]C[5,5a]2O[5]2)(C[6a]C[6a]H)2	P[5,5](C[5,5a]C[5,5a]C[5a])2(C[6a]C[6a]2)(O[5]C[5,6a])2	C[6a](C[6a]P[5,5]C[6a])(C[6a]C[6a]H)(H)	C[6a](P[5,5]C[5,5a]2O[5]2)(C[6a]C[6a]H)2{2|H<1>,7|C<3>}	P[5,5](C[5,5a]C[5,5a]C[5a])2(C[6a]C[6a]2)(O[5]C[5,6a])2{2|S<2>,4|H<1>,6|C<3>}	C[6a](C[6a]P[5,5]C[6a])(C[6a]C[6a]H)(H){2|H<1>,2|O<2>,3|C<3>}	120.3678	0.562	4	120.3678	0.315	4	120.3678	0.315	4	120.2430	3.962	31	120.6588	4.577	52	120.8036	5.259	92
643	394	643	0:SP2_SP2_SPD5	C[6a]	P[5,5]	C[6a]	5:3:3:	3:3:3:2:2:	3:3:1:	P[5,5]-5:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:O[5]-2:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](P[5,5]C[5,6a]2O[5]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	P[5,5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(O[5]C[5])2	C[6a](C[6a]P[5,5]C[6a])(C[6a]C[6a]H)(H)	C[6a](P[5,5]C[5,6a]2O[5]2)(C[6a]C[6a]C)(C[6a]C[6a]H){2|H<1>,7|C<3>}	P[5,5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(O[5]C[5])2{1|C<4>,2|O<1>,3|H<1>,6|C<3>}	C[6a](C[6a]P[5,5]C[6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|O<2>,3|C<3>}	115.8330	0.000	1	115.2887	0.226	3	119.4294	4.923	15	120.2430	3.962	31	120.6588	4.577	52	120.8036	5.259	92
643	394	643	0:SP2_SP2_SPD5	C[6a]	P[5,5]	C[6a]	5:3:3:	3:3:3:2:2:	3:3:1:	P[5,5]-5:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:O[5]-2:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](P[5,5]C[5,6a]2O[5]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	P[5,5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(O[5]C[5])2	C[6a](C[6a]P[5,5]C[6a])(C[6a]C[6a]H)(H)	C[6a](P[5,5]C[5,6a]2O[5]2)(C[6a]C[6a]C)(C[6a]C[6a]H){2|H<1>,7|C<3>}	P[5,5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(O[5]C[5])2{2|O<1>,3|H<1>,7|C<3>}	C[6a](C[6a]P[5,5]C[6a])(C[6a]C[6a]H)(H){1|H<1>,2|O<2>,4|C<3>}	115.0165	0.086	2	115.2887	0.226	3	119.4294	4.923	15	120.2430	3.962	31	120.6588	4.577	52	120.8036	5.259	92
643	394	643	0:SP2_SP2_SPD5	C[6a]	P[5,5]	C[6a]	5:3:3:	3:3:3:2:2:	3:3:1:	P[5,5]-5:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:O[5]-2:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](P[5,5]C[5,6a]2O[5]2)(C[6a]C[6a]H)2	P[5,5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(O[5]C[5])2	C[6a](C[6a]P[5,5]C[6a])(C[6a]C[6a]H)(H)	C[6a](P[5,5]C[5,6a]2O[5]2)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,5|C<3>}	P[5,5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(O[5]C[5])2{4|C<4>,4|H<1>,6|C<3>}	C[6a](C[6a]P[5,5]C[6a])(C[6a]C[6a]H)(H){1|F<1>,1|H<1>,2|O<2>,3|C<3>}	120.2507	0.702	4	120.4646	0.380	12	119.4294	4.923	15	120.2430	3.962	31	120.6588	4.577	52	120.8036	5.259	92
643	394	643	0:SP2_SP2_SPD5	C[6a]	P[5,5]	C[6a]	5:3:3:	3:3:3:2:2:	3:3:1:	P[5,5]-5:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:O[5]-2:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](P[5,5]C[5,6a]2O[5]2)(C[6a]C[6a]H)2	P[5,5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(O[5]C[5])2	C[6a](C[6a]P[5,5]C[6a])(C[6a]C[6a]H)(H)	C[6a](P[5,5]C[5,6a]2O[5]2)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,5|C<3>}	P[5,5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(O[5]C[5])2{4|C<4>,4|H<1>,6|C<3>}	C[6a](C[6a]P[5,5]C[6a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>,3|O<2>}	120.5718	0.644	4	120.4646	0.380	12	119.4294	4.923	15	120.2430	3.962	31	120.6588	4.577	52	120.8036	5.259	92
643	394	643	0:SP2_SP2_SPD5	C[6a]	P[5,5]	C[6a]	5:3:3:	3:3:3:2:2:	3:3:1:	P[5,5]-5:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:O[5]-2:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](P[5,5]C[5,6a]2O[5]2)(C[6a]C[6a]H)2	P[5,5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(O[5]C[5])2	C[6a](C[6a]P[5,5]C[6a])(C[6a]C[6a]H)(H)	C[6a](P[5,5]C[5,6a]2O[5]2)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,5|C<3>}	P[5,5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(O[5]C[5])2{4|C<4>,4|H<1>,6|C<3>}	C[6a](C[6a]P[5,5]C[6a])(C[6a]C[6a]H)(H){2|H<1>,2|O<2>,3|C<3>}	120.5713	0.628	4	120.4646	0.380	12	119.4294	4.923	15	120.2430	3.962	31	120.6588	4.577	52	120.8036	5.259	92
643	394	643	0:SP2_SP2_SPD5	C[6a]	P[5,5]	C[6a]	5:3:3:	3:3:3:2:2:	3:3:1:	P[5,5]-5:C[6a]-3:C[6a]-3:	C[6a]-3:N[5,5]-3:P-3:O[5]-2:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](P[5,5]N[5,5]O[5]2P)(C[6a]C[6a]H)2	P[5,5](C[6a]C[6a]2)(N[5,5]C[5]2)(PP[5,5]2)(O[5]C[5])2	C[6a](C[6a]P[5,5]C[6a])(C[6a]C[6a]H)(H)	C[6a](P[5,5]N[5,5]O[5]2P)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	P[5,5](C[6a]C[6a]2)(N[5,5]C[5]2)(PP[5,5]2)(O[5]C[5])2{2|C<3>,2|O<1>,6|H<1>}	C[6a](C[6a]P[5,5]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,1|P<3>,2|H<1>,2|O<2>}	119.9613	1.221	6	119.9613	1.491	6	119.9613	1.491	6	120.2430	3.962	31	120.6588	4.577	52	120.8036	5.259	92
643	394	643	0:SP2_SP2_SPD5	C[6a]	P[5,5]	C[6a]	5:3:3:	3:3:3:2:2:	3:3:3:	P[5,5]-5:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:O[5]-2:O[5]-2:	C[6a]-3:C[6a]-3:C-3:	C[6a](P[5,5]C[5,6a]2O[5]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	P[5,5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(O[5]C[5])2	C[6a](C[6a]P[5,5]C[6a])(C[6a]C[6a]H)(COO)	C[6a](P[5,5]C[5,6a]2O[5]2)(C[6a]C[6a]C)(C[6a]C[6a]H){2|H<1>,7|C<3>}	P[5,5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(O[5]C[5])2{2|O<1>,3|H<1>,7|C<3>}	C[6a](C[6a]P[5,5]C[6a])(C[6a]C[6a]H)(COO){2|H<1>,2|O<2>,3|C<3>}	126.4135	0.630	2	126.4135	0.397	2	126.4135	0.397	2	126.4135	0.397	2	120.6588	4.577	52	120.8036	5.259	92
643	394	643	0:SP2_SP2_SPD5	C[6a]	P[5,5]	C[6a]	5:3:3:	3:3:3:2:2:	3:3:4:	P[5,5]-5:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:O[5]-2:O[5]-2:	C[6a]-3:C[6a]-3:C-4:	C[6a](P[5,5]C[5,6a]2O[5]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	P[5,5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(O[5]C[5])2	C[6a](C[6a]P[5,5]C[6a])(C[6a]C[6a]H)(CH3)	C[6a](P[5,5]C[5,6a]2O[5]2)(C[6a]C[6a]C)(C[6a]C[6a]H){2|H<1>,7|C<3>}	P[5,5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(O[5]C[5])2{1|C<4>,2|O<1>,3|H<1>,6|C<3>}	C[6a](C[6a]P[5,5]C[6a])(C[6a]C[6a]H)(CH3){2|H<1>,2|O<2>,3|C<3>}	124.1600	0.000	1	124.1600	0.000	1	121.0159	2.078	7	121.0159	2.078	7	120.6588	4.577	52	120.8036	5.259	92
643	394	643	0:SP2_SP2_SPD5	C[6a]	P[5,5]	C[6a]	5:3:3:	3:3:3:2:2:	3:3:4:	P[5,5]-5:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:O[5]-2:O[5]-2:	C[6a]-3:C[6a]-3:C-4:	C[6a](P[5,5]C[5,6a]2O[5]2)(C[6a]C[6a]C)2	P[5,5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(O[5]C[5])2	C[6a](C[6a]P[5,5]C[6a])(C[6a]C[6a]H)(CH3)	C[6a](P[5,5]C[5,6a]2O[5]2)(C[6a]C[6a]C)2{2|C<4>,2|H<1>,5|C<3>}	P[5,5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(O[5]C[5])2{2|H<1>,6|C<3>,6|C<4>}	C[6a](C[6a]P[5,5]C[6a])(C[6a]C[6a]H)(CH3){2|C<4>,2|O<2>,3|C<3>}	120.4918	0.432	6	120.4918	0.186	6	121.0159	2.078	7	121.0159	2.078	7	120.6588	4.577	52	120.8036	5.259	92
643	394	643	0:SP2_SP2_SPD5	C[6a]	P[5,5]	C[6a]	5:3:3:	3:3:3:3:2:	3:3:1:	P[5,5]-5:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-3:C[6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](P[5,5]C[5,6a]C[5,5]C[6a]O[5])(C[6a]C[6a]H)2	P[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5])(C[6a]C[6a]2)2(O[5]C[5,6a])	C[6a](C[6a]P[5,5]C[6a])(C[6a]C[6a]H)(H)	C[6a](P[5,5]C[5,6a]C[5,5]C[6a]O[5])(C[6a]C[6a]H)2{2|H<1>,8|C<3>}	P[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5])(C[6a]C[6a]2)2(O[5]C[5,6a]){1|Cl<1>,5|H<1>,8|C<3>}	C[6a](C[6a]P[5,5]C[6a])(C[6a]C[6a]H)(H){1|O<2>,2|H<1>,4|C<3>}	120.3340	2.282	4	120.5656	2.645	12	120.5656	2.645	12	120.5656	2.645	12	120.6588	4.577	52	120.8036	5.259	92
643	394	643	0:SP2_SP2_SPD5	C[6a]	P[5,5]	C[6a]	5:3:3:	3:3:3:3:2:	3:3:1:	P[5,5]-5:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-3:C[6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](P[5,5]C[5,6a]C[5,5]C[6a]O[5])(C[6a]C[6a]H)2	P[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5])(C[6a]C[6a]2)2(O[5]C[5,6a])	C[6a](C[6a]P[5,5]C[6a])(C[6a]C[6a]H)(H)	C[6a](P[5,5]C[5,6a]C[5,5]C[6a]O[5])(C[6a]C[6a]H)2{2|H<1>,8|C<3>}	P[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5])(C[6a]C[6a]2)2(O[5]C[5,6a]){5|H<1>,9|C<3>}	C[6a](C[6a]P[5,5]C[6a])(C[6a]C[6a]H)(H){1|O<2>,2|H<1>,4|C<3>}	120.6814	1.371	8	120.5656	2.645	12	120.5656	2.645	12	120.5656	2.645	12	120.6588	4.577	52	120.8036	5.259	92
643	394	643	0:SP2_SP2_SPD5	C[6a]	P[5]	C[6a]	5:3:3:	3:2:2:2:2:	3:3:1:	P[5]-5:C[6a]-3:C[6a]-3:	C[6a]-3:O[5]-2:O[5]-2:O-2:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](P[5]O[5]2OO)(C[6a]C[6a]H)2	P[5](C[6a]C[6a]2)(O[5]C[5,6a])2(OC[6a])2	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	C[6a](P[5]O[5]2OO)(C[6a]C[6a]H)2{2|H<1>,3|C<3>}	P[5](C[6a]C[6a]2)(O[5]C[5,6a])2(OC[6a])2{2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,4|O<2>}	120.8705	2.112	2	120.8705	4.461	2	120.8705	4.461	2	120.8705	4.461	2	120.9535	6.999	34	120.8036	5.259	92
643	394	643	0:SP2_SP2_SPD5	C[6a]	P[5]	C[6a]	5:3:3:	3:3:2:2:2:	3:3:1:	P[5]-5:C[6a]-3:C[6a]-3:	C[6a]-3:N[5]-3:O[5]-2:O-2:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](P[5]N[5]O[5]OO)(C[6a]C[6a]H)2	P[5](C[6a]C[6a]2)(N[5]N[5]C)(O[5]C[5])(OC[6a])2	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	C[6a](P[5]N[5]O[5]OO)(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	P[5](C[6a]C[6a]2)(N[5]N[5]C)(O[5]C[5])(OC[6a])2{1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|H<1>,3|O<2>}	121.0775	3.398	4	121.0775	11.543	4	121.0775	11.543	4	121.0775	11.543	4	120.9535	6.999	34	120.8036	5.259	92
643	394	643	0:SP2_SP2_SPD5	C[6a]	P[5]	C[6a]	5:3:3:	3:3:3:2:1:	3:3:1:	P[5]-5:C[6a]-3:C[6a]-3:	N[5]-3:C[6a]-3:C[6a]-3:O[5]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](P[5]C[6a]N[5]O[5]H)(C[6a]C[6a]H)2	P[5](N[5]C[5,6a]P)(C[6a]C[6a]2)2(O[5]C[5,6a])(H)	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	C[6a](P[5]C[6a]N[5]O[5]H)(C[6a]C[6a]H)2{1|P<3>,2|H<1>,5|C<3>}	P[5](N[5]C[5,6a]P)(C[6a]C[6a]2)2(O[5]C[5,6a])(H){4|H<1>,6|C<3>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,2|C<3>,3|H<1>}	120.6060	3.642	4	120.6060	13.261	4	120.6060	13.261	4	120.6060	13.261	4	120.9535	6.999	34	120.8036	5.259	92
643	394	643	0:SP2_SP2_SPD5	C[6a]	P[5]	C[6a]	5:3:3:	3:3:3:3:2:	3:3:1:	P[5]-5:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](P[5]C[5,6a]C[6a]2O[5])(C[6a]C[6a]H)2	P[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)3(O[5]C[5])	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	C[6a](P[5]C[5,6a]C[6a]2O[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,7|C<3>}	P[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)3(O[5]C[5]){1|C<4>,7|H<1>,9|C<3>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){1|O<2>,2|H<1>,4|C<3>}	120.8750	2.261	6	120.8968	7.028	18	120.8968	7.028	18	120.9977	6.587	24	120.9535	6.999	34	120.8036	5.259	92
643	394	643	0:SP2_SP2_SPD5	C[6a]	P[5]	C[6a]	5:3:3:	3:3:3:3:2:	3:3:1:	P[5]-5:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](P[5]C[5,6a]C[6a]2O[5])(C[6a]C[6a]H)2	P[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)3(O[5]C[5])	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	C[6a](P[5]C[5,6a]C[6a]2O[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,7|C<3>}	P[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)3(O[5]C[5]){8|H<1>,9|C<3>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){1|O<2>,2|H<1>,4|C<3>}	120.9077	2.922	12	120.8968	7.028	18	120.8968	7.028	18	120.9977	6.587	24	120.9535	6.999	34	120.8036	5.259	92
643	394	643	0:SP2_SP2_SPD5	C[6a]	P[5]	C[6a]	5:3:3:	3:3:3:3:2:	3:3:1:	P[5]-5:C[6a]-3:C[6a]-3:	C[5]-3:C[6a]-3:C[6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](P[5]C[6a]2C[5]O[5])(C[6a]C[6a]H)2	P[5](C[5]C[3]C[5])(C[6a]C[6a]2)3(O[5]C[5])	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H)	C[6a](P[5]C[6a]2C[5]O[5])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,7|C<3>}	P[5](C[5]C[3]C[5])(C[6a]C[6a]2)3(O[5]C[5]){2|C<4>,7|H<1>,8|C<3>}	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(H){1|O<2>,2|H<1>,4|C<3>}	121.3003	2.501	6	121.3003	6.256	6	121.3003	6.256	6	120.9977	6.587	24	120.9535	6.999	34	120.8036	5.259	92
643	394	643	6:SP2_SP2_SPD5	C[6,6a]	P[5,5,6]	C[6,6a]	5:3:3:	3:3:3:3:2:	3:3:2:	P[5,5,6]-5:C[6,6a]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:C[5,5]-3:O[5]-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](P[5,5,6]C[5,6a]C[6,6a]C[5,5]O[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	P[5,5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(C[5,5]C[5,6a]C[5])(O[5]C[5,6a])	C[6,6a](C[6,6a]P[5,5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a])	C[6,6a](P[5,5,6]C[5,6a]C[6,6a]C[5,5]O[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|H<1>,8|C<3>}	P[5,5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(C[5,5]C[5,6a]C[5])(O[5]C[5,6a]){1|Cl<1>,1|O<2>,3|H<1>,8|C<3>}	C[6,6a](C[6,6a]P[5,5,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a]){1|O<2>,2|H<1>,5|C<3>}	118.5180	0.119	2	118.5180	0.014	2	118.5180	0.014	2	118.5180	0.014	2	118.5180	0.014	2	118.5180	0.014	2
643	410	643	0:SP2_SP1_SP2	C[6a]	As	C[6a,6a]	3:3:1:	3:	3:3:3:	C[6a,6a]-3:C[6a]-3:As-1:	C[6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(As)	As(C[6a]C[6a,6a]C[6a])	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]As)(C[6a]C[6a]P)	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(As){1|H<1>,1|P<3>,3|C<3>}	As(C[6a]C[6a,6a]C[6a])	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]As)(C[6a]C[6a]P){2|C<3>,2|C<4>,2|H<1>}	119.2060	3.120	2	123.4085	28.533	4	123.4085	28.533	4	123.4085	28.533	4	123.4085	28.533	4	120.3550	24.012	18
643	410	643	0:SP2_SP1_SP2	C[6a]	As	C[6a,6a]	3:3:1:	3:	3:3:3:	C[6a,6a]-3:C[6a]-3:As-1:	C[6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(As)	As(C[6a]C[6a,6a]C[6a])	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]As)(C[6a]C[6a]P)	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(As){1|H<1>,1|P<4>,3|C<3>}	As(C[6a]C[6a,6a]C[6a])	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]As)(C[6a]C[6a]P){2|C<3>,2|C<4>,2|H<1>}	127.6110	2.285	2	123.4085	28.533	4	123.4085	28.533	4	123.4085	28.533	4	123.4085	28.533	4	120.3550	24.012	18
643	410	643	0:SP2_SP1_SP2	C[6a]	As	C[6a]	3:3:1:	3:	3:3:1:	C[6a,6a]-3:C[6a]-3:As-1:	C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(As)	As(C[6a]C[6a,6a]C[6a])	C[6a](C[6a]C[6a,6a]As)(C[6a]C[5,6a]H)(H)	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(As){1|H<1>,1|P<3>,3|C<3>}	As(C[6a]C[6a,6a]C[6a])	C[6a](C[6a]C[6a,6a]As)(C[6a]C[5,6a]H)(H){1|C<4>,2|C<3>}	122.2005	2.265	2	117.7865	30.618	4	117.7865	30.618	4	117.7865	30.618	4	119.4826	21.127	14	120.3550	24.012	18
643	410	643	0:SP2_SP1_SP2	C[6a]	As	C[6a]	3:3:1:	3:	3:3:1:	C[6a,6a]-3:C[6a]-3:As-1:	C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(As)	As(C[6a]C[6a,6a]C[6a])	C[6a](C[6a]C[6a,6a]As)(C[6a]C[5,6a]H)(H)	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(As){1|H<1>,1|P<4>,3|C<3>}	As(C[6a]C[6a,6a]C[6a])	C[6a](C[6a]C[6a,6a]As)(C[6a]C[5,6a]H)(H){1|C<4>,2|C<3>}	113.3725	2.965	2	117.7865	30.618	4	117.7865	30.618	4	117.7865	30.618	4	119.4826	21.127	14	120.3550	24.012	18
643	410	643	0:SP2_SP1_SP2	C[6a]	As	C[6a]	3:3:1:	3:	3:3:4:	C[6a]-3:C[6a]-3:As-1:	C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(As)	As(C[6a]C[6a]2)	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(As){1|C<3>,2|H<1>}	As(C[6a]C[6a]2)	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(CH3){1|C<3>,2|C<4>}	120.4539	4.312	8	120.4539	18.590	8	120.1610	18.520	10	120.1610	18.520	10	119.4826	21.127	14	120.3550	24.012	18
643	410	643	0:SP2_SP1_SP2	C[6a]	As	C[6a]	3:3:1:	3:	3:3:4:	C[6a]-3:C[6a]-3:As-1:	C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(As)	As(C[6a]C[6a]2)	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(CHHN)	C[6a](C[6a]C[6a]C)2(As){1|C<3>,2|H<1>}	As(C[6a]C[6a]2)	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	114.9200	0.000	1	114.9200	0.000	1	120.1610	18.520	10	120.1610	18.520	10	119.4826	21.127	14	120.3550	24.012	18
643	410	643	0:SP2_SP1_SP2	C[6a]	As	C[6a]	3:3:1:	3:	3:3:4:	C[6a]-3:C[6a]-3:As-1:	C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(As)	As(C[6a]C[6a]2)	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(CHHO)	C[6a](C[6a]C[6a]C)2(As){1|C<3>,2|H<1>}	As(C[6a]C[6a]2)	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(CHHO){1|C<3>,1|C<4>,1|H<1>}	123.0590	0.000	1	123.0590	0.000	1	120.1610	18.520	10	120.1610	18.520	10	119.4826	21.127	14	120.3550	24.012	18
643	422	643	0:SP2_SP2_SP3	C[6a]	Se[5,5]	C[6a]	4:3:3:	3:3:2:2:	3:3:1:	Se[5,5]-4:C[6a]-3:C[6a]-3:	C[5,5,6a]-3:C[6a]-3:O[5]-2:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](Se[5,5]C[5,5,6a]O[5]2)(C[6a]C[6a]H)2	Se[5,5](C[5,5,6a]C[5,6a]2)(C[6a]C[6a]2)(O[5]C[5])2	C[6a](C[6a]Se[5,5]C[6a])(C[6a]C[6a]H)(H)	C[6a](Se[5,5]C[5,5,6a]O[5]2)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	Se[5,5](C[5,5,6a]C[5,6a]2)(C[6a]C[6a]2)(O[5]C[5])2{2|H<1>,2|O<1>,4|C<3>}	C[6a](C[6a]Se[5,5]C[6a])(C[6a]C[6a]H)(H){2|C<3>,2|H<1>,2|O<2>}	118.7980	4.039	2	118.7980	16.313	2	118.7980	16.313	2	118.7980	16.313	2	118.7980	16.313	2	118.7980	16.313	2
643	430	643	0:SP2_SP-NON_SP2	C[6a]	Se	C[6a,6a]	3:3:1:	3:	3:3:3:	C[6a,6a]-3:C[6a]-3:Se-1:	C[6a]-3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(Se)	Se(C[6a]C[6a,6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Se)(C[6a]C[6a]N)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(Se){1|H<1>,1|N<3>,3|C<3>}	Se(C[6a]C[6a,6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]Se)(C[6a]C[6a]N){2|C<3>,4|H<1>}	113.2960	0.000	1	113.2960	0.000	1	113.2960	0.000	1	113.2960	0.000	1	113.2960	0.000	1	119.3834	9.157	42
643	430	643	0:SP2_SP-NON_SP2	C[6a]	Se	C[6a]	3:3:1:	3:	3:3:1:	C[6a,6a]-3:C[6a]-3:Se-1:	C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(Se)	Se(C[6a]C[6a,6a]C[6a])	C[6a](C[6a]C[6a,6a]Se)(C[6a]C[6a]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(Se){1|H<1>,1|N<3>,3|C<3>}	Se(C[6a]C[6a,6a]C[6a])	C[6a](C[6a]C[6a,6a]Se)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	126.4010	0.000	1	126.4010	0.000	1	126.4010	0.000	1	120.9495	6.825	25	119.5319	8.437	41	119.3834	9.157	42
643	430	643	0:SP2_SP-NON_SP2	C[6a]	Se	C[6a]	3:3:1:	3:	3:3:1:	C[6a]-3:C[6a]-3:Se-1:	C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C[5])(Se)	Se(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Se)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C[5])(Se){1|N<2>,1|O<2>,3|C<3>}	Se(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Se)(H){1|H<1>,4|C<3>}	123.4850	0.000	1	123.4850	0.000	1	123.4850	0.000	1	120.9495	6.825	25	119.5319	8.437	41	119.3834	9.157	42
643	430	643	0:SP2_SP-NON_SP2	C[6a]	Se	C[6a]	3:3:1:	3:	3:3:1:	C[6a]-3:C[6a]-3:Se-1:	C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Se)	Se(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Se){1|C<3>,2|H<1>}	Se(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	125.4600	1.133	2	125.7583	0.909	3	120.6022	5.676	23	120.9495	6.825	25	119.5319	8.437	41	119.3834	9.157	42
643	430	643	0:SP2_SP-NON_SP2	C[6a]	Se	C[6a]	3:3:1:	3:	3:3:1:	C[6a]-3:C[6a]-3:Se-1:	C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Se)	Se(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Se){1|C<3>,2|H<1>}	Se(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	126.3550	0.000	1	125.7583	0.909	3	120.6022	5.676	23	120.9495	6.825	25	119.5319	8.437	41	119.3834	9.157	42
643	430	643	0:SP2_SP-NON_SP2	C[6a]	Se	C[6a]	3:3:1:	3:	3:3:1:	C[6a]-3:C[6a]-3:Se-1:	C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Se)	Se(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Se)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Se){1|Se<1>,2|C<3>}	Se(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Se)2(H){1|C<3>,1|H<1>,1|O<2>}	119.2070	0.861	5	119.2863	0.631	6	120.6022	5.676	23	120.9495	6.825	25	119.5319	8.437	41	119.3834	9.157	42
643	430	643	0:SP2_SP-NON_SP2	C[6a]	Se	C[6a]	3:3:1:	3:	3:3:1:	C[6a]-3:C[6a]-3:Se-1:	C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Se)	Se(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Se)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Se){1|Se<2>,2|C<3>}	Se(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Se)2(H){1|C<3>,1|H<1>,1|O<2>}	119.6830	0.000	1	119.2863	0.631	6	120.6022	5.676	23	120.9495	6.825	25	119.5319	8.437	41	119.3834	9.157	42
643	430	643	0:SP2_SP-NON_SP2	C[6a]	Se	C[6a]	3:3:1:	3:	3:3:1:	C[6a]-3:C[6a]-3:Se-1:	C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(Se)	Se(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]C)(H)	C[6a](C[6a]C[6a]H)2(Se){1|Se<1>,2|C<3>}	Se(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|O<2>}	120.6576	0.320	5	120.6576	0.103	5	120.6022	5.676	23	120.9495	6.825	25	119.5319	8.437	41	119.3834	9.157	42
643	430	643	0:SP2_SP-NON_SP2	C[6a]	Se	C[6a]	3:3:1:	3:	3:3:1:	C[6a]-3:C[6a]-3:Se-1:	C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(Se)	Se(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(Se){1|C<3>,2|H<1>}	Se(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	121.4553	0.408	4	121.4553	0.167	4	120.6022	5.676	23	120.9495	6.825	25	119.5319	8.437	41	119.3834	9.157	42
643	430	643	0:SP2_SP-NON_SP2	C[6a]	Se	C[6a]	3:3:1:	3:	3:3:1:	C[6a]-3:C[6a]-3:Se-1:	C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(Se)	Se(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Se)2(H)	C[6a](C[6a]C[6a]H)2(Se){1|Se<1>,2|C<3>}	Se(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Se)2(H){1|C<3>,1|H<1>,1|O<2>}	118.3498	0.373	5	118.3498	0.139	5	120.6022	5.676	23	120.9495	6.825	25	119.5319	8.437	41	119.3834	9.157	42
643	430	643	0:SP2_SP-NON_SP2	C[6a]	Se	C[6a]	3:3:1:	3:	3:3:2:	C[6a]-3:C[6a]-3:Se-1:	C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Se)	Se(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]C)(OCo)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Se){1|Se<1>,2|C<3>}	Se(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]C)(OCo){1|C<3>,2|H<1>}	117.0220	0.809	2	117.0220	0.654	2	117.9760	1.144	6	117.9760	1.144	6	119.5319	8.437	41	119.3834	9.157	42
643	430	643	0:SP2_SP-NON_SP2	C[6a]	Se	C[6a]	3:3:1:	3:	3:3:2:	C[6a]-3:C[6a]-3:Se-1:	C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Se)	Se(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Se){1|Se<1>,2|C<3>}	Se(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]C)(OH){1|C<3>,2|H<1>}	118.6220	0.000	1	119.0965	0.450	2	117.9760	1.144	6	117.9760	1.144	6	119.5319	8.437	41	119.3834	9.157	42
643	430	643	0:SP2_SP-NON_SP2	C[6a]	Se	C[6a]	3:3:1:	3:	3:3:2:	C[6a]-3:C[6a]-3:Se-1:	C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Se)	Se(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]C)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Se){1|Se<2>,2|C<3>}	Se(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]C)(OH){1|C<3>,2|H<1>}	119.5710	0.000	1	119.0965	0.450	2	117.9760	1.144	6	117.9760	1.144	6	119.5319	8.437	41	119.3834	9.157	42
643	430	643	0:SP2_SP-NON_SP2	C[6a]	Se	C[6a]	3:3:1:	3:	3:3:2:	C[6a]-3:C[6a]-3:Se-1:	C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Se)	Se(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]C)(OZn)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(Se){1|Se<1>,2|C<3>}	Se(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]C)(OZn){1|C<3>,2|H<1>}	117.8095	0.480	2	117.8095	0.231	2	117.9760	1.144	6	117.9760	1.144	6	119.5319	8.437	41	119.3834	9.157	42
643	430	643	0:SP2_SP-NON_SP2	C[6a]	Se	C[6a]	3:3:1:	3:	3:3:3:	C[6a]-3:C[6a]-3:Se-1:	C[6a]-3:	C[6a]-3:C[5]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C[5])(Se)	Se(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]C[6a])(C[5]N[5]O[5])(C[6a]C[6a]Se)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C[5])(Se){1|N<2>,1|O<2>,3|C<3>}	Se(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]C[6a])(C[5]N[5]O[5])(C[6a]C[6a]Se){1|H<1>,2|C<4>,4|C<3>}	116.6890	0.000	1	116.6890	0.000	1	116.6890	0.000	1	115.4445	3.098	2	119.5319	8.437	41	119.3834	9.157	42
643	430	643	0:SP2_SP-NON_SP2	C[6a]	Se	C[6a]	3:3:1:	3:	3:3:3:	C[6a]-3:C[6a]-3:Se-1:	C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Se)	Se(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(CHN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Se){1|C<3>,2|H<1>}	Se(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(CHN){1|C<3>,2|H<1>}	114.2000	0.000	1	114.2000	0.000	1	114.2000	0.000	1	115.4445	3.098	2	119.5319	8.437	41	119.3834	9.157	42
643	430	643	0:SP2_SP-NON_SP2	C[6a]	Se	C[6a]	3:3:1:	3:	3:3:4:	C[6a]-3:C[6a]-3:Se-1:	C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Se)	Se(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(CCHN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Se){1|C<3>,2|H<1>}	Se(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(CCHN){1|C<3>,2|H<1>}	113.5840	0.000	1	113.5840	0.000	1	117.2908	3.788	8	117.2908	3.788	8	119.5319	8.437	41	119.3834	9.157	42
643	430	643	0:SP2_SP-NON_SP2	C[6a]	Se	C[6a]	3:3:1:	3:	3:3:4:	C[6a]-3:C[6a]-3:Se-1:	C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Se)	Se(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(CN[6]HH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(Se){1|C<3>,2|H<1>}	Se(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(CN[6]HH){1|C<3>,2|H<1>}	114.8420	0.000	1	114.8420	0.000	1	117.2908	3.788	8	117.2908	3.788	8	119.5319	8.437	41	119.3834	9.157	42
643	430	643	0:SP2_SP-NON_SP2	C[6a]	Se	C[6a]	3:3:1:	3:	3:3:4:	C[6a]-3:C[6a]-3:Se-1:	C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(Se)	Se(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(CHHN)	C[6a](C[6a]C[6a]C)2(Se){1|C<3>,2|H<1>}	Se(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	118.3167	0.305	6	118.3167	0.093	6	117.2908	3.788	8	117.2908	3.788	8	119.5319	8.437	41	119.3834	9.157	42
643	442	643	0:SP2_SP2_SPD5	C[6,6a]	B[3,3,6,6]	C[6a]	5:3:3:	5:3:3:2:2:	3:3:1:	B[3,3,6,6]-5:C[6,6a]-3:C[6a]-3:	B[3,3,6,6]-5:C[6,6a]-3:C[6,6a]-3:H[3]-2:H[3]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](B[3,3,6,6]B[3,3,6,6]C[6,6a]H[3]2)(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)	B[3,3,6,6](B[3,3,6,6]C[6,6a]2H[3]2)(C[6,6a]C[6,6a]C[6a])2(H[3]B[3,3,6,6])2	C[6a](C[6,6a]B[3,3,6,6]C[6,6a])(C[6a]C[6a]H)(H)	C[6,6a](B[3,3,6,6]B[3,3,6,6]C[6,6a]H[3]2)(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	B[3,3,6,6](B[3,3,6,6]C[6,6a]2H[3]2)(C[6,6a]C[6,6a]C[6a])2(H[3]B[3,3,6,6])2{2|H<1>,8|C<3>}	C[6a](C[6,6a]B[3,3,6,6]C[6,6a])(C[6a]C[6a]H)(H){1|B<5>,1|H<1>,2|H<2>,3|C<3>}	120.7735	0.156	4	120.7735	0.024	4	120.7735	0.024	4	120.7735	0.024	4	120.7735	0.024	4	122.0071	13.320	71
643	442	643	0:SP2_SP2_SPD5	C[6,6a]	B[3,3,6]	C[6a]	5:3:3:	5:3:2:2:1:	3:3:1:	B[3,3,6]-5:C[6,6a]-3:C[6a]-3:	B[3,3,6]-5:C[6,6a]-3:H[3]-2:H[3]-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](B[3,3,6]B[3,3,6]H[3]2H)(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)	B[3,3,6](B[3,3,6]C[6,6a]H[3]2H)(C[6,6a]C[6,6a]C[6a])(H[3]B[3,3,6])2(H)	C[6a](C[6,6a]B[3,3,6]C[6,6a])(C[6a]C[6a]H)(H)	C[6,6a](B[3,3,6]B[3,3,6]H[3]2H)(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	B[3,3,6](B[3,3,6]C[6,6a]H[3]2H)(C[6,6a]C[6,6a]C[6a])(H[3]B[3,3,6])2(H){1|H<1>,4|C<3>}	C[6a](C[6,6a]B[3,3,6]C[6,6a])(C[6a]C[6a]H)(H){1|B<5>,2|C<3>,2|H<1>,2|H<2>}	117.2160	0.017	2	117.2160	0.000	2	117.2160	0.000	2	117.2160	0.000	2	117.2160	0.000	2	122.0071	13.320	71
643	442	643	0:SP2_SP2_SPD5	C[6a]	B[3,3,5]	C[6a]	5:3:3:	5:3:2:2:3:	3:3:4:	B[3,3,5]-5:C[6a]-3:C[6a]-3:	B[3,3,5]-5:C[5,6a]-3:H[3]-2:H[3]-2:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](B[3,3,5]B[3,3,5]C[5,6a]H[3]2)(C[6a]C[6a]C)2	B[3,3,5](B[3,3,5]C[5,6a]C[6a]H[3]2)(C[5,6a]C[5,6a,6a]C[6a])(H[3]B[3,3,5])2(C[6a]C[6a]2)	C[6a](C[6a]B[3,3,5]C[6a])(C[6a]C[6a]H)(CH3)	C[6a](B[3,3,5]B[3,3,5]C[5,6a]H[3]2)(C[6a]C[6a]C)2{2|H<1>,5|C<3>}	B[3,3,5](B[3,3,5]C[5,6a]C[6a]H[3]2)(C[5,6a]C[5,6a,6a]C[6a])(H[3]B[3,3,5])2(C[6a]C[6a]2){1|H<1>,2|C<4>,7|C<3>}	C[6a](C[6a]B[3,3,5]C[6a])(C[6a]C[6a]H)(CH3){1|B<5>,2|C<3>,2|C<4>,2|H<2>}	120.8137	1.897	4	120.8137	3.598	4	120.8137	3.598	4	120.8137	3.598	4	120.8137	3.598	4	122.0071	13.320	71
643	442	643	0:SP2_SP2_SPD5	C[6a]	B[3,3]	C[6a,6a]	5:3:3:	5:3:3:2:2:	3:3:3:	B[3,3]-5:C[6a,6a]-3:C[6a,6a]-3:	B[3,3]-5:C[6a]-3:C[6a]-3:H[3]-2:H[3]-2:	C[6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a](B[3,3]B[3,3]C[6a]H[3]2)(C[6a,6a]C[6a,6a]C[6a])2	B[3,3](B[3,3]C[6a]2H[3]2)(C[6a]C[6a,6a]2)2(H[3]B[3,3])2	C[6a,6a](C[6a]C[6a,6a]B[3,3])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a](B[3,3]B[3,3]C[6a]H[3]2)(C[6a,6a]C[6a,6a]C[6a])2{2|H<1>,9|C<3>}	B[3,3](B[3,3]C[6a]2H[3]2)(C[6a]C[6a,6a]2)2(H[3]B[3,3])2{12|C<3>}	C[6a,6a](C[6a]C[6a,6a]B[3,3])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|B<5>,2|H<2>,3|H<1>,4|C<3>}	120.6833	2.418	8	120.6833	5.847	8	120.6833	5.847	8	120.6833	5.847	8	120.6833	5.847	8	122.0071	13.320	71
643	442	643	0:SP2_SP2_SPD5	C[6a]	B[3,3]	C[6a]	5:3:3:	13:4:2:3:3:	3:3:1:	B[3,3]-5:C[6a]-3:C[6a]-3:	Nb[12x3]-13:C[3x3,5]-4:H[3]-2:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a](B[3,3]C[3x3,5]Nb[12x3]C[6a]H[3])(C[6a]C[6a]F)2	B[3,3](Nb[12x3]C[3,3,5]9C[3x3,5]C[6a]H[3])(C[3x3,5]C[3,3,5]2Nb[12x3])(H[3]Nb[12x3])(C[6a]C[6a]2)2	C[6a](C[6a]B[3,3]C[6a])(C[6a]C[6a]F)(F)	C[6a](B[3,3]C[3x3,5]Nb[12x3]C[6a]H[3])(C[6a]C[6a]F)2{2|F<1>,4|C<3>,9|C<4>}	B[3,3](Nb[12x3]C[3,3,5]9C[3x3,5]C[6a]H[3])(C[3x3,5]C[3,3,5]2Nb[12x3])(H[3]Nb[12x3])(C[6a]C[6a]2)2{4|F<1>,6|C<3>,9|H<1>}	C[6a](C[6a]B[3,3]C[6a])(C[6a]C[6a]F)(F){1|Nb<13>,1|C<4>,1|H<2>,2|C<3>,2|F<1>}	122.8940	5.008	4	122.8940	25.082	4	122.8940	25.082	4	122.8940	25.082	4	122.7573	17.633	39	122.0071	13.320	71
643	442	643	0:SP2_SP2_SPD5	C[6a]	B[3,3]	C[6a]	5:3:3:	3:5:5:2:1:	3:3:1:	B[3,3]-5:C[4,6a]-3:C[6a]-3:	C[6a]-3:B[3,3]-5:B[3]-5:H[3]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](B[3,3]B[3,3]B[3]H[3]H)(C[4,6a]C[4,6a]2)(C[6a]C[6a]H)	B[3,3](C[6a]C[4,6a]C[6a])(B[3,3]B[3]H[3]HH)(B[3]B[3,3]HHP)(H[3]B[3,3])(H)	C[6a](C[6a]C[4,6a]B[3,3])(C[6a]C[6a]H)(H)	C[6a](B[3,3]B[3,3]B[3]H[3]H)(C[4,6a]C[4,6a]2)(C[6a]C[6a]H){1|P<4>,3|C<3>,5|H<1>}	B[3,3](C[6a]C[4,6a]C[6a])(B[3,3]B[3]H[3]HH)(B[3]B[3,3]HHP)(H[3]B[3,3])(H){1|H<1>,3|C<3>}	C[6a](C[6a]C[4,6a]B[3,3])(C[6a]C[6a]H)(H){1|H<2>,2|B<5>,2|C<3>,2|H<1>}	125.8240	0.000	1	125.8240	0.000	1	125.8240	0.000	1	125.8240	0.000	1	122.7573	17.633	39	122.0071	13.320	71
643	442	643	0:SP2_SP2_SPD5	C[6a]	B[3,3]	C[6a]	5:3:3:	4:5:3:3:2:	3:3:1:	B[3,3]-5:C[6a]-3:C[6a]-3:	C[3,5]-4:B[3,3]-5:C[6a]-3:C[6a]-3:H[3]-2:	C[6a]-3:C[6a]-3:F-1:	C[6a](B[3,3]B[3,3]C[3,5]C[6a]H[3])(C[6a]C[6a]F)2	B[3,3](C[3,5]C[5,6a]B[3,3]C[5])(B[3,3]C[3,5]C[6a]2H[3])(C[6a]C[6a]2)2(H[3]B[3,3])	C[6a](C[6a]B[3,3]C[6a])(C[6a]C[6a]F)(F)	C[6a](B[3,3]B[3,3]C[3,5]C[6a]H[3])(C[6a]C[6a]F)2{1|C<4>,2|F<1>,6|C<3>}	B[3,3](C[3,5]C[5,6a]B[3,3]C[5])(B[3,3]C[3,5]C[6a]2H[3])(C[6a]C[6a]2)2(H[3]B[3,3]){10|C<3>,1|C<4>,2|H<1>,4|F<1>}	C[6a](C[6a]B[3,3]C[6a])(C[6a]C[6a]F)(F){1|B<5>,1|C<4>,1|H<2>,2|C<3>,2|F<1>}	123.1249	5.390	8	123.1249	29.053	8	123.1249	29.053	8	123.1249	29.053	8	122.7573	17.633	39	122.0071	13.320	71
643	442	643	0:SP2_SP2_SPD5	C[6a]	B[3,3]	C[6a]	5:3:3:	5:3:3:2:2:	3:3:1:	B[3,3]-5:C[6a]-3:C[6a]-3:	B[3,3]-5:C[6a]-3:C[6a]-3:H[3]-2:H[3]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](B[3,3]B[3,3]C[6a]H[3]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	B[3,3](B[3,3]C[6a]2H[3]2)(C[6a]C[6a]2)2(H[3]B[3,3])2	C[6a](C[6a]B[3,3]C[6a])(C[6a]C[6a]H)(H)	C[6a](B[3,3]B[3,3]C[6a]H[3]2)(C[6a]C[6a]C)(C[6a]C[6a]H){2|H<1>,5|C<3>}	B[3,3](B[3,3]C[6a]2H[3]2)(C[6a]C[6a]2)2(H[3]B[3,3])2{2|C<4>,2|H<1>,8|C<3>}	C[6a](C[6a]B[3,3]C[6a])(C[6a]C[6a]H)(H){1|B<5>,1|C<4>,1|H<1>,2|C<3>,2|H<2>}	118.6352	3.288	4	118.6352	10.811	4	118.6352	10.811	4	118.6352	10.811	4	122.7573	17.633	39	122.0071	13.320	71
643	442	643	0:SP2_SP2_SPD5	C[6a]	B[3,3]	C[6a]	5:3:3:	5:3:3:2:2:	3:3:4:	B[3,3]-5:C[6a]-3:C[6a]-3:	B[3,3]-5:C[6a]-3:C[6a]-3:H[3]-2:H[3]-2:	C[6a]-3:C[6a]-3:C-4:	C[6a](B[3,3]B[3,3]C[6a]H[3]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	B[3,3](B[3,3]C[6a]2H[3]2)(C[6a]C[6a]2)2(H[3]B[3,3])2	C[6a](C[6a]B[3,3]C[6a])(C[6a]C[6a]H)(CH3)	C[6a](B[3,3]B[3,3]C[6a]H[3]2)(C[6a]C[6a]C)(C[6a]C[6a]H){2|H<1>,5|C<3>}	B[3,3](B[3,3]C[6a]2H[3]2)(C[6a]C[6a]2)2(H[3]B[3,3])2{2|C<4>,2|H<1>,8|C<3>}	C[6a](C[6a]B[3,3]C[6a])(C[6a]C[6a]H)(CH3){1|B<5>,2|C<3>,2|H<1>,2|H<2>}	123.5840	3.269	4	123.5840	10.688	4	123.5840	10.688	4	123.5840	10.688	4	122.7573	17.633	39	122.0071	13.320	71
643	442	643	0:SP2_SP2_SPD5	C[6a]	B[3,3]	C[6a]	5:3:3:	5:3:5:3:2:	3:3:1:	B[3,3]-5:C[4,6a]-3:C[6a]-3:	B[3,3]-5:C[6a]-3:B[3]-5:C[6a]-3:H[3]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](B[3,3]B[3,3]C[6a]B[3]H[3])(C[4,6a]C[4,6a]2)(C[6a]C[6a]H)	B[3,3](B[3,3]C[6a]B[3]H[3]H)(C[6a]C[4,6a]C[6a])(B[3]B[3,3]HHP)(C[6a]C[6a]2)(H[3]B[3,3])	C[6a](C[6a]C[4,6a]B[3,3])(C[6a]C[6a]H)(H)	C[6a](B[3,3]B[3,3]C[6a]B[3]H[3])(C[4,6a]C[4,6a]2)(C[6a]C[6a]H){1|P<4>,4|H<1>,6|C<3>}	B[3,3](B[3,3]C[6a]B[3]H[3]H)(C[6a]C[4,6a]C[6a])(B[3]B[3,3]HHP)(C[6a]C[6a]2)(H[3]B[3,3]){1|H<1>,2|F<1>,7|C<3>}	C[6a](C[6a]C[4,6a]B[3,3])(C[6a]C[6a]H)(H){1|H<1>,1|H<2>,2|B<5>,3|C<3>}	125.5960	0.912	2	125.5960	0.832	2	125.5960	0.832	2	123.6887	5.563	6	122.7573	17.633	39	122.0071	13.320	71
643	442	643	0:SP2_SP2_SPD5	C[6a]	B[3,3]	C[6a]	5:3:3:	5:3:5:3:2:	3:3:1:	B[3,3]-5:C[6a]-3:C[6a]-3:	B[3,3]-5:C[6a]-3:B[3]-5:C[6a]-3:H[3]-2:	C[6a]-3:C[6a]-3:F-1:	C[6a](B[3,3]B[3,3]C[6a]B[3]H[3])(C[6a]C[6a]F)2	B[3,3](B[3,3]C[6a]B[3]H[3]H)(C[6a]C[4,6a]C[6a])(B[3]B[3,3]HHP)(C[6a]C[6a]2)(H[3]B[3,3])	C[6a](C[6a]B[3,3]C[6a])(C[6a]C[6a]F)(F)	C[6a](B[3,3]B[3,3]C[6a]B[3]H[3])(C[6a]C[6a]F)2{1|P<4>,2|F<1>,3|H<1>,4|C<3>}	B[3,3](B[3,3]C[6a]B[3]H[3]H)(C[6a]C[4,6a]C[6a])(B[3]B[3,3]HHP)(C[6a]C[6a]2)(H[3]B[3,3]){1|H<1>,2|F<1>,7|C<3>}	C[6a](C[6a]B[3,3]C[6a])(C[6a]C[6a]F)(F){1|H<2>,2|B<5>,2|C<3>,2|F<1>}	122.7350	2.314	4	122.7350	5.356	4	122.7350	5.356	4	123.6887	5.563	6	122.7573	17.633	39	122.0071	13.320	71
643	442	643	0:SP2_SP2_SPD5	C[6a]	B[3,3]	C[6a]	5:3:3:	5:4:3:3:2:	3:3:1:	B[3,3]-5:C[6a]-3:C[6a]-3:	B[3,3]-5:C[3]-4:C[6a]-3:C[6a]-3:H[3]-2:	C[6a]-3:C[6a]-3:F-1:	C[6a](B[3,3]B[3,3]C[6a]C[3]H[3])(C[6a]C[6a]F)2	B[3,3](B[3,3]C[6a]2C[3]H[3])(C[3]B[3,3]CH)(C[6a]C[6a]2)2(H[3]B[3,3])	C[6a](C[6a]B[3,3]C[6a])(C[6a]C[6a]F)(F)	C[6a](B[3,3]B[3,3]C[6a]C[3]H[3])(C[6a]C[6a]F)2{1|C<4>,1|H<1>,2|F<1>,5|C<3>}	B[3,3](B[3,3]C[6a]2C[3]H[3])(C[3]B[3,3]CH)(C[6a]C[6a]2)2(H[3]B[3,3]){4|F<1>,8|C<3>}	C[6a](C[6a]B[3,3]C[6a])(C[6a]C[6a]F)(F){1|B<5>,1|C<4>,1|H<2>,2|C<3>,2|F<1>}	122.9648	4.539	8	122.9648	20.604	8	122.9648	20.604	8	122.9648	20.604	8	122.7573	17.633	39	122.0071	13.320	71
643	442	643	0:SP2_SP2_SPD5	C[6a]	B[3,3]	C[6a]	5:3:3:	5:5:3:2:1:	3:3:1:	B[3,3]-5:C[6a]-3:C[6a]-3:	B[3,3]-5:B[3]-5:C[6a]-3:H[3]-2:H-1:	C[6a]-3:C[6a]-3:F-1:	C[6a](B[3,3]B[3,3]B[3]H[3]H)(C[6a]C[6a]F)2	B[3,3](B[3,3]C[6a]2B[3]H[3])(B[3]B[3,3]HHP)(C[6a]C[6a]2)(H[3]B[3,3])(H)	C[6a](C[6a]B[3,3]C[6a])(C[6a]C[6a]F)(F)	C[6a](B[3,3]B[3,3]B[3]H[3]H)(C[6a]C[6a]F)2{1|P<4>,2|F<1>,2|H<1>,3|C<3>}	B[3,3](B[3,3]C[6a]2B[3]H[3])(B[3]B[3,3]HHP)(C[6a]C[6a]2)(H[3]B[3,3])(H){2|F<1>,6|C<3>}	C[6a](C[6a]B[3,3]C[6a])(C[6a]C[6a]F)(F){1|C<3>,1|H<1>,1|H<2>,2|B<5>,2|F<1>}	122.6022	4.761	4	122.6022	22.666	4	122.6022	22.666	4	122.6022	22.666	4	122.7573	17.633	39	122.0071	13.320	71
643	442	643	0:SP2_SP2_SPD5	C[6a]	B[3]	C[6a]	5:3:3:	4:4:3:3:1:	3:3:1:	B[3]-5:C[6a]-3:C[6a]-3:	B[3,5]-4:C[3,5]-4:C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:F-1:	C[6a](B[3]B[3,5]C[3,5]C[6a]H)(C[6a]C[6a]F)2	B[3](B[3,5]C[3,5]C[6a]C[5])(C[3,5]B[3,5]C[5]H)(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]B[3])(C[6a]C[6a]F)(F)	C[6a](B[3]B[3,5]C[3,5]C[6a]H)(C[6a]C[6a]F)2{1|C<4>,1|H<1>,2|F<1>,5|C<3>}	B[3](B[3,5]C[3,5]C[6a]C[5])(C[3,5]B[3,5]C[5]H)(C[6a]C[6a]2)2(H){1|H<1>,1|N<3>,2|C<4>,4|F<1>,6|C<3>}	C[6a](C[6a]C[6a]B[3])(C[6a]C[6a]F)(F){1|B<4>,1|C<4>,1|H<1>,2|C<3>,2|F<1>}	122.8342	3.583	4	122.8342	12.837	4	122.8342	12.837	4	122.8342	12.837	4	122.8342	12.837	4	122.0071	13.320	71
643	442	643	0:SP2_SP2_SPD5	C[6a]	B[3x3,3x5,14x6]	C[6a]	5:3:3:	6:6:6:6:3:	3:3:1:	B[3x3,3x5,14x6]-5:C[6a]-3:C[6a]-3:	B[4x3,4x5,15x6]-6:B[4x3,4x5,15x6]-6:B[5x3,3x5,7x6]-6:B[5x3,3x5,7x6]-6:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](B[3x3,3x5,14x6]B[4x3,4x5,15x6]2B[5x3,3x5,7x6]2)(C[6a]C[6a]H)2	B[3x3,3x5,14x6](B[4x3,4x5,15x6]B[5x3,3x5,7x6]B[5x3,3x5,9x6]B[5x3,5,5,9x6]C[3x3,4x5,5x6]H)2(B[5x3,3x5,7x6]B[4x3,4x5,15x6]B[5x3,3x5,7x6]B[5x3,3x5,9x6]B[5x3,4x5,6x6]H)2(C[6a]C[6a]2)	C[6a](C[6a]B[3x3,3x5,14x6]C[6a])(C[6a]C[6a]H)(H)	C[6a](B[3x3,3x5,14x6]B[4x3,4x5,15x6]2B[5x3,3x5,7x6]2)(C[6a]C[6a]H)2{1|C<3>,2|C<5>,5|B<6>,6|H<1>}	B[3x3,3x5,14x6](B[4x3,4x5,15x6]B[5x3,3x5,7x6]B[5x3,3x5,9x6]B[5x3,5,5,9x6]C[3x3,4x5,5x6]H)2(B[5x3,3x5,7x6]B[4x3,4x5,15x6]B[5x3,3x5,7x6]B[5x3,3x5,9x6]B[5x3,4x5,6x6]H)2(C[6a]C[6a]2){1|B<6>,1|B<7>,2|C<3>,2|C<4>,7|H<1>}	C[6a](C[6a]B[3x3,3x5,14x6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,4|B<6>}	121.5090	1.469	2	121.5090	2.159	2	121.5090	2.159	2	121.5090	2.159	2	121.5090	2.159	2	122.0071	13.320	71
643	442	643	0:SP2_SP2_SPD5	C[6a]	B[3x3,5]	C[6a]	5:3:3:	4:4:4:4:3:	3:3:1:	B[3x3,5]-5:C[6a]-3:C[6a]-3:	C[3,3,6]-4:C[3,3,6]-4:C[3,5,6]-4:C[3,5,6]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](B[3x3,5]C[3,3,6]2C[3,5,6]2)(C[6a]C[6a]H)2	B[3x3,5](C[3,3,6]C[3,3,6]C[3,5,6]C)(C[3,3,6]C[3,3,6]C[3,5,6]H)(C[3,5,6]C[3,3,6]C[5,6]Si)2(C[6a]C[6a]2)	C[6a](C[6a]B[3x3,5]C[6a])(C[6a]C[6a]H)(H)	C[6a](B[3x3,5]C[3,3,6]2C[3,5,6]2)(C[6a]C[6a]H)2{2|Si<4>,1|C<4>,3|C<3>,3|H<1>}	B[3x3,5](C[3,3,6]C[3,3,6]C[3,5,6]C)(C[3,3,6]C[3,3,6]C[3,5,6]H)(C[3,5,6]C[3,3,6]C[5,6]Si)2(C[6a]C[6a]2){1|B<3>,2|H<1>,3|C<3>}	C[6a](C[6a]B[3x3,5]C[6a])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,4|C<4>}	121.5275	1.732	2	121.5275	2.999	2	121.5747	8.395	4	121.7963	10.372	8	121.7963	10.372	8	122.0071	13.320	71
643	442	643	0:SP2_SP2_SPD5	C[6a]	B[3x3,5]	C[6a]	5:3:3:	4:4:4:4:3:	3:3:1:	B[3x3,5]-5:C[6a]-3:C[6a]-3:	C[3,3,6]-4:C[3,3,6]-4:C[3,5,6]-4:C[3,5,6]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](B[3x3,5]C[3,3,6]2C[3,5,6]2)(C[6a]C[6a]H)2	B[3x3,5](C[3,3,6]C[3,3,6]C[3,5,6]C[6a])2(C[3,5,6]C[3,3,6]C[5,6]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a]B[3x3,5]C[6a])(C[6a]C[6a]H)(H)	C[6a](B[3x3,5]C[3,3,6]2C[3,5,6]2)(C[6a]C[6a]H)2{2|H<1>,7|C<3>}	B[3x3,5](C[3,3,6]C[3,3,6]C[3,5,6]C[6a])2(C[3,5,6]C[3,3,6]C[5,6]C[6a])2(C[6a]C[6a]2){12|C<3>,2|H<1>}	C[6a](C[6a]B[3x3,5]C[6a])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,4|C<4>}	121.6220	4.709	2	121.6220	22.178	2	121.5747	8.395	4	121.7963	10.372	8	121.7963	10.372	8	122.0071	13.320	71
643	442	643	0:SP2_SP2_SPD5	C[6a]	B[3x3,5]	C[6a]	5:3:3:	4:4:4:4:3:	3:3:1:	B[3x3,5]-5:C[6a]-3:C[6a]-3:	C[3,3,6]-4:C[3,5,6]-4:C[3,3,6]-4:C[3,5,6]-4:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a](B[3x3,5]C[3,3,6]2C[3,5,6]2)(C[6a]C[6a]F)2	B[3x3,5](C[3,3,6]C[3,3,6]C[3,5,6]C[6a])(C[3,5,6]C[3,3,6]C[5,6]C[6a])(C[3,3,6]C[3,3,6]C[3,5,6]C)(C[3,5,6]C[3,3,6]C[5,6]C)(C[6a]C[6a]2)	C[6a](C[6a]B[3x3,5]C[6a])(C[6a]C[6a]F)(F)	C[6a](B[3x3,5]C[3,3,6]2C[3,5,6]2)(C[6a]C[6a]F)2{2|C<4>,2|F<1>,5|C<3>}	B[3x3,5](C[3,3,6]C[3,3,6]C[3,5,6]C[6a])(C[3,5,6]C[3,3,6]C[5,6]C[6a])(C[3,3,6]C[3,3,6]C[3,5,6]C)(C[3,5,6]C[3,3,6]C[5,6]C)(C[6a]C[6a]2){2|F<1>,8|C<3>}	C[6a](C[6a]B[3x3,5]C[6a])(C[6a]C[6a]F)(F){1|C<3>,2|F<1>,4|C<4>}	122.4265	5.981	2	122.4265	35.777	2	122.4265	35.777	2	121.7963	10.372	8	121.7963	10.372	8	122.0071	13.320	71
643	442	643	0:SP2_SP2_SPD5	C[6a]	B[3x3,5]	C[6a]	5:3:3:	4:4:4:4:3:	3:3:1:	B[3x3,5]-5:C[6a]-3:C[6a]-3:	C[3,5,6]-4:C[3,5,6]-4:C[3,3,6]-4:C[3,3,6]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](B[3x3,5]C[3,3,6]2C[3,5,6]2)(C[6a]C[6a]H)2	B[3x3,5](C[3,5,6]C[3x5,6,6]C[3,3,6]C)2(C[3,3,6]C[3,3,6]C[3,5,6]C)2(C[6a]C[6a]2)	C[6a](C[6a]B[3x3,5]C[6a])(C[6a]C[6a]H)(H)	C[6a](B[3x3,5]C[3,3,6]2C[3,5,6]2)(C[6a]C[6a]H)2{1|C<3>,2|H<1>,6|C<4>}	B[3x3,5](C[3,5,6]C[3x5,6,6]C[3,3,6]C)2(C[3,3,6]C[3,3,6]C[3,5,6]C)2(C[6a]C[6a]2){2|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]B[3x3,5]C[6a])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,4|C<4>}	121.6090	3.253	2	121.6090	10.580	2	121.6090	10.580	2	121.7963	10.372	8	121.7963	10.372	8	122.0071	13.320	71
643	442	643	6:SP2_SP2_SPD5	C[6,6a]	B[3,3,6,6]	C[6,6a]	5:3:3:	5:3:3:2:2:	3:3:3:	B[3,3,6,6]-5:C[6,6a]-3:C[6a]-3:	B[3,3,6,6]-5:C[6,6a]-3:C[6,6a]-3:H[3]-2:H[3]-2:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](B[3,3,6,6]B[3,3,6,6]C[6,6a]H[3]2)(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)	B[3,3,6,6](B[3,3,6,6]C[6,6a]2H[3]2)(C[6,6a]C[6,6a]C[6a])2(H[3]B[3,3,6,6])2	C[6,6a](C[6,6a]B[3,3,6,6]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](B[3,3,6,6]B[3,3,6,6]C[6,6a]H[3]2)(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	B[3,3,6,6](B[3,3,6,6]C[6,6a]2H[3]2)(C[6,6a]C[6,6a]C[6a])2(H[3]B[3,3,6,6])2{2|H<1>,8|C<3>}	C[6,6a](C[6,6a]B[3,3,6,6]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H){1|B<5>,2|H<2>,3|H<1>,4|C<3>}	120.5438	0.230	4	120.5438	0.053	4	120.5438	0.053	4	120.5438	0.053	4	120.5438	0.053	4	121.7408	3.471	6
643	442	643	6:SP2_SP2_SPD5	C[6,6a]	B[3,3,6]	C[6,6a]	5:3:3:	5:3:2:2:1:	3:3:3:	B[3,3,6]-5:C[6,6a]-3:C[6a]-3:	B[3,3,6]-5:C[6,6a]-3:H[3]-2:H[3]-2:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](B[3,3,6]B[3,3,6]H[3]2H)(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)	B[3,3,6](B[3,3,6]C[6,6a]H[3]2H)(C[6,6a]C[6,6a]C[6a])(H[3]B[3,3,6])2(H)	C[6,6a](C[6,6a]B[3,3,6]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](B[3,3,6]B[3,3,6]H[3]2H)(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	B[3,3,6](B[3,3,6]C[6,6a]H[3]2H)(C[6,6a]C[6,6a]C[6a])(H[3]B[3,3,6])2(H){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]B[3,3,6]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H){1|B<5>,2|H<2>,3|C<3>,4|H<1>}	124.1350	0.038	2	124.1350	0.001	2	124.1350	0.001	2	124.1350	0.001	2	124.1350	0.001	2	121.7408	3.471	6
643	442	727	0:SP2_SP2_SPD5	C[6a]	B[3,3]	C[5,6a]	5:3:3:	5:3:2:2:1:	3:3:4:	B[3,3]-5:C[5,6a]-3:C[5,6a]-3:	B[3,3]-5:C[6a]-3:H[3]-2:H[3]-2:H-1:	C[6a]-3:C[5,6a]-3:C[5]-4:	C[6a](B[3,3]B[3,3]H[3]2H)(C[5,6a]C[5,6a]C[5])2	B[3,3](B[3,3]C[6a]H[3]2H)(C[6a]C[5,6a]2)(H[3]B[3,3])2(H)	C[5,6a](C[6a]C[5,6a]B[3,3])(C[5,6a]C[6a]C[5])(C[5]C[5]CC)	C[6a](B[3,3]B[3,3]H[3]2H)(C[5,6a]C[5,6a]C[5])2{1|H<1>,2|C<3>,8|C<4>}	B[3,3](B[3,3]C[6a]H[3]2H)(C[6a]C[5,6a]2)(H[3]B[3,3])2(H){2|C<4>,4|C<3>}	C[5,6a](C[6a]C[5,6a]B[3,3])(C[5,6a]C[6a]C[5])(C[5]C[5]CC){1|B<5>,1|C<3>,2|H<2>,3|C<4>,4|H<1>}	121.6673	4.254	12	121.6673	18.099	12	121.6673	18.099	12	121.6673	18.099	12	121.6673	18.099	12	121.6476	16.547	14
643	442	727	0:SP2_SP2_SPD5	C[6a]	B[3]	C[5,6a]	3:3:5:	4:3:2:1:1:	3:3:4:	C[5,6a]-3:C[5,6a]-3:B[3]-5:	B[3]-4:C[6a]-3:H[3]-2:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a](C[5,6a]C[5,6a]C[5])2(B[3]B[3]H[3]HH)	B[3](B[3]C[6a]H[3]H)(C[6a]C[5,6a]2)(H[3]B[3])(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]B[3])(C[5]C[5]CC)	C[6a](C[5,6a]C[5,6a]C[5])2(B[3]B[3]H[3]HH){1|H<1>,2|C<3>,8|C<4>}	B[3](B[3]C[6a]H[3]H)(C[6a]C[5,6a]2)(H[3]B[3])(H)2{2|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]B[3])(C[5]C[5]CC){1|B<4>,1|C<3>,1|H<2>,3|C<4>,5|H<1>}	121.5300	3.999	2	121.5300	15.995	2	121.5300	15.995	2	121.5300	15.995	2	121.5300	15.995	2	121.6476	16.547	14
643	442	769	0:SP2_SP2_SPD5	C[6a]	B[3,3]	C[4,6a]	5:3:3:	3:5:5:2:1:	3:3:3:	B[3,3]-5:C[4,6a]-3:C[6a]-3:	C[6a]-3:B[3,3]-5:B[3]-5:H[3]-2:H-1:	C[4,6a]-3:C[4,6a]-3:C[6a]-3:	C[6a](B[3,3]B[3,3]B[3]H[3]H)(C[4,6a]C[4,6a]2)(C[6a]C[6a]H)	B[3,3](C[6a]C[4,6a]C[6a])(B[3,3]B[3]H[3]HH)(B[3]B[3,3]HHP)(H[3]B[3,3])(H)	C[4,6a](C[4,6a]C[4,6a]C[6a])2(C[6a]B[3,3]C[6a])	C[6a](B[3,3]B[3,3]B[3]H[3]H)(C[4,6a]C[4,6a]2)(C[6a]C[6a]H){1|P<4>,3|C<3>,5|H<1>}	B[3,3](C[6a]C[4,6a]C[6a])(B[3,3]B[3]H[3]HH)(B[3]B[3,3]HHP)(H[3]B[3,3])(H){1|H<1>,3|C<3>}	C[4,6a](C[4,6a]C[4,6a]C[6a])2(C[6a]B[3,3]C[6a]){1|H<2>,1|P<4>,2|B<5>,3|C<3>,3|H<1>}	121.7560	0.000	1	121.7560	0.000	1	121.7560	0.000	1	121.7560	0.000	1	121.7703	0.014	3	121.7703	0.014	3
643	442	769	0:SP2_SP2_SPD5	C[6a]	B[3,3]	C[4,6a]	5:3:3:	5:3:5:3:2:	3:3:3:	B[3,3]-5:C[4,6a]-3:C[6a]-3:	B[3,3]-5:C[6a]-3:B[3]-5:C[6a]-3:H[3]-2:	C[4,6a]-3:C[4,6a]-3:C[6a]-3:	C[6a](B[3,3]B[3,3]C[6a]B[3]H[3])(C[4,6a]C[4,6a]2)(C[6a]C[6a]H)	B[3,3](B[3,3]C[6a]B[3]H[3]H)(C[6a]C[4,6a]C[6a])(B[3]B[3,3]HHP)(C[6a]C[6a]2)(H[3]B[3,3])	C[4,6a](C[4,6a]C[4,6a]C[6a])2(C[6a]B[3,3]C[6a])	C[6a](B[3,3]B[3,3]C[6a]B[3]H[3])(C[4,6a]C[4,6a]2)(C[6a]C[6a]H){1|P<4>,4|H<1>,6|C<3>}	B[3,3](B[3,3]C[6a]B[3]H[3]H)(C[6a]C[4,6a]C[6a])(B[3]B[3,3]HHP)(C[6a]C[6a]2)(H[3]B[3,3]){1|H<1>,2|F<1>,7|C<3>}	C[4,6a](C[4,6a]C[4,6a]C[6a])2(C[6a]B[3,3]C[6a]){1|H<2>,1|P<4>,2|B<5>,2|H<1>,4|C<3>}	121.7775	0.166	2	121.7775	0.028	2	121.7775	0.028	2	121.7775	0.028	2	121.7703	0.014	3	121.7703	0.014	3
643	449	643	0:SP2_SP2_SP2	C[6a,6a]	As[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a,6a]-3:As[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a](C[6a,6a]C[6a]N[6a])(As[6a]C[6a,6a])(C[6a]C[6a]H)	As[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a](C[6a,6a]C[6a,6a]As[6a])(C[6a]C[6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(As[6a]C[6a,6a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	As[6a](C[6a,6a]C[6a,6a]C[6a])2{1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]As[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	117.9795	0.353	4	117.9795	0.125	4	117.9795	0.125	4	117.9795	0.125	4	117.9795	0.125	4	117.9795	0.125	4
643	449	643	6:SP2_SP2_SP2	C[6a,6a]	As[6a]	C[6a,6a]	3:2:3:	3:3:	3:3:3:	C[6a,6a]-3:As[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]N[6a])(As[6a]C[6a,6a])(C[6a]C[6a]H)	As[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a,6a](C[6a,6a]As[6a]C[6a])(N[6a]C[6a,6a]H)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(As[6a]C[6a,6a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	As[6a](C[6a,6a]C[6a,6a]C[6a])2{1|N<3>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]As[6a]C[6a])(N[6a]C[6a,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	122.3320	0.872	4	122.3320	0.760	4	122.3320	0.760	4	122.3320	0.760	4	122.3320	0.760	4	122.3320	0.760	4
643	466	643	0:SP2_SP2_SP2	C[6a]	C[6]	C[6a]	3:3:4:	3:3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:C[6]-4:	N[6]-3:N[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]N[6]2H)	C[6](N[6]C[5a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]N[6]2H){3|H<1>,4|C<3>}	C[6](N[6]C[5a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){1|H<1>,1|N<2>,1|O<1>,1|O<2>,1|S<2>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH){1|C<3>,2|N<3>,3|H<1>}	117.9020	0.000	1	117.9020	0.000	1	117.9020	0.000	1	117.9020	0.000	1	119.2555	3.664	2	119.2555	3.664	2
643	466	643	0:SP2_SP2_SP2	C[6a]	C[6]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:N[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]N[6]O)(N[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|N<2>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]N[6]O)(N[6]C[6])(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,3|H<1>}	120.6090	0.000	1	120.6090	0.000	1	120.6090	0.000	1	120.6090	0.000	1	119.2555	3.664	2	119.2555	3.664	2
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	3:3:4:	3:4:4:1:	3:3:4:	C[6,6,6a]-3:C[6,6,6a]-3:C[3x6]-4:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-4:H-1:	C[6,6,6a]-3:C[6,6,6a]-3:C[3x6]-4:	C[6,6,6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6,6,6a]C[5,6a]C[3x6])(C[3x6]C[6,6]2H)	C[3x6](C[6,6,6a]C[6,6,6a]2)(C[6,6]C[6,6]HH)2(H)	C[6,6,6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6,6,6a]C[5,6a]C[3x6])(C[3x6]C[6,6]2H)	C[6,6,6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6,6,6a]C[5,6a]C[3x6])(C[3x6]C[6,6]2H){1|C<3>,6|C<4>,6|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]2)(C[6,6]C[6,6]HH)2(H){2|C<3>,2|C<4>,4|H<1>}	C[6,6,6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6,6,6a]C[5,6a]C[3x6])(C[3x6]C[6,6]2H){2|C<3>,5|C<4>,6|H<1>}	128.0285	0.977	6	126.7102	2.443	12	126.8475	1.357	24	126.8475	1.357	24	126.9017	1.287	26	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	3:3:4:	3:4:4:1:	3:3:4:	C[6,6,6a]-3:C[6,6,6a]-3:C[3x6]-4:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-4:H-1:	C[6,6,6a]-3:C[6,6,6a]-3:C[3x6]-4:	C[6,6,6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6,6,6a]C[5,6a]C[3x6])(C[3x6]C[6,6]2H)	C[3x6](C[6,6,6a]C[6,6,6a]2)(C[6,6]C[6,6]HH)2(H)	C[6,6,6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6,6,6a]C[5,6a]C[3x6])(C[3x6]C[6,6]2H)	C[6,6,6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6,6,6a]C[5,6a]C[3x6])(C[3x6]C[6,6]2H){2|C<3>,5|C<4>,6|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]2)(C[6,6]C[6,6]HH)2(H){2|C<3>,2|C<4>,4|H<1>}	C[6,6,6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6,6,6a]C[5,6a]C[3x6])(C[3x6]C[6,6]2H){1|C<3>,6|C<4>,6|H<1>}	125.3920	0.501	6	126.7102	2.443	12	126.8475	1.357	24	126.8475	1.357	24	126.9017	1.287	26	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	3:3:4:	3:4:4:1:	3:3:4:	C[6,6,6a]-3:C[6,6,6a]-3:C[3x6]-4:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-4:H-1:	C[6,6,6a]-3:C[6,6,6a]-3:C[3x6]-4:	C[6,6,6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6,6,6a]C[5a,6a]C[3x6])(C[3x6]C[6,6]2H)	C[3x6](C[6,6,6a]C[6,6,6a]2)(C[6,6]C[6,6]HH)2(H)	C[6,6,6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6,6,6a]C[5a,6a]C[3x6])(C[3x6]C[6,6]2H)	C[6,6,6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6,6,6a]C[5a,6a]C[3x6])(C[3x6]C[6,6]2H){1|C<3>,1|S<2>,5|C<4>,6|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]2)(C[6,6]C[6,6]HH)2(H){2|C<3>,2|C<4>,4|H<1>}	C[6,6,6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6,6,6a]C[5a,6a]C[3x6])(C[3x6]C[6,6]2H){2|C<3>,5|C<4>,6|H<1>}	127.4043	0.813	3	126.9177	0.682	6	126.8475	1.357	24	126.8475	1.357	24	126.9017	1.287	26	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	3:3:4:	3:4:4:1:	3:3:4:	C[6,6,6a]-3:C[6,6,6a]-3:C[3x6]-4:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-4:H-1:	C[6,6,6a]-3:C[6,6,6a]-3:C[3x6]-4:	C[6,6,6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6,6,6a]C[5a,6a]C[3x6])(C[3x6]C[6,6]2H)	C[3x6](C[6,6,6a]C[6,6,6a]2)(C[6,6]C[6,6]HH)2(H)	C[6,6,6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6,6,6a]C[5a,6a]C[3x6])(C[3x6]C[6,6]2H)	C[6,6,6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6,6,6a]C[5a,6a]C[3x6])(C[3x6]C[6,6]2H){2|C<3>,5|C<4>,6|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]2)(C[6,6]C[6,6]HH)2(H){2|C<3>,2|C<4>,4|H<1>}	C[6,6,6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6,6,6a]C[5a,6a]C[3x6])(C[3x6]C[6,6]2H){1|C<3>,1|S<2>,5|C<4>,6|H<1>}	126.4310	0.578	3	126.9177	0.682	6	126.8475	1.357	24	126.8475	1.357	24	126.9017	1.287	26	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	3:3:4:	3:4:4:1:	3:3:4:	C[6,6,6a]-3:C[6,6,6a]-3:C[3x6]-4:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-4:H-1:	C[6,6,6a]-3:C[6,6,6a]-3:C[3x6]-4:	C[6,6,6a](C[6,6,6a]C[6,6,6a]C[3x6])2(C[3x6]C[6,6]2H)	C[3x6](C[6,6,6a]C[6,6,6a]2)(C[6,6]C[6,6]HH)2(H)	C[6,6,6a](C[6,6,6a]C[6,6,6a]C[3x6])2(C[3x6]C[6,6]2H)	C[6,6,6a](C[6,6,6a]C[6,6,6a]C[3x6])2(C[3x6]C[6,6]2H){1|C<3>,6|C<4>,6|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]2)(C[6,6]C[6,6]HH)2(H){2|C<3>,2|C<4>,4|H<1>}	C[6,6,6a](C[6,6,6a]C[6,6,6a]C[3x6])2(C[3x6]C[6,6]2H){1|C<3>,6|C<4>,6|H<1>}	127.0517	0.291	6	127.0517	0.085	6	126.8475	1.357	24	126.8475	1.357	24	126.9017	1.287	26	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	3:4:3:	4:3:3:1:	3:4:3:	C[6,6,6a]-3:C[3x6]-4:C[6,6,6a]-3:	C[5,6,6]-4:C[6,6,6a]-3:C[6,6]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6,6,6a]-3:	C[6,6,6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[3x6]C[5,6,6]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6,6a]C[6,6,6a]2)(C[6,6]C[6,6]H)(H)	C[6,6,6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[3x6]C[5,6,6]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])	C[6,6,6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[3x6]C[5,6,6]C[6,6]H)(C[6,6,6a]C[3x6]C[6a]){3|C<4>,4|C<3>,5|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6,6a]C[6,6,6a]2)(C[6,6]C[6,6]H)(H){1|N<3>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[6,6,6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[3x6]C[5,6,6]C[6,6]H)(C[6,6,6a]C[3x6]C[6a]){3|C<4>,4|C<3>,5|H<1>}	127.5520	0.171	2	127.5520	0.029	2	127.5520	0.029	2	127.5520	0.029	2	126.9017	1.287	26	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6a]	3:4:3:	3:4:2:1:	3:3:3:	C[6,6,6a]-3:C[3x6]-4:C[6,6a]-3:	C[6,6,6a]-3:C[6,6]-4:O[6,6]-2:H-1:	C[6,6,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]O[6,6]H)(C[6,6a]C[6,6a]C[6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6,6a])(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(H)	C[6,6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]O[6,6]H)(C[6,6a]C[6,6a]C[6]){1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6,6a])(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6,6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6,6a]C[6a]C[6])(C[6]C[5a,6]O){1|H<1>,1|O<1>,2|C<3>,2|C<4>,3|O<2>}	128.3226	0.246	5	128.3226	0.061	5	128.3226	0.061	5	128.3226	0.061	5	128.3226	0.061	5	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a,6a]	3:3:4:	3:3:3:1:	3:3:3:	C[6a,6a]-3:C[6,6,6a]-3:C[3x6]-4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6a]-3:C[6a,6a]-3:	C[6,6,6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a,6a])(C[6,6,6a]C[6,6,6a]C[6a])2(H)	C[6a,6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[3x6a]C[6a,6a]C[3x6a])(C[6a,6a]C[3x6a]C[6a])	C[6,6,6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H){2|H<1>,8|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a,6a])(C[6,6,6a]C[6,6,6a]C[6a])2(H){1|C<4>,2|H<1>,7|C<3>}	C[6a,6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[3x6a]C[6a,6a]C[3x6a])(C[6a,6a]C[3x6a]C[6a]){1|C<4>,2|H<1>,8|C<3>}	129.0410	0.000	1	129.0410	0.000	1	129.0410	0.000	1	129.0410	0.000	1	126.9317	3.432	3	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a,6a]	4:3:3:	3:4:3:1:	3:3:3:	C[3x6]-4:C[6a,6a]-3:C[6,6,6a]-3:	C[6,6,6a]-3:C[5,6,6]-4:C[6,6]-3:H-1:	C[6,6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6,6a](C[3x6]C[5,6,6]C[6,6]H)(C[6a,6a]C[6a,6a]C[6a])(C[6,6,6a]C[3x6]C[6a])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a,6a])(C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]H)(H)	C[6a,6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[5,6,6]C[6,6]H)(C[6a,6a]C[6a,6a]C[6a])(C[6,6,6a]C[3x6]C[6a]){1|C<4>,5|C<3>,5|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a,6a])(C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]H)(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[6a,6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	126.1860	0.000	1	126.1860	0.000	1	126.1860	0.000	1	126.1860	0.000	1	126.9317	3.432	3	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a,6a]	4:3:3:	6:3:3:1:	3:3:3:	C[3x6]-4:C[6a,6a]-3:C[6,6,6a]-3:	C[5x3,5x5,22x6]-6:C[6,6,6a]-3:C[6,6]-3:H-1:	C[6,6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6,6a](C[3x6]C[5x3,5x5,22x6]C[6,6]H)(C[6a,6a]C[6a,6a]C[6a])(C[6,6,6a]C[3x6]C[6a])	C[3x6](C[5x3,5x5,22x6]B[5x3,5x5,20x6]4C[5x3,5x5,22x6])(C[6,6,6a]C[6,6,6a]C[6a,6a])(C[6,6]C[6,6]H)(H)	C[6a,6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[5x3,5x5,22x6]C[6,6]H)(C[6a,6a]C[6a,6a]C[6a])(C[6,6,6a]C[3x6]C[6a]){1|C<6>,4|B<6>,4|C<3>,4|H<1>}	C[3x6](C[5x3,5x5,22x6]B[5x3,5x5,20x6]4C[5x3,5x5,22x6])(C[6,6,6a]C[6,6,6a]C[6a,6a])(C[6,6]C[6,6]H)(H){1|C<4>,3|C<3>,5|B<6>,5|H<1>}	C[6a,6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|C<6>,3|C<3>,4|H<1>}	125.5680	0.000	1	125.5680	0.000	1	125.5680	0.000	1	125.5680	0.000	1	126.9317	3.432	3	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	3:3:4:	3:3:3:1:	3:3:3:	C[6,6,6a]-3:C[6a]-3:C[3x6]-4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[5a,6a]-3:C[5a]-3:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[6a]C[5a,6a]C[5a])(C[3x6]C[6,6,6a]2H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]S[5a])	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[6a]C[5a,6a]C[5a])(C[3x6]C[6,6,6a]2H){1|H<1>,1|N<2>,1|S<2>,7|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,2|H<1>,7|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]S[5a]){1|C<4>,1|N<2>,1|S<2>,2|H<1>,5|C<3>}	125.1130	0.000	1	125.1130	0.000	1	125.1130	0.000	1	125.4675	1.124	4	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	3:3:4:	3:3:3:1:	3:3:3:	C[6,6,6a]-3:C[6a]-3:C[3x6]-4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[6a]C[5a,6a]C[6a])(C[3x6]C[6,6,6a]2H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[6a]C[5a,6a]C[6a])(C[3x6]C[6,6,6a]2H){1|H<1>,1|N<2>,8|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,2|H<1>,7|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2){1|C<4>,1|N<2>,1|S<2>,3|H<1>,5|C<3>}	125.0035	1.083	2	125.0035	1.172	2	125.0035	1.172	2	125.4675	1.124	4	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	3:3:4:	3:3:3:1:	3:3:3:	C[6,6,6a]-3:C[6a]-3:C[3x6]-4:	C[6,6,6a]-3:C[6,6]-3:C[6,6]-3:H-1:	C[6,6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a,6a]C[6a])(C[3x6]C[6,6]2H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C)(C[6,6]C[6,6]H)(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a,6a]C[6a])(C[3x6]C[6,6]2H){3|H<1>,7|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C)(C[6,6]C[6,6]H)(H){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|C<4>,4|H<1>,7|C<3>}	126.7500	0.000	1	126.7500	0.000	1	126.7500	0.000	1	125.4675	1.124	4	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	3:3:4:	3:3:3:1:	3:3:4:	C[6,6,6a]-3:C[6a]-3:C[3x6]-4:	C[6,6,6a]-3:C[6,6]-3:C[6,6]-3:H-1:	C[6,6,6a]-3:C[6a,6a]-3:C[5]-4:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a,6a]C[5])(C[3x6]C[6,6]2H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C)(C[6,6]C[6,6]H)(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a,6a]C[6a,6a]C[6a])(C[5]C[5]2Fe)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a,6a]C[5])(C[3x6]C[6,6]2H){1|Fe<10>,2|H<1>,3|C<4>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C)(C[6,6]C[6,6]H)(H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a,6a]C[6a,6a]C[6a])(C[5]C[5]2Fe){3|C<4>,4|H<1>,5|C<3>}	126.2880	0.653	2	126.2880	0.427	2	126.2880	0.427	2	126.2880	0.427	2	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	3:4:3:	3:3:3:1:	3:2:1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:N[6a]-2:Cl-1:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]N[6a]Cl)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(N[6a]N[6a])(Cl)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]N[6a]Cl){1|H<1>,1|N<2>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|Cl<1>,1|C<4>,1|N<2>,2|H<1>,5|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(N[6a]N[6a])(Cl){1|C<4>,1|H<1>,3|C<3>}	129.1610	0.000	1	129.1610	0.000	1	129.1610	0.000	1	129.1610	0.000	1	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	3:4:3:	3:3:3:1:	3:2:2:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:N[6a]-2:O-2:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]N[6a]O)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(N[6a]N[6a])(OC)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]N[6a]O){1|H<1>,1|N<2>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,1|N<2>,1|O<2>,2|H<1>,5|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(N[6a]N[6a])(OC){1|C<4>,1|H<1>,3|C<3>}	128.0260	0.512	2	128.0260	0.262	2	128.0260	0.262	2	128.0260	0.262	2	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	3:4:3:	3:3:3:1:	3:3:1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[3x6]-3:C[3x6]-3:H-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[3x6]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]C[3x6]C[6])2(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]O)(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[3x6]2H)(C[6a]C[6a]H){1|O<2>,2|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]C[3x6]C[6])2(H){1|C<4>,3|H<1>,6|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	125.5910	0.126	2	125.5910	0.016	2	125.5910	0.016	2	126.2655	0.829	786	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	3:4:3:	3:3:3:1:	3:3:1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[3x6]-3:C[6,6]-3:H-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[6,6,6a]C[4x6]C[6a])(C[3x6]C[3x6]C[6,6]H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]C[4x6]C[6])(C[6,6]C[6,6]H)(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[6,6,6a]C[4x6]C[6a])(C[3x6]C[3x6]C[6,6]H)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]C[4x6]C[6])(C[6,6]C[6,6]H)(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	126.4725	0.469	2	126.4725	0.220	2	126.5497	0.128	3	126.2655	0.829	786	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	3:4:3:	3:3:3:1:	3:3:1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[3x6]-3:C[6,6]-3:H-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[6,6,6a]C[5,3x6]C[6a])(C[3x6]C[3x6]C[6,6]H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]C[3x6]C[6])(C[6,6]C[5,6,6]C)(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[6,6,6a]C[5,3x6]C[6a])(C[3x6]C[3x6]C[6,6]H)(C[6a]C[6a]H){1|C<2>,1|C<4>,2|H<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]C[3x6]C[6])(C[6,6]C[5,6,6]C)(H){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	126.7040	0.000	1	126.7040	0.000	1	126.5497	0.128	3	126.2655	0.829	786	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	3:4:3:	3:3:3:1:	3:3:1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:Br-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2Br)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(Br)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2Br)(C[6a]C[6a]H){1|Br<1>,2|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(Br){1|C<4>,3|H<1>,6|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,1|H<1>,3|C<3>}	127.6048	0.709	6	127.6048	0.503	6	127.6048	0.503	6	126.2655	0.829	786	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	3:4:3:	3:3:3:1:	3:3:1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[5a,6a]-3:H-1:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[5a,6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[5a,6a]C[5a,6a]N[5a])(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[5a,6a]H){1|N<2>,2|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,2|H<1>,7|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[5a,6a]C[5a,6a]N[5a])(H){1|C<4>,1|H<1>,1|N<2>,1|S<2>,3|C<3>}	125.7350	0.782	5	125.5833	0.183	26	125.5833	0.183	26	126.2655	0.829	786	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	3:4:3:	3:3:3:1:	3:3:1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[5a,6a]-3:H-1:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[5a,6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[5a,6a]C[5a,6a]N[5a])(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[5a,6a]H){1|N<2>,2|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,3|H<1>,6|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[5a,6a]C[5a,6a]N[5a])(H){1|C<4>,1|H<1>,1|N<2>,1|S<2>,3|C<3>}	125.4935	0.174	15	125.5833	0.183	26	125.5833	0.183	26	126.2655	0.829	786	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	3:4:3:	3:3:3:1:	3:3:1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[5a,6a]-3:H-1:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[5a,6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[5a,6a]C[5a,6a]N[5a])(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[5a,6a]H){1|N<2>,2|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,3|H<1>,6|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[5a,6a]C[5a,6a]N[5a])(H){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	125.1960	0.014	3	125.5833	0.183	26	125.5833	0.183	26	126.2655	0.829	786	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	3:4:3:	3:3:3:1:	3:3:1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[5a,6a]-3:H-1:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[5a,6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[5a,6a]C[5a,6a]N[5a])(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[5a,6a]H){1|N<3>,2|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,3|H<1>,6|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[5a,6a]C[5a,6a]N[5a])(H){1|C<4>,1|N<2>,2|H<1>,4|C<3>}	126.1667	0.013	3	125.5833	0.183	26	125.5833	0.183	26	126.2655	0.829	786	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	3:4:3:	3:3:3:1:	3:3:1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[6,6a]-3:H-1:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6,6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6,6a]C[6,6a]N[6])(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6,6a]H){1|N<2>,2|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,3|H<1>,6|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6,6a]C[6,6a]N[6])(H){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	126.1110	0.000	1	126.4455	0.224	2	126.4455	0.224	2	126.2655	0.829	786	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	3:4:3:	3:3:3:1:	3:3:1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[6,6a]-3:H-1:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6,6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6,6a]C[6,6a]N[6])(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6,6a]H){1|N<3>,2|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,3|H<1>,6|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6,6a]C[6,6a]N[6])(H){1|Cu<3>,1|C<4>,1|H<1>,1|N<2>,4|C<3>}	126.7800	0.000	1	126.4455	0.224	2	126.4455	0.224	2	126.2655	0.829	786	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	3:4:3:	3:3:3:1:	3:3:1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[6a,6a]-3:H-1:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a,6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a,6a]C[6a,6a]C[6a])(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a,6a]H){2|H<1>,6|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,3|H<1>,6|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a,6a]C[6a,6a]C[6a])(H){1|C<4>,2|H<1>,5|C<3>}	126.7185	0.570	17	126.7185	0.325	17	126.5280	0.464	31	126.2655	0.829	786	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	3:4:3:	3:3:3:1:	3:3:1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[6a,6a]-3:H-1:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a,6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a,6a]C[6a,6a]N[6a])(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a,6a]H){1|N<2>,2|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,3|H<1>,6|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a,6a]C[6a,6a]N[6a])(H){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	126.4530	0.493	13	126.4530	0.243	13	126.5280	0.464	31	126.2655	0.829	786	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	3:4:3:	3:3:3:1:	3:3:1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[6a,6a]-3:H-1:	C[6,6,6a](C[6,6,6a]C[6a,6a]C[3x6])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a,6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a,6a])(C[6,6,6a]C[6,6,6a]C[6a])2(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a,6a]C[6a,6a]C[3x6a])(H)	C[6,6,6a](C[6,6,6a]C[6a,6a]C[3x6])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a,6a]H){1|H<1>,7|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a,6a])(C[6,6,6a]C[6,6,6a]C[6a])2(H){1|C<4>,2|H<1>,7|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a,6a]C[6a,6a]C[3x6a])(H){1|C<4>,1|H<1>,6|C<3>}	124.2650	0.000	1	124.2650	0.000	1	126.5280	0.464	31	126.2655	0.829	786	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	3:4:3:	3:3:3:1:	3:3:1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[6a]-3:Br-1:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]Br)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]O)(Br)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]Br){1|O<2>,2|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|Br<1>,1|C<4>,2|H<1>,6|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]O)(Br){1|H<1>,2|C<4>,3|C<3>}	128.1227	0.337	6	128.1227	0.114	6	128.1227	0.114	6	126.2655	0.829	786	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	3:4:3:	3:3:3:1:	3:3:1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[6a]-3:Cl-1:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]Cl)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(Cl)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]Cl){1|Cl<1>,1|Si<4>,1|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|Cl<1>,1|C<4>,2|H<1>,6|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(Cl){1|C<4>,2|H<1>,3|C<3>}	125.2510	0.000	1	125.2510	0.000	1	125.2510	0.000	1	126.2655	0.829	786	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	3:4:3:	3:3:3:1:	3:3:1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[5a,6a])2(C[6,6,6a]C[6,6,6a]C[6a])(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[5a,6a])2(C[6,6,6a]C[6,6,6a]C[6a])(H){1|C<4>,1|H<1>,2|O<2>,6|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	125.9910	0.608	2	125.9910	0.370	2	126.2685	0.790	692	126.2655	0.829	786	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	3:4:3:	3:3:3:1:	3:3:1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a,6a])(C[6,6,6a]C[6,6,6a]C[6a])2(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a,6a])(C[6,6,6a]C[6,6,6a]C[6a])2(H){1|C<4>,2|H<1>,7|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	124.9180	0.000	1	124.9180	0.000	1	126.2685	0.790	692	126.2655	0.829	786	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	3:4:3:	3:3:3:1:	3:3:1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6,6a]C[6,6,6a]N[6a])(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|N<2>,3|H<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6,6a]C[6,6,6a]N[6a])(H){1|C<4>,1|N<2>,2|H<1>,5|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	126.6106	0.442	7	126.6106	0.195	7	126.2685	0.790	692	126.2655	0.829	786	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	3:4:3:	3:3:3:1:	3:3:1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6,6a]C[6,6,6a]N[6a])(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]N)(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|N<2>,1|N<3>,2|H<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6,6a]C[6,6,6a]N[6a])(H){1|C<4>,1|N<2>,2|H<1>,5|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]N)(H){1|C<4>,2|H<1>,3|C<3>}	125.5337	0.772	3	125.5337	0.596	3	126.2685	0.790	692	126.2655	0.829	786	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	3:4:3:	3:3:3:1:	3:3:1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6,6a]C[6,6,6a]N[6a])(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]N[5a])(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|N<2>,1|N<3>,2|H<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6,6a]C[6,6,6a]N[6a])(H){1|C<4>,1|N<2>,2|H<1>,5|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]N[5a])(H){1|C<4>,2|H<1>,5|C<3>}	125.8500	0.345	2	125.8500	0.119	2	126.2685	0.790	692	126.2655	0.829	786	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	3:4:3:	3:3:3:1:	3:3:1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6,6a]C[6,6,6a]N[6a])(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]N[6])(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|N<2>,1|N<3>,2|H<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6,6a]C[6,6,6a]N[6a])(H){1|C<4>,1|N<2>,2|H<1>,5|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]N[6])(H){1|C<4>,2|H<1>,5|C<3>}	126.5325	0.568	2	126.5325	0.322	2	126.2685	0.790	692	126.2655	0.829	786	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	3:4:3:	3:3:3:1:	3:3:1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]2)(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,3|H<1>,6|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]2)(H){1|C<4>,1|H<1>,6|C<3>}	126.8095	0.232	6	126.8095	0.054	6	126.2685	0.790	692	126.2655	0.829	786	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	3:4:3:	3:3:3:1:	3:3:1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]Br)(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|Br<1>,2|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,3|H<1>,6|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]Br)(H){1|Br<1>,1|C<4>,1|H<1>,3|C<3>}	126.1835	0.314	12	126.1835	0.099	12	126.2685	0.790	692	126.2655	0.829	786	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	3:4:3:	3:3:3:1:	3:3:1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]C)(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|Br<1>,1|C<4>,2|H<1>,6|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	126.0668	0.704	6	126.2234	0.574	63	126.2685	0.790	692	126.2655	0.829	786	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	3:4:3:	3:3:3:1:	3:3:1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]C)(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|C<2>,2|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,3|H<1>,6|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]C)(H){1|C<4>,2|H<1>,3|C<3>}	126.5483	0.084	3	126.2234	0.574	63	126.2685	0.790	692	126.2655	0.829	786	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	3:4:3:	3:3:3:1:	3:3:1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]C)(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,3|H<1>,6|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]C)(H){1|H<1>,2|C<4>,3|C<3>}	126.6855	0.733	12	126.2234	0.574	63	126.2685	0.790	692	126.2655	0.829	786	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	3:4:3:	3:3:3:1:	3:3:1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]C)(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|C<4>,1|H<1>,6|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,3|H<1>,6|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]C)(H){1|H<1>,2|C<4>,3|C<3>}	125.9535	0.662	35	126.2234	0.574	63	126.2685	0.790	692	126.2655	0.829	786	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	3:4:3:	3:3:3:1:	3:3:1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]C)(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,3|H<1>,6|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	127.3425	0.185	4	126.2234	0.574	63	126.2685	0.790	692	126.2655	0.829	786	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	3:4:3:	3:3:3:1:	3:3:1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]C)(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|H<1>,2|C<4>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,3|H<1>,6|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]C)(H){1|H<1>,2|C<4>,3|C<3>}	125.0510	0.000	1	126.2234	0.574	63	126.2685	0.790	692	126.2655	0.829	786	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	3:4:3:	3:3:3:1:	3:3:1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]C)(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,3|H<1>,6|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]C)(H){1|C<4>,2|H<1>,3|C<3>}	126.5050	0.283	2	126.2234	0.574	63	126.2685	0.790	692	126.2655	0.829	786	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	3:4:3:	3:3:3:1:	3:3:1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){2|C<4>,2|H<1>,6|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	121.1670	0.000	1	126.3925	0.691	509	126.2685	0.790	692	126.2655	0.829	786	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	3:4:3:	3:3:3:1:	3:3:1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|C<2>,2|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,3|H<1>,6|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	126.5635	0.269	29	126.3925	0.691	509	126.2685	0.790	692	126.2655	0.829	786	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	3:4:3:	3:3:3:1:	3:3:1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,1|O<2>,2|H<1>,6|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	124.8503	0.409	6	126.3925	0.691	509	126.2685	0.790	692	126.2655	0.829	786	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	3:4:3:	3:3:3:1:	3:3:1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,3|H<1>,6|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	124.9033	0.318	3	126.3925	0.691	509	126.2685	0.790	692	126.2655	0.829	786	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	3:4:3:	3:3:3:1:	3:3:1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,3|H<1>,6|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	126.0135	0.138	8	126.3925	0.691	509	126.2685	0.790	692	126.2655	0.829	786	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	3:4:3:	3:3:3:1:	3:3:1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){2|C<4>,2|H<1>,6|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	126.8900	0.000	1	126.3925	0.691	509	126.2685	0.790	692	126.2655	0.829	786	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	3:4:3:	3:3:3:1:	3:3:1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|Ge<4>,2|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,3|H<1>,6|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	125.8599	0.475	12	126.3925	0.691	509	126.2685	0.790	692	126.2655	0.829	786	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	3:4:3:	3:3:3:1:	3:3:1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|Ge<4>,2|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){2|C<4>,2|H<1>,6|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	124.6220	0.151	2	126.3925	0.691	509	126.2685	0.790	692	126.2655	0.829	786	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	3:4:3:	3:3:3:1:	3:3:1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|I<1>,2|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,3|H<1>,6|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	125.4770	0.000	1	126.3925	0.691	509	126.2685	0.790	692	126.2655	0.829	786	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	3:4:3:	3:3:3:1:	3:3:1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|Ir<5>,1|H<1>,1|P<4>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,3|H<1>,6|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	127.8015	0.142	2	126.3925	0.691	509	126.2685	0.790	692	126.2655	0.829	786	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	3:4:3:	3:3:3:1:	3:3:1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|Ir<5>,2|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,3|H<1>,6|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	125.2070	0.000	1	126.3925	0.691	509	126.2685	0.790	692	126.2655	0.829	786	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	3:4:3:	3:3:3:1:	3:3:1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|Ir<6>,1|H<1>,1|P<4>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,3|H<1>,6|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	126.7728	0.441	4	126.3925	0.691	509	126.2685	0.790	692	126.2655	0.829	786	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	3:4:3:	3:3:3:1:	3:3:1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|Ir<6>,2|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,3|H<1>,6|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	124.5197	0.368	3	126.3925	0.691	509	126.2685	0.790	692	126.2655	0.829	786	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	3:4:3:	3:3:3:1:	3:3:1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|N<3>,2|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,3|H<1>,6|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	126.2753	0.913	18	126.3925	0.691	509	126.2685	0.790	692	126.2655	0.829	786	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	3:4:3:	3:3:3:1:	3:3:1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|O<2>,2|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,3|H<1>,6|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,4|C<3>}	126.3148	0.378	8	126.3925	0.691	509	126.2685	0.790	692	126.2655	0.829	786	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	3:4:3:	3:3:3:1:	3:3:1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|O<2>,2|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,3|H<1>,6|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	126.2448	0.421	6	126.3925	0.691	509	126.2685	0.790	692	126.2655	0.829	786	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	3:4:3:	3:3:3:1:	3:3:1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|O<2>,2|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,3|H<1>,6|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	126.5360	0.598	6	126.3925	0.691	509	126.2685	0.790	692	126.2655	0.829	786	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	3:4:3:	3:3:3:1:	3:3:1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|P<3>,2|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,3|H<1>,6|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	126.0180	0.000	1	126.3925	0.691	509	126.2685	0.790	692	126.2655	0.829	786	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	3:4:3:	3:3:3:1:	3:3:1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|P<4>,2|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,3|H<1>,6|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	124.8204	0.999	7	126.3925	0.691	509	126.2685	0.790	692	126.2655	0.829	786	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	3:4:3:	3:3:3:1:	3:3:1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|Pd<4>,1|H<1>,1|P<4>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,1|O<2>,2|H<1>,6|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	127.8213	0.528	4	126.3925	0.691	509	126.2685	0.790	692	126.2655	0.829	786	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	3:4:3:	3:3:3:1:	3:3:1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|Pt<4>,1|H<1>,1|P<4>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,1|O<2>,2|H<1>,6|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	127.5480	0.215	2	126.3925	0.691	509	126.2685	0.790	692	126.2655	0.829	786	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	3:4:3:	3:3:3:1:	3:3:1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|Pt<4>,1|H<1>,1|P<4>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,3|H<1>,6|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	127.0780	0.185	2	126.3925	0.691	509	126.2685	0.790	692	126.2655	0.829	786	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	3:4:3:	3:3:3:1:	3:3:1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|Pt<4>,2|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,3|H<1>,6|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	125.4400	0.000	1	126.3925	0.691	509	126.2685	0.790	692	126.2655	0.829	786	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	3:4:3:	3:3:3:1:	3:3:1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|Ru<6>,1|H<1>,1|P<4>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,3|H<1>,6|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	126.1030	0.064	2	126.3925	0.691	509	126.2685	0.790	692	126.2655	0.829	786	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	3:4:3:	3:3:3:1:	3:3:1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|Ru<6>,2|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,3|H<1>,6|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	124.4190	0.000	1	126.3925	0.691	509	126.2685	0.790	692	126.2655	0.829	786	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	3:4:3:	3:3:3:1:	3:3:1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|S<1>,2|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,3|H<1>,6|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	125.8303	0.299	3	126.3925	0.691	509	126.2685	0.790	692	126.2655	0.829	786	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	3:4:3:	3:3:3:1:	3:3:1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|S<2>,2|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,3|H<1>,6|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	125.8312	0.297	18	126.3925	0.691	509	126.2685	0.790	692	126.2655	0.829	786	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	3:4:3:	3:3:3:1:	3:3:1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|Se<2>,2|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,3|H<1>,6|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	125.7162	0.307	18	126.3925	0.691	509	126.2685	0.790	692	126.2655	0.829	786	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	3:4:3:	3:3:3:1:	3:3:1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|Si<4>,2|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|Cl<1>,1|C<4>,2|H<1>,6|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	125.7415	0.108	2	126.3925	0.691	509	126.2685	0.790	692	126.2655	0.829	786	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	3:4:3:	3:3:3:1:	3:3:1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,3|H<1>,6|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	125.1230	0.356	6	126.3925	0.691	509	126.2685	0.790	692	126.2655	0.829	786	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	3:4:3:	3:3:3:1:	3:3:1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,3|H<1>,6|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	125.7020	1.135	10	126.3925	0.691	509	126.2685	0.790	692	126.2655	0.829	786	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	3:4:3:	3:3:3:1:	3:3:1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,3|H<1>,6|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){1|Ir<6>,1|C<4>,1|H<1>,3|C<3>}	124.8690	0.641	2	126.3925	0.691	509	126.2685	0.790	692	126.2655	0.829	786	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	3:4:3:	3:3:3:1:	3:3:1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|Br<1>,1|C<4>,2|H<1>,6|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	126.4832	1.027	6	126.3925	0.691	509	126.2685	0.790	692	126.2655	0.829	786	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	3:4:3:	3:3:3:1:	3:3:1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<2>,1|C<4>,2|H<1>,6|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	126.6197	0.287	19	126.3925	0.691	509	126.2685	0.790	692	126.2655	0.829	786	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	3:4:3:	3:3:3:1:	3:3:1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,1|H<1>,2|O<2>,6|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	126.7720	1.829	4	126.3925	0.691	509	126.2685	0.790	692	126.2655	0.829	786	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	3:4:3:	3:3:3:1:	3:3:1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,1|H<1>,2|P<3>,6|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	126.6630	0.000	1	126.3925	0.691	509	126.2685	0.790	692	126.2655	0.829	786	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	3:4:3:	3:3:3:1:	3:3:1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,1|H<1>,2|P<4>,6|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	126.1015	1.164	4	126.3925	0.691	509	126.2685	0.790	692	126.2655	0.829	786	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	3:4:3:	3:3:3:1:	3:3:1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,1|N<2>,1|O<2>,2|H<1>,5|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	126.2053	0.281	4	126.3925	0.691	509	126.2685	0.790	692	126.2655	0.829	786	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	3:4:3:	3:3:3:1:	3:3:1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,1|N<2>,2|H<1>,6|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	126.1210	0.370	8	126.3925	0.691	509	126.2685	0.790	692	126.2655	0.829	786	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	3:4:3:	3:3:3:1:	3:3:1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,1|N<3>,2|H<1>,6|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	126.5378	0.450	18	126.3925	0.691	509	126.2685	0.790	692	126.2655	0.829	786	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	3:4:3:	3:3:3:1:	3:3:1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,1|O<2>,2|H<1>,6|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	126.3302	0.459	42	126.3925	0.691	509	126.2685	0.790	692	126.2655	0.829	786	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	3:4:3:	3:3:3:1:	3:3:1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,2|H<1>,7|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	126.5156	0.422	30	126.3925	0.691	509	126.2685	0.790	692	126.2655	0.829	786	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	3:4:3:	3:3:3:1:	3:3:1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,3|H<1>,6|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){1|C<2>,1|C<4>,1|H<1>,3|C<3>}	126.4133	0.424	3	126.3925	0.691	509	126.2685	0.790	692	126.2655	0.829	786	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	3:4:3:	3:3:3:1:	3:3:1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,3|H<1>,6|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	126.9748	0.698	33	126.3925	0.691	509	126.2685	0.790	692	126.2655	0.829	786	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	3:4:3:	3:3:3:1:	3:3:1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,3|H<1>,6|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	127.4990	0.534	22	126.3925	0.691	509	126.2685	0.790	692	126.2655	0.829	786	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	3:4:3:	3:3:3:1:	3:3:1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,3|H<1>,6|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,4|C<3>}	126.3550	0.109	2	126.3925	0.691	509	126.2685	0.790	692	126.2655	0.829	786	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	3:4:3:	3:3:3:1:	3:3:1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,3|H<1>,6|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	126.5874	0.551	115	126.3925	0.691	509	126.2685	0.790	692	126.2655	0.829	786	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	3:4:3:	3:3:3:1:	3:3:1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,3|H<1>,6|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){1|Pt<4>,1|C<4>,1|H<1>,3|C<3>}	128.2200	0.132	4	126.3925	0.691	509	126.2685	0.790	692	126.2655	0.829	786	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	3:4:3:	3:3:3:1:	3:3:1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|Cl<1>,1|C<4>,1|N<2>,2|H<1>,5|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	126.2610	0.136	2	126.3925	0.691	509	126.2685	0.790	692	126.2655	0.829	786	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	3:4:3:	3:3:3:1:	3:3:1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|H<1>,3|C<4>,6|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	127.2030	0.082	2	126.3925	0.691	509	126.2685	0.790	692	126.2655	0.829	786	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	3:4:3:	3:3:3:1:	3:3:1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]N)(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|N<3>,2|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,3|H<1>,6|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]N)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	125.3598	0.227	6	125.7429	0.326	27	126.2685	0.790	692	126.2655	0.829	786	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	3:4:3:	3:3:3:1:	3:3:1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]N)(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|N<3>,2|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,3|H<1>,6|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]N)(H){1|C<4>,2|H<1>,3|C<3>}	125.8523	0.595	21	125.7429	0.326	27	126.2685	0.790	692	126.2655	0.829	786	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	3:4:3:	3:3:3:1:	3:3:1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]N[6])(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|N<3>,2|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,3|H<1>,6|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]N[6])(H){2|C<4>,2|H<1>,4|C<3>}	125.8883	0.495	12	125.8883	0.245	12	126.2685	0.790	692	126.2655	0.829	786	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	3:4:3:	3:3:3:1:	3:3:1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]O)(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|O<2>,2|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,1|O<2>,2|H<1>,6|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	125.8270	0.335	2	125.9164	0.203	27	126.2685	0.790	692	126.2655	0.829	786	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	3:4:3:	3:3:3:1:	3:3:1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]O)(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|O<2>,2|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,3|H<1>,6|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]O)(H){1|C<4>,2|H<1>,3|C<3>}	125.9332	0.484	22	125.9164	0.203	27	126.2685	0.790	692	126.2655	0.829	786	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	3:4:3:	3:3:3:1:	3:3:1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]O)(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|O<2>,2|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,3|H<1>,6|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]O)(H){1|H<1>,2|C<4>,3|C<3>}	125.8527	0.317	3	125.9164	0.203	27	126.2685	0.790	692	126.2655	0.829	786	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	3:4:3:	3:3:3:1:	3:3:1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]Pt)(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|Pt<4>,2|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,3|H<1>,6|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]Pt)(H){1|C<4>,2|H<1>,3|C<3>}	126.4790	0.930	4	126.4790	0.864	4	126.2685	0.790	692	126.2655	0.829	786	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	3:4:3:	3:3:3:1:	3:3:1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[6,6,6a]C[5a,6a]C[3x6])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[5a,6a]H)(H)	C[6,6,6a](C[6,6,6a]C[5a,6a]C[3x6])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|O<2>,2|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,3|H<1>,6|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[5a,6a]H)(H){1|C<4>,1|H<1>,4|C<3>}	126.0318	0.481	4	126.0318	0.231	4	126.2685	0.790	692	126.2655	0.829	786	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	3:4:3:	3:3:3:1:	3:3:1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[6,6,6a]N[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[6,6,6a]N[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|N<3>,3|H<1>,6|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){1|N<3>,2|H<1>,3|C<3>}	124.5630	0.000	1	124.5630	0.000	1	126.2685	0.790	692	126.2655	0.829	786	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	3:4:3:	3:3:3:1:	3:3:1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[6,6,6a]P[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[6,6,6a]P[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|P<4>,3|H<1>,6|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){1|P<4>,2|H<1>,3|C<3>}	121.9320	0.000	1	123.2276	1.294	10	126.2685	0.790	692	126.2655	0.829	786	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	3:4:3:	3:3:3:1:	3:3:1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[6,6,6a]P[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[6,6,6a]P[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|Rh<4>,1|C<4>,1|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|P<4>,3|H<1>,6|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){1|P<4>,2|H<1>,3|C<3>}	120.8430	0.000	1	123.2276	1.294	10	126.2685	0.790	692	126.2655	0.829	786	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	3:4:3:	3:3:3:1:	3:3:1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[6,6,6a]P[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[6,6,6a]P[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|Rh<4>,2|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|P<4>,3|H<1>,6|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){1|P<4>,2|H<1>,3|C<3>}	123.6876	0.608	8	123.2276	1.294	10	126.2685	0.790	692	126.2655	0.829	786	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	3:4:3:	3:3:3:1:	3:3:1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:I-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2I)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(I)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2I)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(I){1|C<4>,3|H<1>,6|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|I<1>,3|C<3>}	127.7550	0.000	1	127.7550	0.000	1	127.7550	0.000	1	126.2655	0.829	786	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	3:4:3:	3:3:3:1:	3:3:1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:S-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2S)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(S)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2S)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(S){1|C<4>,3|H<1>,6|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<1>,3|C<3>}	125.5100	0.398	3	125.5100	0.158	3	125.5100	0.158	3	126.2655	0.829	786	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	3:4:3:	3:3:3:1:	3:3:1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6]-3:C[6,6]-3:H-1:	C[6,6,6a]-3:C[6a,6a]-3:H-1:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a,6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C)(C[6,6]C[6,6]H)(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a,6a]C[6a,6a]C[6a])(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a,6a]H){2|H<1>,6|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C)(C[6,6]C[6,6]H)(H){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a,6a]C[6a,6a]C[6a])(H){1|C<4>,2|H<1>,5|C<3>}	126.9260	0.000	1	126.9260	0.000	1	126.9260	0.000	1	126.2655	0.829	786	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	3:4:3:	3:3:3:1:	3:3:1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6]-3:C[6,6]-3:H-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]Br)(C[6,6]C[6,6]H)(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]H){1|Br<1>,3|C<3>,4|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]Br)(C[6,6]C[6,6]H)(H){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	127.1125	0.145	2	127.1125	0.021	2	125.4008	1.977	12	126.2655	0.829	786	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	3:4:3:	3:3:3:1:	3:3:1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6]-3:C[6,6]-3:H-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C)(C[6,6]C[6,6]H)(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]H){4|C<3>,4|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C)(C[6,6]C[6,6]H)(H){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	126.9650	0.129	2	126.9650	0.017	2	125.4008	1.977	12	126.2655	0.829	786	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	3:4:3:	3:3:3:1:	3:3:1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6]-3:C[6,6]-3:H-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[6,6,6a]C[4x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[3x6]H)(C[6,6]C[6,6]O)(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[6,6,6a]C[4x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[3x6]H)(C[6,6]C[6,6]O)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	125.2830	0.000	1	125.2830	0.000	1	125.4008	1.977	12	126.2655	0.829	786	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	3:4:3:	3:3:3:1:	3:3:1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6]-3:C[6,6]-3:H-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[6,6,6a]C[5,3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[5,6,6]C[6a])(C[6,6]C[6,6]H)(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[6,6,6a]C[5,3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]H){1|Se<3>,3|H<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[5,6,6]C[6a])(C[6,6]C[6,6]H)(H){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	126.3580	0.000	1	126.3580	0.000	1	125.4008	1.977	12	126.2655	0.829	786	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	3:4:3:	3:3:3:1:	3:3:1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6]-3:C[6,6]-3:H-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[6,6,6a]P[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C)2(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[6,6,6a]P[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]H){1|Pd<2>,2|C<4>,2|H<1>,3|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C)2(H){2|Si<4>,1|H<1>,1|P<4>,2|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){1|P<4>,2|H<1>,3|C<3>}	123.7180	0.190	2	124.1690	0.184	6	125.4008	1.977	12	126.2655	0.829	786	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	3:4:3:	3:3:3:1:	3:3:1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6]-3:C[6,6]-3:H-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[6,6,6a]P[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C)2(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[6,6,6a]P[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]H){1|Pd<5>,2|C<4>,2|H<1>,3|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C)2(H){2|Si<4>,1|H<1>,1|P<4>,2|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){1|P<4>,2|H<1>,3|C<3>}	124.7460	0.000	1	124.1690	0.184	6	125.4008	1.977	12	126.2655	0.829	786	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	3:4:3:	3:3:3:1:	3:3:1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6]-3:C[6,6]-3:H-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[6,6,6a]P[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C)2(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[6,6,6a]P[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]H){1|Pt<2>,2|C<4>,2|H<1>,3|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C)2(H){2|Si<4>,1|H<1>,1|P<4>,2|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){1|P<4>,2|H<1>,3|C<3>}	124.3750	0.223	2	124.1690	0.184	6	125.4008	1.977	12	126.2655	0.829	786	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	3:4:3:	3:3:3:1:	3:3:1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6]-3:C[6,6]-3:H-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[6,6,6a]P[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C)2(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[6,6,6a]P[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C)2(H){2|Si<4>,1|H<1>,1|P<3>,2|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){1|P<3>,2|H<1>,3|C<3>}	124.0820	0.000	1	124.1690	0.184	6	125.4008	1.977	12	126.2655	0.829	786	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	3:4:3:	3:3:3:1:	3:3:2:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[6,6,6a]-3:C-2:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6,6,6a]C)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])2(CC)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6,6,6a]C){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<2>,1|C<4>,2|H<1>,6|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])2(CC){2|C<4>,2|H<1>,5|C<3>}	125.4950	0.655	4	125.4950	0.429	4	125.6126	0.443	8	126.0587	1.804	57	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	3:4:3:	3:3:3:1:	3:3:2:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[6,6,6a]-3:C-2:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6,6,6a]C)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])2(CN)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6,6,6a]C){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<2>,1|C<4>,2|H<1>,6|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])2(CN){2|C<4>,2|H<1>,5|C<3>}	125.7302	0.754	4	125.7302	0.569	4	125.6126	0.443	8	126.0587	1.804	57	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	3:4:3:	3:3:3:1:	3:3:2:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[6,6,6a]-3:O-2:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6,6,6a]O)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])2(OC)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6,6,6a]O){1|C<2>,1|C<4>,1|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,1|O<2>,2|H<1>,6|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])2(OC){2|C<4>,2|H<1>,5|C<3>}	126.2280	0.270	2	125.9924	0.146	8	125.9937	0.378	12	126.0587	1.804	57	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	3:4:3:	3:3:3:1:	3:3:2:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[6,6,6a]-3:O-2:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6,6,6a]O)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])2(OC)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6,6,6a]O){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,1|O<2>,2|H<1>,6|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])2(OC){2|C<4>,2|H<1>,5|C<3>}	125.8310	0.372	2	125.9924	0.146	8	125.9937	0.378	12	126.0587	1.804	57	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	3:4:3:	3:3:3:1:	3:3:2:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[6,6,6a]-3:O-2:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6,6,6a]O)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])2(OC)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6,6,6a]O){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,1|O<2>,2|H<1>,6|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])2(OC){2|C<4>,2|H<1>,5|C<3>}	125.9553	0.463	4	125.9924	0.146	8	125.9937	0.378	12	126.0587	1.804	57	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	3:4:3:	3:3:3:1:	3:3:2:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[6,6,6a]-3:O-2:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6,6,6a]O)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])2(OH)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6,6,6a]O){1|C<2>,1|C<4>,1|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,1|O<2>,2|H<1>,6|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])2(OH){2|C<4>,2|H<1>,5|C<3>}	126.5195	0.878	2	125.9965	1.045	4	125.9937	0.378	12	126.0587	1.804	57	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	3:4:3:	3:3:3:1:	3:3:2:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[6,6,6a]-3:O-2:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6,6,6a]O)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])2(OH)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6,6,6a]O){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,1|O<2>,2|H<1>,6|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])2(OH){2|C<4>,2|H<1>,5|C<3>}	125.4735	1.128	2	125.9965	1.045	4	125.9937	0.378	12	126.0587	1.804	57	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	3:4:3:	3:3:3:1:	3:3:2:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[6,6a]-3:O-2:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6,6a]O)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6,6a]C[6,6a]C[6])(OH)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6,6a]O){1|H<1>,1|O<2>,6|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,1|O<2>,2|H<1>,6|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6,6a]C[6,6a]C[6])(OH){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	125.2455	0.479	2	125.2455	0.229	2	125.2455	0.229	2	126.0587	1.804	57	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	3:4:3:	3:3:3:1:	3:3:2:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[6a,6a]-3:O-2:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a,6a]O)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a,6a]C[6a,6a]C[6a])(OS)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a,6a]O){1|H<1>,1|O<2>,6|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,1|O<2>,2|H<1>,6|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a,6a]C[6a,6a]C[6a])(OS){1|C<4>,2|H<1>,5|C<3>}	128.2910	0.075	2	128.2910	0.006	2	128.2910	0.006	2	126.0587	1.804	57	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	3:4:3:	3:3:3:1:	3:3:2:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[6a]-3:C-2:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]C)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(CN)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]C){1|N<3>,2|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<2>,1|C<4>,2|H<1>,6|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(CN){1|C<4>,2|H<1>,3|C<3>}	125.9955	0.504	2	125.9955	0.254	2	125.9955	0.254	2	126.0587	1.804	57	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	3:4:3:	3:3:3:1:	3:3:2:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[6a]-3:N-2:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]N)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(NC)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]N){1|N<3>,2|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,1|N<2>,2|H<1>,6|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(NC){1|C<4>,2|H<1>,3|C<3>}	125.8180	0.000	1	125.8180	0.000	1	125.8180	0.000	1	126.0587	1.804	57	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	3:4:3:	3:3:3:1:	3:3:2:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[6a]-3:N[6a]-2:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]N[6a])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6,6,6a]N[6a])(N[6a]N[6a])	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]N[6a]){1|Cl<1>,1|H<1>,2|N<2>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,1|N<2>,2|H<1>,6|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6,6,6a]N[6a])(N[6a]N[6a]){1|H<1>,1|N<2>,2|C<4>,4|C<3>}	128.9720	0.000	1	128.7860	0.069	2	128.8523	0.048	3	126.0587	1.804	57	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	3:4:3:	3:3:3:1:	3:3:2:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[6a]-3:N[6a]-2:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]N[6a])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6,6,6a]N[6a])(N[6a]N[6a])	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]N[6a]){1|H<1>,1|O<2>,2|N<2>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,1|N<2>,2|H<1>,6|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6,6,6a]N[6a])(N[6a]N[6a]){1|H<1>,1|N<2>,2|C<4>,4|C<3>}	128.6000	0.000	1	128.7860	0.069	2	128.8523	0.048	3	126.0587	1.804	57	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	3:4:3:	3:3:3:1:	3:3:2:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[6a]-3:N[6a]-2:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]N[6a])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]2)(N[6a]N[6a])	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]N[6a]){1|H<1>,1|N<2>,1|O<2>,6|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,1|N<2>,2|H<1>,6|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]2)(N[6a]N[6a]){1|C<4>,1|F<1>,2|H<1>,5|C<3>}	128.9850	0.000	1	128.9850	0.000	1	128.8523	0.048	3	126.0587	1.804	57	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	3:4:3:	3:3:3:1:	3:3:2:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[6a]-3:O-2:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]O)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]C)(OC)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]O){1|C<4>,2|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,1|H<1>,2|O<2>,6|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]C)(OC){1|C<4>,2|H<1>,3|C<3>}	126.0985	0.717	6	126.0985	0.514	6	125.8179	2.122	27	126.0587	1.804	57	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	3:4:3:	3:3:3:1:	3:3:2:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[6a]-3:O-2:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]O)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]C)(OH)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]O){2|H<1>,6|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,1|H<1>,2|O<2>,6|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]C)(OH){1|C<4>,2|H<1>,3|C<3>}	125.8195	0.342	2	125.8195	0.117	2	125.8179	2.122	27	126.0587	1.804	57	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	3:4:3:	3:3:3:1:	3:3:2:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[6a]-3:O-2:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]O)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]C)(ONi)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]O){2|H<1>,6|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,3|O<2>,6|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]C)(ONi){1|C<4>,2|H<1>,3|C<3>}	124.9128	0.066	6	124.9128	0.004	6	125.8179	2.122	27	126.0587	1.804	57	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	3:4:3:	3:3:3:1:	3:3:2:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[6a]-3:O-2:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]O)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(OC)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]O){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,1|O<2>,2|H<1>,6|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(OC){1|C<4>,2|H<1>,3|C<3>}	123.7017	0.831	3	124.2735	1.768	4	125.8179	2.122	27	126.0587	1.804	57	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	3:4:3:	3:3:3:1:	3:3:2:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[6a]-3:O-2:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]O)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(OC)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]O){1|O<2>,2|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,1|O<2>,2|H<1>,6|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(OC){1|C<4>,2|H<1>,3|C<3>}	125.9890	0.000	1	124.2735	1.768	4	125.8179	2.122	27	126.0587	1.804	57	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	3:4:3:	3:3:3:1:	3:3:2:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[6a]-3:O-2:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]O)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(OH)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]O){1|Pd<4>,1|H<1>,1|O<2>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,1|O<2>,2|H<1>,6|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(OH){1|C<4>,2|H<1>,3|C<3>}	125.2660	1.321	2	125.0187	1.056	3	125.8179	2.122	27	126.0587	1.804	57	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	3:4:3:	3:3:3:1:	3:3:2:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[6a]-3:O-2:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]O)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(OH)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]O){1|Pt<4>,1|H<1>,1|O<2>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,1|O<2>,2|H<1>,6|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(OH){1|C<4>,2|H<1>,3|C<3>}	124.5240	0.000	1	125.0187	1.056	3	125.8179	2.122	27	126.0587	1.804	57	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	3:4:3:	3:3:3:1:	3:3:2:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[6a]-3:O-2:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]O)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(OS)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]O){1|O<2>,2|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,1|O<2>,2|H<1>,6|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(OS){1|C<4>,2|H<1>,3|C<3>}	127.8708	0.764	6	127.8708	0.583	6	125.8179	2.122	27	126.0587	1.804	57	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	3:4:3:	3:3:3:1:	3:3:3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[5a]-3:C[6a]-3:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[5a]C[6a])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[5a]N[5a]S[5a])(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[5a]C[6a]){1|N<2>,1|S<2>,3|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,2|H<1>,7|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[5a]N[5a]S[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	128.0930	0.000	1	128.0930	0.000	1	128.0930	0.000	1	126.5459	0.562	25	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	3:4:3:	3:3:3:1:	3:3:3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[6,6,6a]-3:C-3:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6,6,6a]C)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])2(CC[6a]O)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6,6,6a]C){1|C<4>,1|H<1>,6|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,2|H<1>,7|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])2(CC[6a]O){2|C<4>,2|H<1>,5|C<3>}	126.3545	0.413	6	126.3545	0.171	6	126.3545	0.171	6	126.5459	0.562	25	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	3:4:3:	3:3:3:1:	3:3:3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[6,6,6a]-3:N-3:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6,6,6a]N)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])2(NCC)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6,6,6a]N){1|C<2>,1|C<4>,1|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,1|N<3>,2|H<1>,6|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])2(NCC){2|C<4>,2|H<1>,5|C<3>}	126.0595	0.367	2	126.0595	0.135	2	126.2298	0.620	6	126.5459	0.562	25	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	3:4:3:	3:3:3:1:	3:3:3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[6,6,6a]-3:N-3:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6,6,6a]N)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])2(NCH)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6,6,6a]N){1|C<2>,1|C<4>,1|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,1|N<3>,2|H<1>,6|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])2(NCH){2|C<4>,2|H<1>,5|C<3>}	126.4060	1.475	2	126.4060	2.176	2	126.2298	0.620	6	126.5459	0.562	25	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	3:4:3:	3:3:3:1:	3:3:3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[6,6,6a]-3:N-3:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6,6,6a]N)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])2(NNiC)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6,6,6a]N){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,1|N<3>,2|H<1>,6|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])2(NNiC){2|C<4>,2|H<1>,5|C<3>}	126.2240	0.817	2	126.2240	0.668	2	126.2298	0.620	6	126.5459	0.562	25	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	3:4:3:	3:3:3:1:	3:3:3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[6a]-3:C[5]-3:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]C[5])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]Ir)(C[5]N[5]2)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]C[5]){1|Ir<6>,2|H<1>,2|N<3>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,2|H<1>,7|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]Ir)(C[5]N[5]2){1|C<4>,2|H<1>,6|C<3>}	127.9375	0.021	2	127.9375	0.000	2	127.9375	0.000	2	126.5459	0.562	25	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	3:4:3:	3:3:3:1:	3:3:3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[6a]-3:C[6a]-3:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]2)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]2){2|H<1>,8|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,2|H<1>,7|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,3|H<1>,6|C<3>}	126.5807	0.468	4	126.3897	0.351	6	126.3897	0.351	6	126.5459	0.562	25	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	3:4:3:	3:3:3:1:	3:3:3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[6a]-3:C[6a]-3:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]2)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]2){2|H<1>,8|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,2|H<1>,7|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,4|H<1>,5|C<3>}	126.0075	0.812	2	126.3897	0.351	6	126.3897	0.351	6	126.5459	0.562	25	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	3:4:3:	3:3:3:1:	3:3:3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[6a]-3:N-3:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]N)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(NCC)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]N){1|C<2>,2|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,1|N<3>,2|H<1>,6|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(NCC){1|C<4>,2|H<1>,3|C<3>}	126.1630	0.000	1	126.1630	0.000	1	126.3683	0.209	3	126.5459	0.562	25	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	3:4:3:	3:3:3:1:	3:3:3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[6a]-3:N-3:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]N)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(NCH)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]N){1|N<2>,2|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,1|N<3>,2|H<1>,6|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(NCH){1|C<4>,2|H<1>,3|C<3>}	126.0500	0.000	1	126.0500	0.000	1	126.3683	0.209	3	126.5459	0.562	25	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	3:4:3:	3:3:3:1:	3:3:3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[6a]-3:N-3:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]N)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(NC[6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]N){1|C<2>,2|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,1|N<3>,2|H<1>,6|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(NC[6a]H){1|C<4>,2|H<1>,3|C<3>}	126.8920	0.000	1	126.8920	0.000	1	126.3683	0.209	3	126.5459	0.562	25	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	3:4:3:	3:3:3:1:	3:3:3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[6a]-3:P-3:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]P)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(PC[6a]2)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]P){3|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,1|H<1>,2|P<3>,6|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(PC[6a]2){1|C<4>,2|H<1>,3|C<3>}	126.7300	0.000	1	126.7300	0.000	1	126.7300	0.000	1	126.5459	0.562	25	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	3:4:3:	3:3:3:1:	3:3:4:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[6a]-3:C-4:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]C)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]C)(CCHH)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]C){1|H<1>,2|C<4>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|H<1>,3|C<4>,6|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]C)(CCHH){1|H<1>,2|C<4>,3|C<3>}	126.5440	0.058	4	126.5440	0.003	4	126.4122	0.769	9	127.4909	4.607	16	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	3:4:3:	3:3:3:1:	3:3:4:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[6a]-3:C-4:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]C)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(CH3)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]C){1|Ge<4>,2|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){2|C<4>,2|H<1>,6|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(CH3){1|C<4>,2|H<1>,3|C<3>}	125.6390	0.000	1	125.0480	0.699	2	126.4122	0.769	9	127.4909	4.607	16	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	3:4:3:	3:3:3:1:	3:3:4:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[6a]-3:C-4:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]C)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(CH3)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]C){1|H<1>,2|C<4>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){2|C<4>,2|H<1>,6|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(CH3){1|C<4>,2|H<1>,3|C<3>}	124.4570	0.000	1	125.0480	0.699	2	126.4122	0.769	9	127.4909	4.607	16	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	3:4:3:	3:3:3:1:	3:3:4:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[6a]-3:C-4:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]C)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(CHHS)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]C){3|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){4|C<4>,6|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(CHHS){1|C<4>,2|H<1>,3|C<3>}	127.1460	0.130	3	127.1460	0.017	3	126.4122	0.769	9	127.4909	4.607	16	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	3:4:3:	3:3:3:1:	3:3:4:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[6a]-3:P-4:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]P)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(PC[6a]2Pd)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]P){3|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,1|H<1>,2|P<4>,6|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(PC[6a]2Pd){1|C<4>,2|H<1>,3|C<3>}	130.3250	0.028	2	130.3250	0.001	2	128.8777	6.505	7	127.4909	4.607	16	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	3:4:3:	3:3:3:1:	3:3:4:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[6a]-3:P-4:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]P)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(PC[6a]2Pt)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]P){3|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,1|H<1>,2|P<4>,6|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(PC[6a]2Pt){1|C<4>,2|H<1>,3|C<3>}	123.6790	0.000	1	123.6790	0.000	1	128.8777	6.505	7	127.4909	4.607	16	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	3:4:3:	3:3:3:1:	3:3:4:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[6a]-3:P-4:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]P)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(PPdCC)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]P){3|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,1|H<1>,2|P<4>,6|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(PPdCC){1|C<4>,2|H<1>,3|C<3>}	130.7190	0.214	2	130.7190	0.046	2	128.8777	6.505	7	127.4909	4.607	16	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	3:4:3:	3:3:3:1:	3:3:4:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[6a]-3:P-4:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]P)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(PPtCC)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]P){3|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,1|H<1>,2|P<4>,6|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(PPtCC){1|C<4>,2|H<1>,3|C<3>}	128.1885	0.185	2	128.1885	0.034	2	128.8777	6.505	7	127.4909	4.607	16	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	3:4:3:	3:3:3:2:	3:3:1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:C-2:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(CC)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]H){1|C<2>,2|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(CC){1|C<4>,3|H<1>,6|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){1|C<2>,1|C<4>,1|H<1>,3|C<3>}	126.1063	0.312	6	126.1411	0.109	36	126.1595	0.104	41	126.5711	0.617	87	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	3:4:3:	3:3:3:2:	3:3:1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:C-2:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(CC)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(CC){1|C<4>,3|H<1>,6|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){1|C<2>,1|C<4>,1|H<1>,3|C<3>}	126.1480	0.338	30	126.1411	0.109	36	126.1595	0.104	41	126.5711	0.617	87	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	3:4:3:	3:3:3:2:	3:3:1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:C-2:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(CP)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]H){1|C<2>,2|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(CP){1|C<4>,3|H<1>,6|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){1|C<2>,1|C<4>,1|H<1>,3|C<3>}	126.2918	0.263	5	126.2918	0.069	5	126.1595	0.104	41	126.5711	0.617	87	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	3:4:3:	3:3:3:2:	3:3:1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:O-2:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2O)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(OC[6a])	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2O)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(OC[6a]){1|C<4>,3|H<1>,6|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	126.6027	0.588	6	126.6027	0.346	6	125.7630	0.957	12	126.5711	0.617	87	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	3:4:3:	3:3:3:2:	3:3:1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:O-2:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[6,6,6a]P[3x6]C[6a])(C[3x6]C[6,6,6a]2O)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(OC)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[6,6,6a]P[3x6]C[6a])(C[3x6]C[6,6,6a]2O)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(OC){1|P<3>,3|H<1>,6|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,1|P<3>,3|C<3>}	124.9233	0.261	6	124.9233	0.068	6	125.7630	0.957	12	126.5711	0.617	87	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	3:4:3:	3:3:3:2:	3:3:1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:S-2:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2S)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(SC)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2S)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(SC){1|C<4>,3|H<1>,6|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<2>,3|C<3>}	127.2844	0.306	11	127.2844	0.094	11	127.2519	0.084	16	126.5711	0.617	87	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	3:4:3:	3:3:3:2:	3:3:1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:S-2:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2S)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(SC[6a])	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2S)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(SC[6a]){1|C<4>,3|H<1>,6|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<2>,3|C<3>}	127.1806	0.268	5	127.1806	0.072	5	127.2519	0.084	16	126.5711	0.617	87	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	3:4:3:	3:3:3:2:	3:3:1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:Se-2:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2Se)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(SeC[6a])	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2Se)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(SeC[6a]){1|C<4>,3|H<1>,6|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){1|Se<2>,1|C<4>,1|H<1>,3|C<3>}	127.4424	0.269	18	127.4424	0.072	18	127.4424	0.072	18	126.5711	0.617	87	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	3:4:3:	3:3:3:3:	3:2:1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:N[6,6]-3:N[6,6]-3:C[6a]-3:	C[6,6,6a]-3:N[6a]-2:H-1:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]N[6,6]2C[6a])(C[6a]N[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(N[6,6]C[6,6]C)2(C[6a]C[6a]2)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(N[6a]C[6a])(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]N[6,6]2C[6a])(C[6a]N[6a]H){1|H<1>,2|C<4>,6|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(N[6,6]C[6,6]C)2(C[6a]C[6a]2){1|C<4>,1|N<2>,2|O<1>,3|C<3>,3|H<1>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(N[6a]C[6a])(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	129.6440	0.000	1	129.6440	0.000	1	129.6440	0.000	1	129.6440	0.000	1	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	3:4:3:	3:3:3:3:	3:3:1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:C-3:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(CHO)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(CHO){1|C<4>,1|O<2>,2|H<1>,6|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,4|C<3>}	126.3510	1.353	16	126.3510	1.830	16	127.3276	2.108	67	127.1310	1.921	104	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	3:4:3:	3:3:3:3:	3:3:1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:C-3:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(COO)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]C)(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(COO){1|C<4>,3|H<1>,6|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]C)(H){2|C<4>,4|C<3>}	128.0731	1.214	36	128.0731	1.473	36	127.3276	2.108	67	127.1310	1.921	104	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	3:4:3:	3:3:3:3:	3:3:1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:C-3:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(COO)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(COO){1|C<4>,3|H<1>,6|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,4|C<3>}	126.2002	1.262	6	126.2002	1.592	6	127.3276	2.108	67	127.1310	1.921	104	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	3:4:3:	3:3:3:3:	3:3:1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:C-3:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(COO)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]N)(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]H){1|N<3>,2|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(COO){1|C<4>,3|H<1>,6|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]N)(H){1|C<4>,1|H<1>,4|C<3>}	127.0470	0.749	6	127.0470	0.561	6	127.3276	2.108	67	127.1310	1.921	104	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	3:4:3:	3:3:3:3:	3:3:1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:C-3:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(CPtP)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(CPtP){1|C<4>,3|H<1>,6|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,4|C<3>}	126.4053	1.316	3	126.4053	1.733	3	127.3276	2.108	67	127.1310	1.921	104	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	3:4:3:	3:3:3:3:	3:3:1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:N-3:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2N)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(NCH)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]C)(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2N)(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(NCH){1|C<4>,3|H<1>,6|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]C)(H){1|N<3>,2|C<4>,3|C<3>}	127.2000	0.808	12	127.2000	0.653	12	127.2247	0.458	29	127.1310	1.921	104	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	3:4:3:	3:3:3:3:	3:3:1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:N-3:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2N)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(NCH)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2N)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(NCH){1|C<4>,3|H<1>,6|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	127.2421	0.592	17	127.2421	0.351	17	127.2247	0.458	29	127.1310	1.921	104	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	3:4:3:	3:3:3:3:	3:3:1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6]-3:C[6,6]-3:C[6a]-3:	C[6,6,6a]-3:C[6a,6a]-3:H-1:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2C[6a])(C[6a]C[6a,6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]N[6,6]O)2(C[6a]C[6a]2)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a,6a]C[6a,6a]C[6a])(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2C[6a])(C[6a]C[6a,6a]H){1|H<1>,2|N<3>,2|O<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]N[6,6]O)2(C[6a]C[6a]2){3|C<4>,3|H<1>,4|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a,6a]C[6a,6a]C[6a])(H){1|C<4>,7|C<3>}	126.1440	0.000	1	126.1440	0.000	1	126.1440	0.000	1	127.1310	1.921	104	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	3:4:3:	3:3:3:3:	3:3:1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6]-3:C[6,6]-3:C[6a]-3:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]N[6,6]O)2(C[6a]C[6a]2)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]N[6a]H)(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2C[6a])(C[6a]C[6a]H){1|N<2>,2|H<1>,2|N<3>,2|O<1>,3|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]N[6,6]O)2(C[6a]C[6a]2){3|C<4>,3|H<1>,4|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]N[6a]H)(H){1|C<4>,4|C<3>}	125.8890	0.000	1	125.8890	0.000	1	124.5855	0.611	6	127.1310	1.921	104	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	3:4:3:	3:3:3:3:	3:3:1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6]-3:C[6,6]-3:C[6a]-3:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[6,6,6a]P[3x6]C[6a])(C[3x6]C[6,6]2C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]H)2(C[6a]C[6a]2)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[6,6,6a]P[3x6]C[6a])(C[3x6]C[6,6]2C[6a])(C[6a]C[6a]H){1|Fe<8>,4|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]H)2(C[6a]C[6a]2){1|P<4>,3|H<1>,6|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){1|H<1>,1|P<4>,4|C<3>}	123.9240	0.000	1	124.3248	0.254	5	124.5855	0.611	6	127.1310	1.921	104	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	3:4:3:	3:3:3:3:	3:3:1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6]-3:C[6,6]-3:C[6a]-3:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[6,6,6a]P[3x6]C[6a])(C[3x6]C[6,6]2C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]H)2(C[6a]C[6a]2)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[6,6,6a]P[3x6]C[6a])(C[3x6]C[6,6]2C[6a])(C[6a]C[6a]H){1|Se<1>,4|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]H)2(C[6a]C[6a]2){1|P<4>,3|H<1>,6|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){1|H<1>,1|P<4>,4|C<3>}	124.6370	0.014	2	124.3248	0.254	5	124.5855	0.611	6	127.1310	1.921	104	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	3:4:3:	3:3:3:3:	3:3:1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6]-3:C[6,6]-3:C[6a]-3:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[6,6,6a]P[3x6]C[6a])(C[3x6]C[6,6]2C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]H)2(C[6a]C[6a]2)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[6,6,6a]P[3x6]C[6a])(C[3x6]C[6,6]2C[6a])(C[6a]C[6a]H){1|W<6>,4|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]H)2(C[6a]C[6a]2){1|P<4>,3|H<1>,6|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){1|H<1>,1|P<4>,4|C<3>}	123.6490	0.000	1	124.3248	0.254	5	124.5855	0.611	6	127.1310	1.921	104	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	3:4:3:	3:3:3:3:	3:3:1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6]-3:C[6,6]-3:C[6a]-3:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[6,6,6a]P[3x6]C[6a])(C[3x6]C[6,6]2C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]H)2(C[6a]C[6a]2)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[6,6,6a]P[3x6]C[6a])(C[3x6]C[6,6]2C[6a])(C[6a]C[6a]H){4|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]H)2(C[6a]C[6a]2){1|P<3>,3|H<1>,6|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){1|H<1>,1|P<3>,4|C<3>}	124.7770	0.000	1	124.3248	0.254	5	124.5855	0.611	6	127.1310	1.921	104	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	3:4:3:	3:3:3:3:	3:3:1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:N[6,6]-3:N[6,6]-3:C[6a]-3:	C[6,6,6a]-3:C[6a,6a]-3:H-1:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]N[6,6]2C[6a])(C[6a]C[6a,6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(N[6,6]C[6,6]C)2(C[6a]C[6a]2)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a,6a]C[6a,6a]C[6a])(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]N[6,6]2C[6a])(C[6a]C[6a,6a]H){1|H<1>,2|C<4>,7|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(N[6,6]C[6,6]C)2(C[6a]C[6a]2){1|C<4>,2|O<1>,3|H<1>,4|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a,6a]C[6a,6a]C[6a])(H){1|C<4>,2|N<3>,5|C<3>}	127.5040	0.000	1	127.5040	0.000	1	127.5040	0.000	1	127.1310	1.921	104	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	3:4:3:	3:3:3:3:	3:3:2:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:C-3:	C[6,6,6a]-3:C[6a]-3:O-2:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]O)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(CHO)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(OC)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]O){1|H<1>,1|O<2>,6|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(CHO){1|C<4>,1|O<2>,2|H<1>,6|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,4|C<3>}	126.3537	1.613	4	126.3537	2.602	4	126.4469	1.375	8	126.4469	1.375	8	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	3:4:3:	3:3:3:3:	3:3:2:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:C-3:	C[6,6,6a]-3:C[6a]-3:O-2:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]O)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(CHO)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(OH)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]O){1|H<1>,1|O<2>,6|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(CHO){1|C<4>,1|O<2>,2|H<1>,6|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(OH){1|C<4>,1|H<1>,4|C<3>}	126.5400	0.763	4	126.5400	0.583	4	126.4469	1.375	8	126.4469	1.375	8	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	3:4:3:	3:3:3:4:	3:3:1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:C-4:	C[6,6,6a]-3:C[6a]-3:Br-1:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]Br)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(CC[6a]HH)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(Br)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]Br){3|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(CC[6a]HH){1|Br<1>,1|H<1>,2|C<4>,6|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(Br){1|H<1>,2|C<4>,3|C<3>}	131.5770	0.000	1	131.5770	0.000	1	131.5770	0.000	1	126.4449	2.027	145	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	3:4:3:	3:3:3:4:	3:3:1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:C-4:	C[6,6,6a]-3:C[6a]-3:Cl-1:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]Cl)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(CH3)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(Cl)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]Cl){1|Cl<1>,1|C<4>,1|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(CH3){1|Cl<1>,1|C<4>,2|H<1>,6|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(Cl){1|H<1>,2|C<4>,3|C<3>}	128.2415	0.148	8	128.2415	0.022	8	128.2415	0.022	8	126.4449	2.027	145	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	3:4:3:	3:3:3:4:	3:3:1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:C-4:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(CCHH)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]Br)(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(CCHH){1|C<4>,3|H<1>,6|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]Br)(H){1|Br<1>,2|C<4>,3|C<3>}	125.4695	0.155	6	125.4695	0.024	6	126.1681	1.692	117	126.4449	2.027	145	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	3:4:3:	3:3:3:4:	3:3:1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:C-4:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(CCHH)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(CCHH){1|C<4>,3|H<1>,6|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	125.8733	0.431	3	125.8733	0.185	3	126.1681	1.692	117	126.4449	2.027	145	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	3:4:3:	3:3:3:4:	3:3:1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:C-4:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(CCHH)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]N)(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]H){1|N<3>,2|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(CCHH){1|C<4>,3|H<1>,6|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]N)(H){1|H<1>,2|C<4>,3|C<3>}	126.2960	0.149	3	126.2960	0.022	3	126.1681	1.692	117	126.4449	2.027	145	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	3:4:3:	3:3:3:4:	3:3:1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:C-4:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(CC[6a]HH)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(CC[6a]HH){1|Br<1>,1|H<1>,2|C<4>,6|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	127.0630	0.000	1	126.6265	0.118	6	126.1681	1.692	117	126.4449	2.027	145	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	3:4:3:	3:3:3:4:	3:3:1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:C-4:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(CC[6a]HH)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(CC[6a]HH){1|C<4>,1|O<2>,2|H<1>,6|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	126.7865	0.308	2	126.6265	0.118	6	126.1681	1.692	117	126.4449	2.027	145	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	3:4:3:	3:3:3:4:	3:3:1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:C-4:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(CC[6a]HH)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(CC[6a]HH){1|C<4>,3|H<1>,6|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	126.3743	0.177	3	126.6265	0.118	6	126.1681	1.692	117	126.4449	2.027	145	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	3:4:3:	3:3:3:4:	3:3:1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:C-4:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(CH3)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(CH3){1|C<4>,3|H<1>,6|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	126.4193	1.294	31	126.1457	1.262	47	126.1681	1.692	117	126.4449	2.027	145	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	3:4:3:	3:3:3:4:	3:3:1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:C-4:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(CH3)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(CH3){1|Cl<1>,1|C<4>,2|H<1>,6|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	125.6157	0.264	16	126.1457	1.262	47	126.1681	1.692	117	126.4449	2.027	145	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	3:4:3:	3:3:3:4:	3:3:1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:C-4:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(CH3)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]O)(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(CH3){1|C<4>,3|H<1>,6|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]O)(H){1|O<2>,2|C<4>,3|C<3>}	126.2422	1.694	47	126.2422	2.871	47	126.1681	1.692	117	126.4449	2.027	145	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	3:4:3:	3:3:3:4:	3:3:1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:C-4:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(CHHO)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(CHHO){1|C<4>,3|H<1>,6|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	126.0696	0.209	5	126.0696	0.044	5	126.1681	1.692	117	126.4449	2.027	145	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	3:4:3:	3:3:3:4:	3:3:1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:Ge-4:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2Ge)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(GeC[3x6]FF)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2Ge)(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(GeC[3x6]FF){1|C<4>,3|H<1>,6|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){1|Ge<4>,1|C<4>,1|H<1>,3|C<3>}	126.4110	0.000	1	128.0037	1.905	3	127.0847	0.888	15	126.4449	2.027	145	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	3:4:3:	3:3:3:4:	3:3:1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:Ge-4:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2Ge)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(GeC[3x6]FF)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2Ge)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(GeC[3x6]FF){1|C<4>,3|H<1>,6|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){1|Ge<4>,1|C<4>,1|H<1>,3|C<3>}	128.8000	0.078	2	128.0037	1.905	3	127.0847	0.888	15	126.4449	2.027	145	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	3:4:3:	3:3:3:4:	3:3:1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:Ge-4:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2Ge)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(GeClPt2)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2Ge)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(GeClPt2){1|C<4>,3|H<1>,6|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){1|Ge<4>,1|C<4>,1|H<1>,3|C<3>}	126.7820	0.351	3	126.7820	0.123	3	127.0847	0.888	15	126.4449	2.027	145	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	3:4:3:	3:3:3:4:	3:3:1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:Ge-4:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2Ge)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(GePt2H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2Ge)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(GePt2H){1|C<4>,3|H<1>,6|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){1|Ge<4>,1|C<4>,1|H<1>,3|C<3>}	126.7317	0.194	3	126.7317	0.037	3	127.0847	0.888	15	126.4449	2.027	145	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	3:4:3:	3:3:3:4:	3:3:1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:Ge-4:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2Ge)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(GePtHH)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2Ge)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(GePtHH){1|C<4>,3|H<1>,6|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){1|Ge<4>,1|C<4>,1|H<1>,3|C<3>}	126.9530	1.001	6	126.9530	1.002	6	127.0847	0.888	15	126.4449	2.027	145	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	3:4:3:	3:3:3:4:	3:3:1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:Si-4:	C[6,6,6a]-3:C[6a]-3:Cl-1:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2Si)(C[6a]C[6a]Cl)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(SiC[6a]HH)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(Cl)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2Si)(C[6a]C[6a]Cl){1|Cl<1>,2|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(SiC[6a]HH){1|Cl<1>,1|C<4>,2|H<1>,6|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(Cl){1|Si<4>,1|C<4>,1|H<1>,3|C<3>}	130.2210	0.000	1	130.2210	0.000	1	130.2210	0.000	1	126.4449	2.027	145	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	3:4:3:	3:3:3:4:	3:3:1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:Si-4:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2Si)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(SiC[6a]HH)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2Si)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(SiC[6a]HH){1|Cl<1>,1|C<4>,2|H<1>,6|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){1|Si<4>,1|C<4>,1|H<1>,3|C<3>}	126.7560	0.139	2	126.7560	0.019	2	126.7560	0.019	2	126.4449	2.027	145	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	3:4:3:	3:3:3:4:	3:3:1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6]-3:C[6,6]-3:C-4:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[6,6,6a]B[3x6]C[6a])(C[3x6]C[6,6]2C)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]H)2(CH3)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[6,6,6a]B[3x6]C[6a])(C[3x6]C[6,6]2C)(C[6a]C[6a]H){1|N<3>,3|C<3>,4|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]H)2(CH3){1|B<4>,2|C<3>,3|H<1>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){1|B<4>,1|C<4>,1|H<1>,3|C<3>}	125.3340	0.000	1	125.3340	0.000	1	125.3340	0.000	1	126.4449	2.027	145	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	3:4:3:	3:3:3:4:	3:3:2:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:C-4:	C[6,6,6a]-3:C[6a]-3:O-2:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]O)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(CC[6a]HH)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(OC)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]O){1|O<2>,2|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(CC[6a]HH){1|C<4>,1|O<2>,2|H<1>,6|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(OC){1|H<1>,2|C<4>,3|C<3>}	130.5590	0.000	1	130.5590	0.000	1	130.5590	0.000	1	130.5590	0.000	1	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	3:4:3:	3:3:3:4:	3:3:4:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:C-4:	C[6,6,6a]-3:C[6a]-3:C-4:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]C)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(CC[6a]HH)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(CH3)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]C){1|C<4>,2|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(CC[6a]HH){1|Br<1>,1|H<1>,2|C<4>,6|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(CH3){1|H<1>,2|C<4>,3|C<3>}	129.9270	0.000	1	129.9270	0.000	1	129.9270	0.000	1	129.9270	0.000	1	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	3:4:3:	3:4:2:1:	3:3:1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[3x6]-4:O[6,6]-2:H-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[6,6,6a]C[4x6]C[6a])(C[3x6]C[3x6]O[6,6]H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]C[6,6a]C[4x6]O)(O[6,6]C[3x6])(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[6,6,6a]C[4x6]C[6a])(C[3x6]C[3x6]O[6,6]H)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]C[6,6a]C[4x6]O)(O[6,6]C[3x6])(H){1|H<1>,2|O<2>,3|C<4>,4|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	125.7170	0.047	2	125.7170	0.002	2	125.7170	0.002	2	126.8956	1.446	10	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	3:4:3:	3:4:2:1:	3:3:1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6]-4:O[6,6]-2:H-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]O[6,6]H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]CH)(O[6,6]C[6,6])(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]O[6,6]H)(C[6a]C[6a]H){2|C<3>,3|C<4>,3|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]CH)(O[6,6]C[6,6])(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	127.7240	0.000	1	127.7240	0.000	1	127.1903	1.362	8	126.8956	1.446	10	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	3:4:3:	3:4:2:1:	3:3:1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6]-4:O[6,6]-2:H-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]O[6,6]H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]O[6,6]H)(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	127.5007	1.054	4	127.3270	0.984	5	127.1903	1.362	8	126.8956	1.446	10	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	3:4:3:	3:4:2:1:	3:3:1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6]-4:O[6,6]-2:H-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]O[6,6]H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]O[6,6]H)(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(H){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	126.6320	0.000	1	127.3270	0.984	5	127.1903	1.362	8	126.8956	1.446	10	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	3:4:3:	3:4:2:1:	3:3:1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6]-4:O[6,6]-2:H-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[6,6,6a]C[4x6]C[6a])(C[3x6]C[6,6]O[6,6]H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[3x6]HH)(O[6,6]C[6,6])(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]C)(H)	C[6,6,6a](C[6,6,6a]C[4x6]C[6a])(C[3x6]C[6,6]O[6,6]H)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[3x6]HH)(O[6,6]C[6,6])(H){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	125.0850	0.000	1	126.5815	4.479	2	127.1903	1.362	8	126.8956	1.446	10	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	3:4:3:	3:4:2:1:	3:3:1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6]-4:O[6,6]-2:H-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[6,6,6a]C[4x6]C[6a])(C[3x6]C[6,6]O[6,6]H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[3x6]HH)(O[6,6]C[6,6])(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]C)(H)	C[6,6,6a](C[6,6,6a]C[4x6]C[6a])(C[3x6]C[6,6]O[6,6]H)(C[6a]C[6a]H){1|C<3>,3|H<1>,4|C<4>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[3x6]HH)(O[6,6]C[6,6])(H){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	128.0780	0.000	1	126.5815	4.479	2	127.1903	1.362	8	126.8956	1.446	10	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	3:4:3:	3:4:2:4:	3:3:1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6]-4:O[6,6]-2:C-4:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]O[6,6]C)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(CH3)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]O[6,6]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,5|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(CH3){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	126.9300	0.000	1	127.2260	0.175	2	127.2260	0.175	2	127.2260	0.175	2	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	3:4:3:	3:4:2:4:	3:3:1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6]-4:O[6,6]-2:C-4:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]O[6,6]C)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(CH3)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]O[6,6]C)(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(CH3){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	127.5220	0.000	1	127.2260	0.175	2	127.2260	0.175	2	127.2260	0.175	2	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	3:4:3:	3:4:3:1:	3:3:1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[5,6,6]-4:C[6,6]-3:H-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[3x6]C[5,6,6]C[6,6]H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]H)(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6,6,6a]H)(H)	C[6,6,6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[3x6]C[5,6,6]C[6,6]H)(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]H)(H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6,6,6a]H)(H){1|H<1>,2|C<3>,3|C<4>}	126.2675	0.163	2	126.2675	0.027	2	125.8793	0.465	3	126.3717	0.560	16	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	3:4:3:	3:4:3:1:	3:3:1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[5,6,6]-4:C[6,6]-3:H-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[6,6,6a]C[6a,6a]C[3x6])(C[3x6]C[5,6,6]C[6,6]H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]H)(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a,6a]H)(H)	C[6,6,6a](C[6,6,6a]C[6a,6a]C[3x6])(C[3x6]C[5,6,6]C[6,6]H)(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]H)(H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a,6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	125.1030	0.000	1	125.1030	0.000	1	125.8793	0.465	3	126.3717	0.560	16	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	3:4:3:	3:4:3:1:	3:3:1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-3:H-1:	C[6,6,6a]-3:C[6,6a]-3:H-1:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6,6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6,6a]C[6,6a]C[6])(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6,6a]H){1|C<4>,3|C<3>,5|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6,6a]C[6,6a]C[6])(H){1|H<1>,1|O<1>,2|C<4>,4|C<3>}	126.7505	0.107	2	126.6538	0.043	4	126.6538	0.043	4	126.3717	0.560	16	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	3:4:3:	3:4:3:1:	3:3:1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-3:H-1:	C[6,6,6a]-3:C[6,6a]-3:H-1:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6,6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6,6a]C[6,6a]C[6])(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6,6a]H){1|C<4>,3|C<3>,5|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6,6a]C[6,6a]C[6])(H){1|H<1>,2|C<4>,5|C<3>}	126.5570	0.286	2	126.6538	0.043	4	126.6538	0.043	4	126.3717	0.560	16	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	3:4:3:	3:4:3:1:	3:3:1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-3:H-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]CN)(C[6,6]C[6,6]H)(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]H){1|C<2>,1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]CN)(C[6,6]C[6,6]H)(H){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	126.3840	0.000	1	126.3840	0.000	1	126.0083	0.260	6	126.3717	0.560	16	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	3:4:3:	3:4:3:1:	3:3:1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-3:H-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HO)(C[6,6]O[6,6]C)(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HO)(C[6,6]O[6,6]C)(H){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	126.7320	0.000	1	126.7320	0.000	1	126.0083	0.260	6	126.3717	0.560	16	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	3:4:3:	3:4:3:1:	3:3:1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-3:H-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]N[5]C)(C[6,6]C[6,6]H)(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]H){1|C<2>,1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]N[5]C)(C[6,6]C[6,6]H)(H){2|C<3>,3|C<4>,4|H<1>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	126.0390	0.000	1	126.0390	0.000	1	126.0083	0.260	6	126.3717	0.560	16	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	3:4:3:	3:4:3:1:	3:3:1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-3:H-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]N[6]C)(C[6,6]C[6,6]H)(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]H){1|C<2>,1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]N[6]C)(C[6,6]C[6,6]H)(H){2|C<3>,3|C<4>,4|H<1>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	125.9870	0.000	1	125.9870	0.000	1	126.0083	0.260	6	126.3717	0.560	16	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	3:4:3:	3:4:3:1:	3:3:1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-3:H-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[6,6,6a]C[5,3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]H)(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[6,6,6a]C[5,3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]H){1|C<4>,3|C<3>,5|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]H)(H){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	125.4540	0.137	2	125.4540	0.019	2	126.0083	0.260	6	126.3717	0.560	16	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	3:4:3:	3:4:3:1:	3:3:1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6]-4:N[6,6]-3:H-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]N[6,6]H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)(N[6,6]C[6,6]S)(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]N[6,6]H)(C[6a]C[6a]H){1|C<3>,1|S<4>,2|C<4>,5|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)(N[6,6]C[6,6]S)(H){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	126.3330	0.000	1	126.3330	0.000	1	127.2147	1.033	3	126.3717	0.560	16	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	3:4:3:	3:4:3:1:	3:3:1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6]-4:N[6,6]-3:H-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[6,6,6a]C[4x6]C[6a])(C[3x6]C[6,6]N[6,6]H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[3x6]HH)(N[6,6]C[3x6]C)(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[6,6,6a]C[4x6]C[6a])(C[3x6]C[6,6]N[6,6]H)(C[6a]C[6a]H){1|C<3>,3|C<4>,5|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[3x6]HH)(N[6,6]C[3x6]C)(H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	128.3260	0.000	1	127.6555	0.899	2	127.2147	1.033	3	126.3717	0.560	16	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	3:4:3:	3:4:3:1:	3:3:1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6]-4:N[6,6]-3:H-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[6,6,6a]C[4x6]C[6a])(C[3x6]C[6,6]N[6,6]H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[3x6]HH)(N[6,6]C[3x6]C)(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[6,6,6a]C[4x6]C[6a])(C[3x6]C[6,6]N[6,6]H)(C[6a]C[6a]H){2|C<3>,2|C<4>,5|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[3x6]HH)(N[6,6]C[3x6]C)(H){1|H<1>,2|C<3>,5|C<4>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	126.9850	0.000	1	127.6555	0.899	2	127.2147	1.033	3	126.3717	0.560	16	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	3:4:3:	3:4:3:1:	3:3:2:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-3:H-1:	C[6,6,6a]-3:C[6a]-3:O-2:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]O)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(OC)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]O){1|C<4>,2|C<3>,2|O<2>,4|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(OC){2|C<3>,2|C<4>,2|H<1>}	126.8600	0.000	1	126.8600	0.000	1	126.8600	0.000	1	126.8600	0.000	1	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	3:4:3:	3:4:3:2:	3:3:2:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-3:O-2:	C[6,6,6a]-3:C[6a]-3:O-2:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2O)(C[6a]C[6a]O)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(OC)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(OC)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2O)(C[6a]C[6a]O){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(OC){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(OC){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	129.5420	0.000	1	129.5420	0.000	1	129.5420	0.000	1	129.5420	0.000	1	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	3:4:3:	3:4:3:3:	3:3:1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-3:C-3:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2C)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(CCO)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2C)(C[6a]C[6a]H){1|C<4>,2|C<3>,6|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(CCO){1|C<2>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	127.3620	0.024	3	127.3620	0.001	3	127.3620	0.001	3	126.8968	0.420	5	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	3:4:3:	3:4:3:3:	3:3:1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-3:C[6a]-3:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6,6]O[6,6]O)(C[6a]C[6a]2)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2C[6a])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6,6]O[6,6]O)(C[6a]C[6a]2){1|C<4>,4|C<3>,5|H<1>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	126.1990	0.236	2	126.1990	0.056	2	126.1990	0.056	2	126.8968	0.420	5	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	3:4:3:	3:4:3:4:	3:3:1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-3:C-4:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2C)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C[6a]C)(C[6,6]O[6,6]O)(CH3)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2C)(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C[6a]C)(C[6,6]O[6,6]O)(CH3){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,3|C<4>}	127.4310	0.000	1	127.4310	0.000	1	126.0222	1.578	11	126.1942	1.790	12	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	3:4:3:	3:4:3:4:	3:3:1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-3:C-4:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2C)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C[6a]H)(C[6,6]O[6,6]O)(CH3)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2C)(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C[6a]H)(C[6,6]O[6,6]O)(CH3){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,3|C<4>}	126.6295	0.482	4	126.6970	0.197	5	126.0222	1.578	11	126.1942	1.790	12	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	3:4:3:	3:4:3:4:	3:3:1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-3:C-4:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2C)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C[6a]H)(C[6,6]O[6,6]O)(CH3)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2C)(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C[6a]H)(C[6,6]O[6,6]O)(CH3){2|C<4>,2|H<1>,4|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,3|C<4>}	126.9670	0.000	1	126.6970	0.197	5	126.0222	1.578	11	126.1942	1.790	12	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	3:4:3:	3:4:3:4:	3:3:1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-3:C-4:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[6,6,6a]C[6,6a]C[3x6])(C[3x6]C[6,6]2C)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6,6]O[6,6]O)(CH3)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6,6a]O)(H)	C[6,6,6a](C[6,6,6a]C[6,6a]C[3x6])(C[3x6]C[6,6]2C)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|O<2>,3|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6,6]O[6,6]O)(CH3){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6,6a]O)(H){3|C<3>,3|C<4>}	125.0656	1.241	5	125.0656	1.540	5	126.0222	1.578	11	126.1942	1.790	12	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	3:4:3:	3:4:3:4:	3:3:1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6]-4:N[6,6]-3:C-4:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[6,6,6a]C[4x6]C[6a])(C[3x6]C[6,6]N[6,6]C)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[3x6]HH)(N[6,6]C[3x6]C)(CH3)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[6,6,6a]C[4x6]C[6a])(C[3x6]C[6,6]N[6,6]C)(C[6a]C[6a]H){1|C<3>,3|C<4>,5|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[3x6]HH)(N[6,6]C[3x6]C)(CH3){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	128.0870	0.000	1	128.0870	0.000	1	128.0870	0.000	1	126.1942	1.790	12	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	3:4:3:	3:4:4:1:	3:3:1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[3x6]-4:C[6,6]-4:H-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[3x6]C[6,6]H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]HH)(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[3x6]C[6,6]H)(C[6a]C[6a]H){2|C<4>,3|C<3>,5|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]HH)(H){1|C<4>,1|O<1>,3|H<1>,5|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	124.4520	0.000	1	124.4520	0.000	1	124.4520	0.000	1	126.7752	0.716	24	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	3:4:3:	3:4:4:1:	3:3:1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-4:H-1:	C[6,6,6a]-3:C[5,6a]-3:H-1:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[5,6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]CC)(C[6,6]C[6,6]CH)(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[5,6a]C[5,6a]O[5])(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[5,6a]H){1|O<2>,3|C<3>,3|C<4>,3|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]CC)(C[6,6]C[6,6]CH)(H){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[5,6a]C[5,6a]O[5])(H){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	125.3440	0.000	1	125.3440	0.000	1	125.3460	0.000	2	126.7752	0.716	24	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	3:4:3:	3:4:4:1:	3:3:1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-4:H-1:	C[6,6,6a]-3:C[5,6a]-3:H-1:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[5,6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)2(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[5,6a]C[5,6a]O[5])(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[5,6a]H){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)2(H){2|C<4>,2|H<1>,4|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[5,6a]C[5,6a]O[5])(H){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	125.3480	0.000	1	125.3480	0.000	1	125.3460	0.000	2	126.7752	0.716	24	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	3:4:3:	3:4:4:1:	3:3:1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-4:H-1:	C[6,6,6a]-3:C[6a,6a]-3:H-1:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a,6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]BrH)(C[6,6]C[6,6]HH)(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a,6a]C[6a,6a]C[6a])(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a,6a]H){1|Br<1>,2|C<3>,2|C<4>,5|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]BrH)(C[6,6]C[6,6]HH)(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a,6a]C[6a,6a]C[6a])(H){2|H<1>,3|C<3>,3|C<4>}	126.8100	0.269	2	126.8100	0.072	2	126.9395	0.094	4	126.7752	0.716	24	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	3:4:3:	3:4:4:1:	3:3:1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-4:H-1:	C[6,6,6a]-3:C[6a,6a]-3:H-1:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a,6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]HO)(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a,6a]C[6a,6a]C[6a])(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a,6a]H){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]HO)(H){1|Br<1>,1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a,6a]C[6a,6a]C[6a])(H){2|H<1>,3|C<3>,3|C<4>}	127.0690	0.379	2	127.0690	0.144	2	126.9395	0.094	4	126.7752	0.716	24	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	3:4:3:	3:4:4:1:	3:3:1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-4:H-1:	C[6,6,6a]-3:C[6a]-3:F-1:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]F)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]IrH)2(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]F)(F)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]F){1|Ir<7>,1|C<3>,2|C<4>,2|F<1>,3|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]IrH)2(H){1|C<4>,1|F<1>,2|C<3>,2|H<1>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]F)(F){1|C<3>,1|F<1>,1|H<1>,3|C<4>}	127.2322	0.331	4	127.2322	0.110	4	127.2322	0.110	4	126.7752	0.716	24	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	3:4:3:	3:4:4:1:	3:3:1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-4:H-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]Br2)(C[6,6]C[6,6]BrH)(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]H){3|Br<1>,1|C<3>,2|C<4>,4|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]Br2)(C[6,6]C[6,6]BrH)(H){1|Br<1>,1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	126.9810	0.000	1	126.7920	0.071	2	127.0016	0.438	12	126.7752	0.716	24	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	3:4:3:	3:4:4:1:	3:3:1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-4:H-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]Br2)(C[6,6]C[6,6]BrH)(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]H){3|Br<1>,1|C<3>,2|C<4>,4|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]Br2)(C[6,6]C[6,6]BrH)(H){2|Br<1>,1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	126.6030	0.000	1	126.7920	0.071	2	127.0016	0.438	12	126.7752	0.716	24	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	3:4:3:	3:4:4:1:	3:3:1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-4:H-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]BrH)(C[6,6]C[6,6]HH)(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]H){1|Br<1>,1|C<3>,2|C<4>,6|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]BrH)(C[6,6]C[6,6]HH)(H){3|Br<1>,1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	126.1490	0.000	1	126.1490	0.000	1	127.0016	0.438	12	126.7752	0.716	24	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	3:4:3:	3:4:4:1:	3:3:1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-4:H-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]BrH)2(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]H){2|Br<1>,1|C<3>,2|C<4>,5|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]BrH)2(H){3|Br<1>,1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	127.1240	0.000	1	127.1240	0.000	1	127.0016	0.438	12	126.7752	0.716	24	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	3:4:3:	3:4:4:1:	3:3:1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-4:H-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]CC)(C[6,6]C[6,6]CH)(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]H){3|C<3>,3|C<4>,4|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]CC)(C[6,6]C[6,6]CH)(H){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	126.2390	0.000	1	126.2390	0.000	1	127.0016	0.438	12	126.7752	0.716	24	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	3:4:3:	3:4:4:1:	3:3:1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-4:H-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(C[6,6]N[6,6]HH)(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]H){1|N<4>,2|C<3>,2|C<4>,5|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(C[6,6]N[6,6]HH)(H){2|C<4>,4|C<3>,4|H<1>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	128.1490	0.000	1	128.1490	0.000	1	127.0016	0.438	12	126.7752	0.716	24	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	3:4:3:	3:4:4:1:	3:3:1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-4:H-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]CrH)2(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]H){1|Cr<8>,1|C<3>,2|C<4>,5|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]CrH)2(H){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	126.4260	0.102	2	126.4260	0.010	2	127.0016	0.438	12	126.7752	0.716	24	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	3:4:3:	3:4:4:1:	3:3:1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-4:H-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6,6]N[6,6]HH)(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,7|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6,6]N[6,6]HH)(H){1|C<4>,1|S<4>,2|C<3>,3|H<1>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	127.0160	0.000	1	127.0160	0.000	1	127.0016	0.438	12	126.7752	0.716	24	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	3:4:3:	3:4:4:1:	3:3:1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-4:H-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)2(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]H){1|C<3>,2|C<4>,7|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)2(H){2|C<4>,2|H<1>,4|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	127.3570	0.000	1	127.3570	0.000	1	127.0016	0.438	12	126.7752	0.716	24	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	3:4:3:	3:4:4:1:	3:3:1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-4:H-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[6,6,6a]C[5,3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[5,6,6]CH)(C[6,6]C[5,6,6]HH)(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[6,6,6a]C[5,3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]H){1|C<3>,3|C<4>,6|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[5,6,6]CH)(C[6,6]C[5,6,6]HH)(H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	127.8910	0.000	1	127.8910	0.000	1	127.0016	0.438	12	126.7752	0.716	24	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	3:4:3:	3:4:4:1:	3:3:1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-4:H-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[6,6,6a]N[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)2(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]C)(H)	C[6,6,6a](C[6,6,6a]N[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]H){1|C<2>,1|C<3>,2|C<4>,5|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)2(H){1|N<3>,2|C<3>,5|H<1>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]C)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	127.6580	0.000	1	127.6580	0.000	1	127.0016	0.438	12	126.7752	0.716	24	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	3:4:3:	3:4:4:1:	3:3:1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6]-4:N[6,6]-4:H-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]N[6,6]H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)(N[6,6]C[6,6]CH)(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]N[6,6]H)(C[6a]C[6a]H){1|C<3>,3|C<4>,6|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)(N[6,6]C[6,6]CH)(H){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){1|C<3>,1|N<4>,2|C<4>,2|H<1>}	126.7540	0.000	1	126.7540	0.000	1	126.7540	0.000	1	126.7752	0.716	24	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	3:4:3:	3:4:4:1:	3:3:2:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-4:H-1:	C[6,6,6a]-3:C[6a]-3:O-2:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]O)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)2(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(OC)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]O){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)2(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>,3|C<4>}	127.8270	0.000	1	126.7110	2.491	2	126.7110	2.491	2	126.7110	2.491	2	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	3:4:3:	3:4:4:1:	3:3:2:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-4:H-1:	C[6,6,6a]-3:C[6a]-3:O-2:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]O)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)2(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(OC)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]O){1|C<3>,2|C<4>,2|O<2>,5|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)2(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>,3|C<4>}	125.5950	0.000	1	126.7110	2.491	2	126.7110	2.491	2	126.7110	2.491	2	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	3:4:3:	3:4:4:2:	3:3:2:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-4:O-2:	C[6,6,6a]-3:C[6a]-3:O-2:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2O)(C[6a]C[6a]O)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)2(OC)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(OH)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2O)(C[6a]C[6a]O){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)2(OC){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	127.7770	0.000	1	127.7770	0.000	1	127.7770	0.000	1	127.7770	0.000	1	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	3:4:3:	3:4:4:3:	3:3:1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6]-4:C[3x6]-4:C-3:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[3x6]C[6,6]C)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C[6a]H)(C[3x6]C[3x6]C[6]H)(CC[6a]O)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[3x6]C[6,6]C)(C[6a]C[6a]H){2|C<4>,3|C<3>,5|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C[6a]H)(C[3x6]C[3x6]C[6]H)(CC[6a]O){1|C<4>,1|O<1>,4|H<1>,6|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,3|C<4>}	128.3560	0.000	1	128.3560	0.000	1	128.3560	0.000	1	127.6035	1.133	2	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	3:4:3:	3:4:4:3:	3:3:1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-4:C[6a]-3:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6,6]O[6,6]HH)(C[6a]C[6a]2)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2C[6a])(C[6a]C[6a]H){1|O<2>,2|C<4>,3|C<3>,6|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6,6]O[6,6]HH)(C[6a]C[6a]2){1|C<4>,4|C<3>,5|H<1>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,3|C<4>}	126.8510	0.000	1	126.8510	0.000	1	126.8510	0.000	1	127.6035	1.133	2	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:N[6,6]-2:H-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[3x6]C[6,6,6a]N[6,6]H)(C[6,6,6a]C[5,3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(N[6,6]C[5,6,6])(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]N[6,6]H)(C[6,6,6a]C[5,3x6]C[6a])(C[6a]C[6a]H){1|S<2>,2|H<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(N[6,6]C[5,6,6])(H){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	126.9458	0.196	4	126.9458	0.038	4	126.9458	0.038	4	126.9458	0.038	4	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	4:3:3:	3:3:2:2:	3:3:1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:O[6,6]-2:C-2:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[3x6]C[6,6,6a]O[6,6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(O[6,6]O[6,6])(CC)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]O[6,6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<2>,1|O<2>,2|H<1>,3|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(O[6,6]O[6,6])(CC){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){1|C<2>,1|C<4>,1|H<1>,1|O<2>,2|C<3>}	126.9500	0.256	2	126.9500	0.066	2	126.9500	0.066	2	126.9500	0.066	2	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	4:3:3:	3:3:2:2:	3:3:3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:O[6,6]-2:C-2:	C[6,6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6,6a](C[3x6]C[6,6,6a]O[6,6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a,6a]C[6a])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(O[6,6]O[6,6])(CC)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6,6,6a](C[3x6]C[6,6,6a]O[6,6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a,6a]C[6a]){1|C<2>,1|O<2>,7|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(O[6,6]O[6,6])(CC){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|C<2>,1|C<4>,1|O<2>,3|H<1>,6|C<3>}	127.3335	0.644	2	127.3335	0.415	2	127.3335	0.415	2	127.3335	0.415	2	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	4:3:3:	3:3:2:3:	3:3:1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:O[6,6]-2:C[6a]-3:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[3x6]C[6,6,6a]O[6,6]C[6a])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(O[6,6]O[6,6])(C[6a]C[6a]2)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]O[6,6]C[6a])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|O<2>,2|H<1>,6|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(O[6,6]O[6,6])(C[6a]C[6a]2){1|C<4>,3|H<1>,7|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	126.9523	0.208	10	126.9523	0.043	10	126.9523	0.043	10	126.9523	0.043	10	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	4:3:3:	3:3:2:3:	3:3:3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:O[6,6]-2:C[6a]-3:	C[6,6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6,6a](C[3x6]C[6,6,6a]O[6,6]C[6a])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a,6a]C[6a])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(O[6,6]O[6,6])(C[6a]C[6a]2)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6,6,6a](C[3x6]C[6,6,6a]O[6,6]C[6a])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a,6a]C[6a]){10|C<3>,1|O<2>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(O[6,6]O[6,6])(C[6a]C[6a]2){1|C<4>,3|H<1>,7|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|C<4>,1|O<2>,3|H<1>,7|C<3>}	127.5051	0.267	10	127.5051	0.071	10	127.5051	0.071	10	127.5051	0.071	10	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	4:3:3:	3:3:2:4:	3:3:1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:O[6,6]-2:C-4:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[3x6]C[6,6,6a]O[6,6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(O[6,6]N[6,6])(CH3)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]O[6,6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(O[6,6]N[6,6])(CH3){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	127.0355	0.719	2	127.0355	0.517	2	127.3061	0.502	14	127.3061	0.502	14	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	4:3:3:	3:3:2:4:	3:3:1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:O[6,6]-2:C-4:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[3x6]C[6,6,6a]O[6,6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(O[6,6]O[6,6])(CH3)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]O[6,6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(O[6,6]O[6,6])(CH3){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	127.4250	0.945	2	127.4250	0.892	2	127.3061	0.502	14	127.3061	0.502	14	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	4:3:3:	3:3:2:4:	3:3:1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:O[6,6]-2:C-4:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[3x6]C[6,6,6a]O[6,6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(O[6,6]O[6,6])(CHHN)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]O[6,6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(O[6,6]O[6,6])(CHHN){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	127.6437	0.399	8	127.6437	0.159	8	127.3061	0.502	14	127.3061	0.502	14	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	4:3:3:	3:3:2:4:	3:3:1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:O[6,6]-2:C-4:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[3x6]C[6,6,6a]O[6,6]C)(C[6,6,6a]C[5,3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(O[6,6]N[5,6,6])(CH3)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]O[6,6]C)(C[6,6,6a]C[5,3x6]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(O[6,6]N[5,6,6])(CH3){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	126.1070	0.198	2	126.1070	0.039	2	127.3061	0.502	14	127.3061	0.502	14	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[5a,6,6]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[6a,6a]-3:H-1:	C[6,6,6a](C[3x6]C[5a,6,6]C[6,6,6a]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a,6a]H)	C[3x6](C[5a,6,6]C[5a,6,6]C[5a])(C[6,6,6a]C[6,6,6a]C[6a])2(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a,6a]C[6a,6a]C[6a])(H)	C[6,6,6a](C[3x6]C[5a,6,6]C[6,6,6a]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a,6a]H){2|H<1>,6|C<3>}	C[3x6](C[5a,6,6]C[5a,6,6]C[5a])(C[6,6,6a]C[6,6,6a]C[6a])2(H){1|C<4>,1|N<3>,2|H<1>,6|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a,6a]C[6a,6a]C[6a])(H){1|C<4>,2|H<1>,5|C<3>}	126.3902	0.978	16	126.3902	0.956	16	126.3902	0.956	16	126.3219	0.735	349	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[5a,6,6]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[3x6]C[5a,6,6]C[6,6,6a]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[5a,6,6]C[5a,6,6]C[5a])(C[6,6,6a]C[6,6,6a]C[6a])2(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[3x6]C[5a,6,6]C[6,6,6a]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[3x6](C[5a,6,6]C[5a,6,6]C[5a])(C[6,6,6a]C[6,6,6a]C[6a])2(H){1|C<4>,1|N<3>,2|H<1>,6|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	126.1441	0.365	8	126.1441	0.133	8	125.7991	0.217	32	126.3219	0.735	349	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[5a,6,6]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[3x6]C[5a,6,6]C[6,6,6a]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[5a,6,6]C[5a,6,6]N[5a])(C[6,6,6a]C[6,6,6a]C[6a])2(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[3x6]C[5a,6,6]C[6,6,6a]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|N<2>,3|H<1>,4|C<3>}	C[3x6](C[5a,6,6]C[5a,6,6]N[5a])(C[6,6,6a]C[6,6,6a]C[6a])2(H){1|C<4>,1|N<2>,1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	125.6841	0.443	24	125.6841	0.197	24	125.7991	0.217	32	126.3219	0.735	349	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:B[6,6]-3:H-1:	C[6,6,6a]-3:C[6a,6a]-3:H-1:	C[6,6,6a](C[3x6]C[6,6,6a]B[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a,6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(B[6,6]B[6,6]N)(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a,6a]C[6a,6a]C[6a])(H)	C[6,6,6a](C[3x6]C[6,6,6a]B[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a,6a]H){1|B<3>,1|N<3>,2|H<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(B[6,6]B[6,6]N)(H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a,6a]C[6a,6a]C[6a])(H){1|B<3>,1|C<4>,2|H<1>,4|C<3>}	124.7790	0.119	4	124.7790	0.014	4	124.7790	0.014	4	126.3219	0.735	349	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:B[6,6]-3:H-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[3x6]C[6,6,6a]B[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(B[6,6]B[6,6]N)(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]B[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|B<3>,1|N<3>,3|C<3>,3|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(B[6,6]B[6,6]N)(H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){1|B<3>,1|C<4>,2|C<3>,2|H<1>}	124.9615	0.036	2	124.3735	0.527	4	124.3735	0.527	4	126.3219	0.735	349	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:B[6,6]-3:H-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[3x6]C[6,6,6a]B[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(B[6,6]B[6,6]N)(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]B[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|B<4>,1|N<3>,3|C<3>,3|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(B[6,6]B[6,6]N)(H){1|C<4>,2|H<1>,2|N<4>,4|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){1|B<3>,1|C<4>,2|C<3>,2|H<1>}	123.7855	0.443	2	124.3735	0.527	4	124.3735	0.527	4	126.3219	0.735	349	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[3x6]-3:H-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[3x6]C[6,6,6a]C[3x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[3x6]C[3x6]C[6])(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]2)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[3x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[3x6]C[3x6]C[6])(H){1|C<4>,1|O<1>,2|H<1>,6|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]2)(H){1|C<4>,1|H<1>,6|C<3>}	126.5815	0.478	4	126.5815	0.229	4	126.2836	0.251	26	126.3219	0.735	349	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[3x6]-3:H-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[3x6]C[6,6,6a]C[3x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[3x6]C[3x6]C[6])(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[3x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[3x6]C[3x6]C[6])(H){1|C<4>,1|O<1>,2|H<1>,6|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	126.3582	0.468	16	126.2943	0.198	20	126.2836	0.251	26	126.3219	0.735	349	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[3x6]-3:H-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[3x6]C[6,6,6a]C[3x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[3x6]C[3x6]C[6])(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[3x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[3x6]C[3x6]C[6])(H){2|C<4>,3|H<1>,5|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	126.0383	0.218	4	126.2943	0.198	20	126.2836	0.251	26	126.3219	0.735	349	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[3x6]-3:H-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[3x6]C[6,6,6a]C[3x6]H)(C[6,6,6a]C[5x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[3x6]C[5x6]Si[6])(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[3x6]H)(C[6,6,6a]C[5x6]C[6a])(C[6a]C[6a]H){1|Si<4>,1|C<4>,2|H<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[3x6]C[5x6]Si[6])(H){2|H<1>,4|C<4>,5|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	126.0820	0.000	1	125.5815	0.501	2	126.2836	0.251	26	126.3219	0.735	349	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[3x6]-3:H-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[3x6]C[6,6,6a]C[3x6]H)(C[6,6,6a]C[5x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[3x6]C[5x6]Si[6])(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[3x6]H)(C[6,6,6a]C[5x6]C[6a])(C[6a]C[6a]H){1|Si<4>,1|C<4>,2|H<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[3x6]C[5x6]Si[6])(H){2|H<1>,4|C<4>,5|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	125.0810	0.000	1	125.5815	0.501	2	126.2836	0.251	26	126.3219	0.735	349	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-3:H-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5])(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5])(H){1|O<2>,2|C<4>,2|H<1>,6|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	126.3675	0.329	4	126.3675	0.108	4	126.3675	0.108	4	126.3219	0.735	349	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[6,6,6a]-3:C[6a]-3:Cl-1:	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]Cl)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C)(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(Cl)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]Cl){3|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C)(H){2|Cl<1>,1|C<4>,5|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(Cl){1|C<4>,2|H<1>,3|C<3>}	127.7390	0.273	2	127.7390	0.074	2	127.7390	0.074	2	126.3219	0.735	349	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[5,6,6]O)(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[5,6,6]O)(H){1|C<4>,2|H<1>,6|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	126.0550	0.109	2	126.0550	0.012	2	126.4861	0.592	245	126.3219	0.735	349	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]2)(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]2)(H){1|P<4>,2|C<4>,2|H<1>,5|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	127.2004	0.474	8	127.2004	0.225	8	126.4861	0.592	245	126.3219	0.735	349	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C)(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C)(H){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	125.7046	0.558	8	126.9127	0.794	42	126.4861	0.592	245	126.3219	0.735	349	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C)(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C)(H){1|C<4>,1|P<4>,2|H<1>,4|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	126.6700	0.365	2	126.9127	0.794	42	126.4861	0.592	245	126.3219	0.735	349	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C)(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C)(H){1|C<4>,1|P<4>,2|H<1>,5|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	126.4740	0.099	2	126.9127	0.794	42	126.4861	0.592	245	126.3219	0.735	349	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C)(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C)(H){2|C<4>,2|H<1>,4|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	127.6308	0.553	16	126.9127	0.794	42	126.4861	0.592	245	126.3219	0.735	349	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C)(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|Cl<1>,2|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C)(H){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	125.9085	0.566	2	126.9127	0.794	42	126.4861	0.592	245	126.3219	0.735	349	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C)(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|Pd<4>,1|H<1>,1|P<4>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C)(H){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	127.8580	0.006	2	126.9127	0.794	42	126.4861	0.592	245	126.3219	0.735	349	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C)(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C)(H){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	126.6410	0.277	2	126.9127	0.794	42	126.4861	0.592	245	126.3219	0.735	349	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C)(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C)(H){1|C<4>,1|S<2>,2|H<1>,4|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	127.2625	0.258	2	126.9127	0.794	42	126.4861	0.592	245	126.3219	0.735	349	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C)(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C)(H){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	126.7758	0.356	4	126.9127	0.794	42	126.4861	0.592	245	126.3219	0.735	349	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C)(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C)(H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	126.9360	0.321	2	126.9127	0.794	42	126.4861	0.592	245	126.3219	0.735	349	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C[6])(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C[6])(H){1|Ru<9>,1|P<4>,2|H<1>,3|C<4>,4|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	126.0620	0.055	2	126.0620	0.003	2	126.4861	0.592	245	126.3219	0.735	349	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C[6a])(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<2>,2|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C[6a])(H){1|C<4>,2|H<1>,7|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	126.5885	0.186	2	126.8928	0.459	20	126.4861	0.592	245	126.3219	0.735	349	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C[6a])(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|Te<2>,2|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C[6a])(H){1|C<4>,2|H<1>,7|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	126.0315	0.111	2	126.8928	0.459	20	126.4861	0.592	245	126.3219	0.735	349	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C[6a])(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C[6a])(H){1|C<4>,1|P<4>,2|H<1>,6|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	127.0384	0.666	16	126.8928	0.459	20	126.4861	0.592	245	126.3219	0.735	349	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]H)(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]H)(H){2|C<4>,2|H<1>,4|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	126.2660	0.322	2	126.9941	0.299	8	126.4861	0.592	245	126.3219	0.735	349	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]H)(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){4|C<3>,4|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]H)(H){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	127.6495	0.182	2	126.9941	0.299	8	126.4861	0.592	245	126.3219	0.735	349	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]H)(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){4|C<3>,4|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]H)(H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	127.0305	0.102	4	126.9941	0.299	8	126.4861	0.592	245	126.3219	0.735	349	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]N)(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]C)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]N)(H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]C)(H){1|C<4>,2|H<1>,3|C<3>}	125.4905	0.063	2	125.4905	0.004	2	126.4861	0.592	245	126.3219	0.735	349	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]N)(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|N<2>,3|H<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]N)(H){1|C<4>,1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	126.4227	0.403	16	126.0149	0.289	80	126.4861	0.592	245	126.3219	0.735	349	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]N)(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|H<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]N)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,4|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	125.2650	0.047	2	126.0149	0.289	80	126.4861	0.592	245	126.3219	0.735	349	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]N)(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|N<3>,3|H<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]N)(H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	125.9373	0.524	60	126.0149	0.289	80	126.4861	0.592	245	126.3219	0.735	349	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]N)(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|N<3>,3|H<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]N)(H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	125.8300	0.098	2	126.0149	0.289	80	126.4861	0.592	245	126.3219	0.735	349	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]O)(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<2>,1|O<1>,2|H<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]O)(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	125.1877	0.136	3	125.5339	0.144	7	126.4861	0.592	245	126.3219	0.735	349	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]O)(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|O<1>,3|H<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]O)(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	125.7935	0.258	4	125.5339	0.144	7	126.4861	0.592	245	126.3219	0.735	349	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]P)(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,1|P<4>,2|H<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]P)(H){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	126.0331	0.427	8	126.7775	0.466	48	126.4861	0.592	245	126.3219	0.735	349	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]P)(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|P<4>,3|H<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]P)(H){1|C<4>,1|P<4>,2|H<1>,4|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	126.9968	0.539	12	126.7775	0.466	48	126.4861	0.592	245	126.3219	0.735	349	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]P)(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|P<4>,3|H<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]P)(H){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	126.8669	0.703	24	126.7775	0.466	48	126.4861	0.592	245	126.3219	0.735	349	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]P)(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|P<4>,3|H<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]P)(H){2|C<4>,2|H<1>,4|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	127.0715	0.412	4	126.7775	0.466	48	126.4861	0.592	245	126.3219	0.735	349	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]S)(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|S<2>,3|H<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]S)(H){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	126.7080	0.252	2	126.7080	0.063	2	126.4861	0.592	245	126.3219	0.735	349	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[5,3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[5,6,6]C[6a])(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[5,3x6]C[6a])(C[6a]C[6a]H){1|S<2>,2|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[5,6,6]C[6a])(H){1|C<4>,2|H<1>,7|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	126.4511	0.391	16	126.4286	0.277	18	126.4861	0.592	245	126.3219	0.735	349	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[5,3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[5,6,6]C[6a])(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[5,3x6]C[6a])(C[6a]C[6a]H){1|Se<3>,2|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[5,6,6]C[6a])(H){1|C<4>,2|H<1>,7|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	126.2490	1.532	2	126.4286	0.277	18	126.4861	0.592	245	126.3219	0.735	349	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[5,3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[5,6,6]H)(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[5,3x6]C[6a])(C[6a]C[6a]H){1|S<2>,3|H<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[5,6,6]H)(H){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	126.4230	0.082	2	126.2943	0.170	6	126.4861	0.592	245	126.3219	0.735	349	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[5,3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[5,6,6]H)(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[5,3x6]C[6a])(C[6a]C[6a]H){1|Se<2>,3|H<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[5,6,6]H)(H){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	125.9020	0.604	2	126.2943	0.170	6	126.4861	0.592	245	126.3219	0.735	349	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[5,3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[5,6,6]H)(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[5,3x6]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[5,6,6]H)(H){2|C<4>,2|H<1>,4|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	126.5580	0.027	2	126.2943	0.170	6	126.4861	0.592	245	126.3219	0.735	349	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:N[6,6]-3:H-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[3x6]C[6,6,6a]N[6,6]H)(C[6,6,6a]C[5,3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(N[6,6]C[5,6,6]B)(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]N[6,6]H)(C[6,6,6a]C[5,3x6]C[6a])(C[6a]C[6a]H){1|B<4>,1|S<2>,2|H<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(N[6,6]C[5,6,6]B)(H){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	126.3705	0.435	2	126.3705	0.189	2	126.2360	0.319	12	126.3219	0.735	349	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:N[6,6]-3:H-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[3x6]C[6,6,6a]N[6,6]H)(C[6,6,6a]C[5,3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(N[6,6]C[5,6,6]H)(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]N[6,6]H)(C[6,6,6a]C[5,3x6]C[6a])(C[6a]C[6a]H){1|S<2>,3|H<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(N[6,6]C[5,6,6]H)(H){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	126.3985	0.162	2	126.3985	0.026	2	126.2360	0.319	12	126.3219	0.735	349	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:N[6,6]-3:H-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[3x6]C[6,6,6a]N[6,6]H)(C[6,6,6a]C[5,3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(N[6,6]C[5,6,6]O)(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]N[6,6]H)(C[6,6,6a]C[5,3x6]C[6a])(C[6a]C[6a]H){1|O<1>,1|S<2>,2|H<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(N[6,6]C[5,6,6]O)(H){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	126.3695	0.509	4	126.1617	0.451	8	126.2360	0.319	12	126.3219	0.735	349	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:N[6,6]-3:H-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[3x6]C[6,6,6a]N[6,6]H)(C[6,6,6a]C[5,3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(N[6,6]C[5,6,6]O)(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]N[6,6]H)(C[6,6,6a]C[5,3x6]C[6a])(C[6a]C[6a]H){1|O<2>,1|S<2>,2|H<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(N[6,6]C[5,6,6]O)(H){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	125.9540	0.823	4	126.1617	0.451	8	126.2360	0.319	12	126.3219	0.735	349	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:P[4x6]-3:H-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[3x6]C[6,6,6a]P[4x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(P[4x6]C[3x6]P[4x6])(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]P[4x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,1|P<4>,3|C<3>,3|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(P[4x6]C[3x6]P[4x6])(H){1|Mo<9>,2|C<4>,3|H<1>,6|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){1|C<4>,1|P<3>,2|C<3>,2|H<1>}	123.4155	0.338	4	123.4155	0.114	4	123.4155	0.114	4	126.3219	0.735	349	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	4:3:3:	3:3:3:1:	3:3:2:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[6,6,6a]-3:C[6a]-3:C-2:	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]C)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]O)(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(CC)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]C){1|O<1>,3|H<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]O)(H){1|C<4>,1|O<1>,2|C<2>,4|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(CC){1|C<4>,2|H<1>,3|C<3>}	125.5957	0.143	4	125.5957	0.021	4	125.5957	0.021	4	125.6187	0.019	6	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	4:3:3:	3:3:3:1:	3:3:2:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[6,6,6a]-3:C[6a]-3:O-2:	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]O)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]N)(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(OC)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]O){1|N<3>,3|H<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]N)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,4|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(OC){1|C<4>,2|H<1>,3|C<3>}	125.6645	0.159	2	125.6645	0.025	2	125.6645	0.025	2	125.6187	0.019	6	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	4:3:3:	3:3:3:1:	3:3:4:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[6,6,6a]-3:C[6a,6a]-3:C[5]-4:	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a,6a]C[5])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]H)(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a,6a]C[6a,6a]C[6a])(C[5]C[5]2Fe)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a,6a]C[5]){1|Fe<10>,2|H<1>,3|C<4>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]H)(H){1|H<1>,3|C<4>,4|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a,6a]C[6a,6a]C[6a])(C[5]C[5]2Fe){3|C<4>,4|H<1>,5|C<3>}	126.4010	0.358	2	125.9860	0.284	4	125.9860	0.284	4	126.5673	0.990	6	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	4:3:3:	3:3:3:1:	3:3:4:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[6,6,6a]-3:C[6a,6a]-3:C[5]-4:	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a,6a]C[5])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]H)(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a,6a]C[6a,6a]C[6a])(C[5]C[5]2Fe)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a,6a]C[5]){1|Fe<10>,2|H<1>,3|C<4>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]H)(H){2|C<4>,2|H<1>,4|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a,6a]C[6a,6a]C[6a])(C[5]C[5]2Fe){3|C<4>,4|H<1>,5|C<3>}	125.5710	0.187	2	125.9860	0.284	4	125.9860	0.284	4	126.5673	0.990	6	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	4:3:3:	3:3:3:1:	3:3:4:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[6,6,6a]-3:C[6a]-3:C-4:	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]C)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]H)(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(CF3)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]C){4|C<3>,4|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]H)(H){1|H<1>,3|C<4>,4|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(CF3){1|C<4>,2|H<1>,3|C<3>}	127.7300	0.202	2	127.7300	0.041	2	127.7300	0.041	2	126.5673	0.990	6	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	4:3:3:	3:3:3:2:	3:3:1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:C-2:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C[6a])(CC)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C[6a])(CC){1|C<4>,2|H<1>,7|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){1|C<2>,1|C<4>,1|H<1>,3|C<3>}	126.7735	0.097	2	126.7735	0.009	2	126.7735	0.009	2	126.7735	0.009	2	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[3x6]C[6,6,6a]2C[6a])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(C[6a]C[6a]2)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]2C[6a])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){3|H<1>,7|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(C[6a]C[6a]2){1|C<4>,4|H<1>,9|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,4|C<3>}	127.3127	1.597	3	127.6352	1.403	9	127.6352	1.403	9	127.4345	1.063	13	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[3x6]C[6,6,6a]2C[6a])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(C[6a]C[6a]2)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]2C[6a])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){3|H<1>,7|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(C[6a]C[6a]2){1|C<4>,5|H<1>,8|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,4|C<3>}	127.7965	1.063	6	127.6352	1.403	9	127.6352	1.403	9	127.4345	1.063	13	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:C-3:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C)(CHO)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C)(CHO){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,4|C<3>}	127.2560	0.130	2	127.2560	0.017	2	127.2560	0.017	2	127.4345	1.063	13	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:C[6a]-3:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]C[6a])(C[6,6,6a]C[5,3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[5,6,6]H)(C[6a]C[6a]2)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]C[6a])(C[6,6,6a]C[5,3x6]C[6a])(C[6a]C[6a]H){1|C<4>,3|H<1>,6|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[5,6,6]H)(C[6a]C[6a]2){2|C<4>,4|H<1>,6|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,4|C<3>}	126.7100	0.194	2	126.7100	0.038	2	126.7100	0.038	2	127.4345	1.063	13	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	4:3:3:	3:3:3:4:	3:3:1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[3x6]-3:C-4:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[3x6]C[6,6,6a]C[3x6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[3x6]C[3x6]C[6])(CH3)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[3x6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[3x6]C[3x6]C[6])(CH3){1|C<4>,3|H<1>,6|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	125.2500	0.402	2	125.2500	0.161	2	125.3595	0.832	8	126.6823	1.077	35	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	4:3:3:	3:3:3:4:	3:3:1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[3x6]-3:C-4:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[3x6]C[6,6,6a]C[3x6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[3x6]C[3x6]C[6])(CH3)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]O)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[3x6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[3x6]C[3x6]C[6])(CH3){1|C<4>,3|H<1>,6|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]O)(H){1|O<2>,2|C<4>,3|C<3>}	125.3960	1.061	6	125.3960	1.126	6	125.3595	0.832	8	126.6823	1.077	35	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	4:3:3:	3:3:3:4:	3:3:1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:C[5]-4:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[3x6]C[6,6,6a]2C[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(C[5]C[5]2Fe)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]C)(H)	C[6,6,6a](C[3x6]C[6,6,6a]2C[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|Fe<10>,2|H<1>,3|C<4>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(C[5]C[5]2Fe){3|C<4>,5|H<1>,6|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]C)(H){3|C<3>,3|C<4>}	127.8590	0.000	1	127.8590	0.000	1	127.4859	0.448	7	126.6823	1.077	35	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	4:3:3:	3:3:3:4:	3:3:1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:C[5]-4:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[3x6]C[6,6,6a]2C[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(C[5]C[5]2Fe)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]2C[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|Fe<10>,2|C<4>,3|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(C[5]C[5]2Fe){1|O<2>,3|C<4>,4|H<1>,6|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	127.7998	0.308	4	127.4237	0.505	6	127.4859	0.448	7	126.6823	1.077	35	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	4:3:3:	3:3:3:4:	3:3:1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:C[5]-4:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[3x6]C[6,6,6a]2C[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(C[5]C[5]2Fe)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]2C[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|Fe<10>,2|C<4>,3|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(C[5]C[5]2Fe){3|C<4>,5|H<1>,6|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	126.6715	0.736	2	127.4237	0.505	6	127.4859	0.448	7	126.6823	1.077	35	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	4:3:3:	3:3:3:4:	3:3:1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:C-4:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C)(CHHO)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C)(CHHO){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	127.0740	0.348	2	127.0740	0.121	2	126.8453	0.356	12	126.6823	1.077	35	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	4:3:3:	3:3:3:4:	3:3:1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:C-4:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C[6a])(CH3)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C[6a])(CH3){1|C<4>,1|P<4>,2|H<1>,6|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	126.8914	0.690	8	126.8914	0.476	8	126.8453	0.356	12	126.6823	1.077	35	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	4:3:3:	3:3:3:4:	3:3:1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:C-4:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]C)(C[6,6,6a]C[5,3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[5,6,6]H)(CH3)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]C)(C[6,6,6a]C[5,3x6]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[5,6,6]H)(CH3){2|C<4>,2|H<1>,4|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	126.4320	0.031	2	126.4320	0.001	2	126.8453	0.356	12	126.6823	1.077	35	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	4:3:3:	3:3:3:4:	3:3:1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:C[5]-4:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]C[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C)(C[5]C[5]2Fe)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]C[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|Fe<10>,2|C<4>,3|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C)(C[5]C[5]2Fe){3|C<4>,4|H<1>,5|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	127.2938	0.671	6	127.2938	0.450	6	127.2938	0.450	6	126.6823	1.077	35	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	4:3:3:	3:3:3:4:	3:3:1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:N[6,6]-3:C-4:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[3x6]C[6,6,6a]N[6,6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(N[6,6]O[6,6]C)(CH3)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]N[6,6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(N[6,6]O[6,6]C)(CH3){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	126.3485	0.807	2	126.3485	0.651	2	126.3485	0.651	2	126.6823	1.077	35	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	4:3:3:	3:3:3:4:	3:3:2:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:C[5]-4:	C[6,6,6a]-3:C[6a]-3:O-2:	C[6,6,6a](C[3x6]C[6,6,6a]2C[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]O)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(C[5]C[5]2Fe)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(OC)	C[6,6,6a](C[3x6]C[6,6,6a]2C[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]O){1|Fe<10>,1|O<2>,2|C<4>,2|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(C[5]C[5]2Fe){1|O<2>,3|C<4>,4|H<1>,6|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(OC){1|H<1>,2|C<4>,3|C<3>}	129.2220	0.280	2	129.2220	0.078	2	129.2220	0.078	2	129.2220	0.078	2	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:B[6,6]-4:H-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[3x6]C[6,6,6a]B[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(B[6,6]B[6,6]ClN)(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]B[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|Cl<1>,1|B<4>,1|N<4>,3|C<3>,3|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(B[6,6]B[6,6]ClN)(H){1|Cl<1>,1|C<4>,1|N<4>,2|H<1>,4|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){1|B<4>,1|C<4>,2|C<3>,2|H<1>}	125.1333	0.487	4	125.1333	0.237	4	125.3667	0.302	6	126.2492	0.644	463	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:B[6,6]-4:H-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[3x6]C[6,6,6a]B[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(B[6,6]B[6,6]NN)(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]B[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|B<3>,2|N<4>,3|C<3>,3|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(B[6,6]B[6,6]NN)(H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){1|B<4>,1|C<4>,2|C<3>,2|H<1>}	125.8335	0.380	2	125.8335	0.144	2	125.3667	0.302	6	126.2492	0.644	463	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[3x6]-4:H-1:	C[6,6,6a]-3:C[6a,6a]-3:H-1:	C[6,6,6a](C[3x6]C[6,6,6a]C[3x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a,6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[3x6]C[3x6]C[6]H)(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a,6a]C[6a,6a]C[6a])(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[3x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a,6a]H){1|C<4>,3|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[3x6]C[3x6]C[6]H)(H){1|C<4>,1|O<1>,3|H<1>,6|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a,6a]C[6a,6a]C[6a])(H){2|C<4>,2|H<1>,4|C<3>}	127.3295	0.070	2	127.3295	0.005	2	127.3295	0.005	2	126.2492	0.644	463	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[3x6]-4:H-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[3x6]C[6,6,6a]C[3x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[3x6]C[3x6]C[6]Cr)(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[3x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|Cr<9>,2|C<4>,2|H<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[3x6]C[3x6]C[6]Cr)(H){3|C<4>,3|H<1>,4|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	125.0655	0.730	2	125.0655	0.534	2	126.1077	0.473	32	126.2492	0.644	463	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[3x6]-4:H-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[3x6]C[6,6,6a]C[3x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[3x6]C[3x6]C[6]H)(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[3x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[3x6]C[3x6]C[6]H)(H){1|C<4>,1|O<1>,3|H<1>,6|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	126.4678	0.448	6	125.8018	0.515	14	126.1077	0.473	32	126.2492	0.644	463	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[3x6]-4:H-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[3x6]C[6,6,6a]C[3x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[3x6]C[3x6]C[6]H)(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[3x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[3x6]C[3x6]C[6]H)(H){1|C<4>,1|O<1>,3|H<1>,6|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	125.0505	0.222	4	125.8018	0.515	14	126.1077	0.473	32	126.2492	0.644	463	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[3x6]-4:H-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[3x6]C[6,6,6a]C[3x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[3x6]C[3x6]C[6]H)(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[3x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[3x6]C[3x6]C[6]H)(H){2|C<4>,5|C<3>,5|H<1>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	125.4630	0.259	2	125.8018	0.515	14	126.1077	0.473	32	126.2492	0.644	463	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[3x6]-4:H-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[3x6]C[6,6,6a]C[3x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[3x6]C[3x6]C[6]H)(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[3x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[3x6]C[3x6]C[6]H)(H){3|C<4>,4|C<3>,5|H<1>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	125.6450	0.532	2	125.8018	0.515	14	126.1077	0.473	32	126.2492	0.644	463	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[3x6]-4:H-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[3x6]C[6,6,6a]C[3x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[3x6]C[3x6]N[5,6]H)(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[3x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[3x6]C[3x6]N[5,6]H)(H){1|C<4>,1|N<3>,3|H<1>,6|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	126.5058	0.306	16	126.5058	0.094	16	126.1077	0.473	32	126.2492	0.644	463	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[4,6,6]-4:H-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[3x6]C[6,6,6a]C[4,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[4,6,6]C[4,6,6]2C)(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[4,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<2>,2|C<4>,3|C<3>,3|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[4,6,6]C[4,6,6]2C)(H){1|C<2>,3|C<4>,3|H<1>,4|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	125.3438	1.168	4	125.3438	1.363	4	126.2760	1.723	8	126.2492	0.644	463	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[4,6,6]-4:H-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[3x6]C[6,6,6a]C[4,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[4,6,6]C[4,6,6]2H)(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[4,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[4,6,6]C[4,6,6]2H)(H){1|C<2>,3|C<4>,3|H<1>,4|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	127.2083	0.583	4	127.2083	0.340	4	126.2760	1.723	8	126.2492	0.644	463	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:Br-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]Br)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(Br)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]Br)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|Br<1>,1|C<4>,3|H<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(Br){1|C<4>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,2|C<3>,2|C<4>}	126.8937	0.182	4	126.8937	0.033	4	126.8937	0.033	4	126.2492	0.644	463	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:H-1:	C[6,6,6a]-3:C[6a,6a]-3:H-1:	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a,6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a,6a]C[6a,6a]C[6a])(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a,6a]H){1|C<4>,3|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H){1|C<4>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a,6a]C[6a,6a]C[6a])(H){2|C<4>,2|H<1>,4|C<3>}	126.3612	0.557	52	126.3937	0.535	54	126.3937	0.535	54	126.2492	0.644	463	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:H-1:	C[6,6,6a]-3:C[6a,6a]-3:H-1:	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a,6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a,6a]C[6a,6a]C[6a])(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a,6a]H){1|C<4>,3|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H){1|C<4>,1|O<1>,1|O<2>,3|H<1>,5|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a,6a]C[6a,6a]C[6a])(H){2|C<4>,2|H<1>,4|C<3>}	127.2380	3.330	2	126.3937	0.535	54	126.3937	0.535	54	126.2492	0.644	463	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:H-1:	C[6,6,6a]-3:C[6a]-3:F-1:	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]F)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]F)(F)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]F){1|C<4>,2|F<1>,2|H<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|F<1>,5|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]F)(F){1|F<1>,1|H<1>,2|C<3>,2|C<4>}	126.3383	0.405	8	126.3383	0.164	8	126.3383	0.164	8	126.2492	0.644	463	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:H-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]F)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,1|F<1>,3|H<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H){1|C<4>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]F)(H){1|F<1>,1|H<1>,2|C<3>,2|C<4>}	125.7618	0.316	8	125.7618	0.100	8	126.1015	0.539	180	126.2492	0.644	463	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:H-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<2>,1|C<4>,3|H<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H){1|C<4>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	125.8110	0.023	2	126.1144	0.587	160	126.1015	0.539	180	126.2492	0.644	463	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:H-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H){1|C<4>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	126.4600	0.632	2	126.1144	0.587	160	126.1015	0.539	180	126.2492	0.644	463	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:H-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,1|P<2>,3|H<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H){1|C<4>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	124.6030	0.451	2	126.1144	0.587	160	126.1015	0.539	180	126.2492	0.644	463	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:H-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,1|P<2>,3|H<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H){1|C<4>,1|O<1>,1|O<2>,3|H<1>,5|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	126.1425	0.217	2	126.1144	0.587	160	126.1015	0.539	180	126.2492	0.644	463	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:H-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,3|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H){1|C<4>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	125.3415	0.992	2	126.1144	0.587	160	126.1015	0.539	180	126.2492	0.644	463	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:H-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H){1|C<2>,1|C<4>,1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	126.0410	0.257	2	126.1144	0.587	160	126.1015	0.539	180	126.2492	0.644	463	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:H-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H){1|C<4>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	127.3185	0.520	2	126.1144	0.587	160	126.1015	0.539	180	126.2492	0.644	463	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:H-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H){1|C<4>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	126.2724	0.351	98	126.1144	0.587	160	126.1015	0.539	180	126.2492	0.644	463	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:H-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H){1|C<4>,1|O<1>,1|O<2>,3|H<1>,5|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	127.2423	1.705	6	126.1144	0.587	160	126.1015	0.539	180	126.2492	0.644	463	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:H-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H){1|N<3>,1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	126.5570	0.156	2	126.1144	0.587	160	126.1015	0.539	180	126.2492	0.644	463	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:H-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H){1|Si<4>,1|C<4>,1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	127.1930	0.000	1	126.1144	0.587	160	126.1015	0.539	180	126.2492	0.644	463	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:H-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H){1|C<4>,1|N<3>,1|O<2>,4|H<1>,5|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	126.0545	0.114	2	126.1144	0.587	160	126.1015	0.539	180	126.2492	0.644	463	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:H-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H){1|N<3>,2|C<4>,4|C<3>,5|H<1>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	126.6352	0.371	12	126.1144	0.587	160	126.1015	0.539	180	126.2492	0.644	463	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:H-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H){1|C<4>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	124.9051	0.661	17	126.1144	0.587	160	126.1015	0.539	180	126.2492	0.644	463	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:H-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H){1|C<4>,1|O<1>,1|O<2>,3|H<1>,5|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	125.2075	0.056	4	126.1144	0.587	160	126.1015	0.539	180	126.2492	0.644	463	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:H-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){3|C<3>,3|C<4>,3|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H){1|N<3>,1|O<2>,2|C<4>,3|H<1>,5|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	125.1157	0.191	4	126.1144	0.587	160	126.1015	0.539	180	126.2492	0.644	463	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:H-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]O)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H){1|C<4>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]O)(H){2|C<3>,2|C<4>,2|H<1>}	126.0450	0.174	2	126.0450	0.030	2	126.1015	0.539	180	126.2492	0.644	463	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:H-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]N[5]H)(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]N[5]H)(H){1|N<3>,2|C<4>,3|H<1>,5|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	126.0331	0.271	8	126.0331	0.073	8	126.1015	0.539	180	126.2492	0.644	463	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:H-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[6,6]C[5]2)(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){3|H<1>,6|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[6,6]C[5]2)(H){1|C<4>,2|H<1>,3|O<1>,6|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	126.7605	0.152	2	126.7605	0.023	2	126.1015	0.539	180	126.2492	0.644	463	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:H-1:	C[6,6,6a]-3:C[6a,6a]-3:H-1:	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a,6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]CC)(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a,6a]C[6a,6a]C[6a])(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a,6a]H){1|C<4>,1|H<1>,2|C<2>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]CC)(H){1|H<1>,2|C<2>,2|C<4>,4|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a,6a]C[6a,6a]C[6a])(H){2|C<4>,2|H<1>,4|C<3>}	125.6010	0.774	2	125.6010	0.598	2	125.6010	0.598	2	126.2492	0.644	463	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:H-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]CC)(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,3|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]CC)(H){1|C<4>,4|C<3>,4|H<1>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	125.9755	0.030	2	126.2818	0.260	4	126.5376	0.333	159	126.2492	0.644	463	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:H-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]CC)(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]CC)(H){1|C<4>,4|C<3>,4|H<1>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	126.5880	0.636	2	126.2818	0.260	4	126.5376	0.333	159	126.2492	0.644	463	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:H-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]CH)(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<2>,1|C<4>,1|P<2>,3|C<3>,3|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]CH)(H){1|C<2>,1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	125.3603	0.166	4	126.5856	0.383	85	126.5376	0.333	159	126.2492	0.644	463	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:H-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]CH)(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]CH)(H){1|C<4>,3|H<1>,5|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	126.5628	0.494	29	126.5856	0.383	85	126.5376	0.333	159	126.2492	0.644	463	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:H-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]CH)(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]CH)(H){1|C<4>,4|C<3>,4|H<1>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	126.3580	0.170	2	126.5856	0.383	85	126.5376	0.333	159	126.2492	0.644	463	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:H-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]CH)(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|Ir<6>,1|P<4>,2|C<4>,2|H<1>,3|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]CH)(H){2|C<4>,3|H<1>,4|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	126.4895	0.129	2	126.5856	0.383	85	126.5376	0.333	159	126.2492	0.644	463	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:H-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]CH)(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|Ru<6>,1|P<4>,2|C<4>,2|H<1>,3|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]CH)(H){2|C<4>,3|H<1>,4|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	127.0750	0.146	2	126.5856	0.383	85	126.5376	0.333	159	126.2492	0.644	463	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:H-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]CH)(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]CH)(H){1|C<4>,4|C<3>,4|H<1>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	126.1635	0.234	2	126.5856	0.383	85	126.5376	0.333	159	126.2492	0.644	463	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:H-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]CH)(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]CH)(H){2|C<4>,3|H<1>,4|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	126.7236	0.634	44	126.5856	0.383	85	126.5376	0.333	159	126.2492	0.644	463	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:H-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C[6a]H)(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C[6a]H)(H){1|C<4>,3|H<1>,7|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	126.9040	0.758	2	126.9040	0.575	2	126.5376	0.333	159	126.2492	0.644	463	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:H-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C[6a]P[6])(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|P<4>,3|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C[6a]P[6])(H){1|C<4>,1|O<1>,2|H<1>,2|O<2>,7|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	126.7170	0.150	2	126.7170	0.022	2	126.5376	0.333	159	126.2492	0.644	463	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:H-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]HH)(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]HH)(H){1|C<4>,4|C<3>,4|H<1>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	126.8220	0.098	2	126.6573	0.497	22	126.5376	0.333	159	126.2492	0.644	463	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:H-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]HH)(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,1|P<4>,3|C<3>,4|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]HH)(H){1|C<4>,4|C<3>,4|H<1>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	125.9995	0.923	4	126.6573	0.497	22	126.5376	0.333	159	126.2492	0.644	463	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:H-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]HH)(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,3|C<3>,5|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]HH)(H){1|C<4>,1|P<4>,3|H<1>,4|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	126.0645	0.971	2	126.6573	0.497	22	126.5376	0.333	159	126.2492	0.644	463	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:H-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]HH)(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,3|C<3>,5|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]HH)(H){1|C<4>,2|H<1>,6|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	126.9480	0.380	2	126.6573	0.497	22	126.5376	0.333	159	126.2492	0.644	463	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:H-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]HH)(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,3|C<3>,5|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]HH)(H){1|C<4>,3|H<1>,5|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	126.9000	0.115	2	126.6573	0.497	22	126.5376	0.333	159	126.2492	0.644	463	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:H-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]HH)(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,3|C<3>,5|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]HH)(H){1|C<4>,4|C<3>,4|H<1>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	126.7995	0.208	4	126.6573	0.497	22	126.5376	0.333	159	126.2492	0.644	463	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:H-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]HH)(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,3|C<3>,5|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]HH)(H){2|C<4>,2|H<1>,5|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	127.5905	0.803	2	126.6573	0.497	22	126.5376	0.333	159	126.2492	0.644	463	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:H-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]HH)(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,3|C<3>,5|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]HH)(H){2|C<4>,3|H<1>,4|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	127.1595	0.009	2	126.6573	0.497	22	126.5376	0.333	159	126.2492	0.644	463	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:H-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]HH)(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|Se<2>,1|C<4>,3|C<3>,4|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]HH)(H){1|Pt<4>,1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	126.1480	0.610	2	126.6573	0.497	22	126.5376	0.333	159	126.2492	0.644	463	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:H-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]HN)(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]HN)(H){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	126.4966	0.329	8	126.4094	0.139	25	126.5376	0.333	159	126.2492	0.644	463	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:H-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]HN)(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]HN)(H){1|C<4>,1|N<4>,3|H<1>,4|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	126.5741	0.437	7	126.4094	0.139	25	126.5376	0.333	159	126.2492	0.644	463	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:H-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]HN)(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]HN)(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	126.3310	0.144	2	126.4094	0.139	25	126.5376	0.333	159	126.2492	0.644	463	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:H-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]HN)(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<4>,3|C<3>,4|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]HN)(H){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	126.1975	0.334	8	126.4094	0.139	25	126.5376	0.333	159	126.2492	0.644	463	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:H-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]HO)(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]HO)(H){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	126.2915	0.349	2	126.2915	0.122	2	126.5376	0.333	159	126.2492	0.644	463	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:H-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]HP)(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,1|P<4>,3|C<3>,4|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]HP)(H){1|C<4>,1|P<4>,3|H<1>,4|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	126.1925	0.150	4	126.1633	0.054	6	126.5376	0.333	159	126.2492	0.644	463	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:H-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]HP)(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,1|P<4>,3|C<3>,4|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]HP)(H){1|C<4>,4|C<3>,4|H<1>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	126.1050	0.437	2	126.1633	0.054	6	126.5376	0.333	159	126.2492	0.644	463	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:H-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]N[5]H)(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]N[5]H)(H){1|C<4>,1|N<3>,3|H<1>,6|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	126.7005	0.193	4	126.7005	0.037	4	126.5376	0.333	159	126.2492	0.644	463	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:H-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]N[5a]H)(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]N[5a]H)(H){1|C<4>,1|N<3>,3|H<1>,6|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	125.9043	0.543	3	125.9043	0.295	3	126.5376	0.333	159	126.2492	0.644	463	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:H-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[5,3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[5,6,6]HH)(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[5,3x6]C[6a])(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[5,6,6]HH)(H){2|C<4>,3|H<1>,4|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	126.6407	0.359	4	126.6407	0.129	4	126.5376	0.333	159	126.2492	0.644	463	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:P[4x6]-4:H-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[3x6]C[6,6,6a]P[4x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(P[4x6]C[3x6]P[4x6]Mo)(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]P[4x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|Mo<9>,1|C<4>,1|P<3>,3|C<3>,3|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(P[4x6]C[3x6]P[4x6]Mo)(H){2|C<4>,3|H<1>,6|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){1|C<4>,1|P<4>,2|C<3>,2|H<1>}	123.3503	0.814	4	123.3503	0.662	4	123.3503	0.662	4	126.2492	0.644	463	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:Si[6,6]-4:H-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[3x6]C[6,6,6a]Si[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(Si[6,6]Si[6,6]Si2)(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]Si[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){3|Si<4>,3|C<3>,3|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(Si[6,6]Si[6,6]Si2)(H){2|Si<4>,1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){1|Si<4>,1|C<4>,2|C<3>,2|H<1>}	123.7398	0.551	4	123.7398	0.304	4	123.7398	0.304	4	126.2492	0.644	463	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	4:3:3:	3:3:4:1:	3:3:2:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:H-1:	C[6,6,6a]-3:C[6a]-3:C-2:	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]C)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(CC)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]C){1|C<2>,1|C<4>,3|H<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H){1|C<2>,1|C<4>,1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(CC){2|C<3>,2|C<4>,2|H<1>}	125.8960	0.410	2	125.8255	0.089	4	125.8255	0.089	4	126.3427	0.698	6	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	4:3:3:	3:3:4:1:	3:3:2:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:H-1:	C[6,6,6a]-3:C[6a]-3:C-2:	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]C)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(CC)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]C){1|C<4>,4|C<3>,4|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<2>,5|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(CC){2|C<3>,2|C<4>,2|H<1>}	125.7550	0.280	2	125.8255	0.089	4	125.8255	0.089	4	126.3427	0.698	6	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	4:3:3:	3:3:4:1:	3:3:2:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:H-1:	C[6,6,6a]-3:C[6a]-3:O-2:	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]O)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]HH)(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(OP)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]O){1|C<4>,3|C<3>,5|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]HH)(H){1|C<4>,2|H<1>,2|O<2>,4|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(OP){2|C<3>,2|C<4>,2|H<1>}	127.3770	0.124	2	127.3770	0.015	2	127.3770	0.015	2	126.3427	0.698	6	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	4:3:3:	3:3:4:1:	3:3:3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:H-1:	C[6,6,6a]-3:C[6a]-3:C[6a,6a]-3:	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a,6a]C[6a])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]CC)(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6,6,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a,6a]C[6a]){1|C<4>,2|C<2>,2|H<1>,6|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]CC)(H){2|C<2>,2|C<4>,5|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6,6,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a]){2|H<1>,3|C<4>,7|C<3>}	127.3625	0.630	2	127.3625	0.397	2	127.3625	0.397	2	127.3625	0.397	2	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	4:3:3:	3:3:4:1:	3:3:4:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:H-1:	C[6,6,6a]-3:C[6a,6a]-3:Si-4:	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a,6a]Si)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a,6a]C[6a,6a]C[6a])(SiC3)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a,6a]Si){1|Si<4>,1|C<4>,2|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H){1|Si<4>,1|C<4>,1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a,6a]C[6a,6a]C[6a])(SiC3){2|C<4>,2|H<1>,4|C<3>}	125.8550	0.000	1	125.8550	0.000	1	125.8550	0.000	1	125.9919	1.204	9	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	4:3:3:	3:3:4:1:	3:3:4:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:H-1:	C[6,6,6a]-3:C[6a]-3:C-4:	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]C)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]CC)(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]C)(CCHH)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]C){1|H<1>,2|C<2>,3|C<3>,3|C<4>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]CC)(H){1|H<1>,2|C<2>,2|C<4>,4|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]C)(CCHH){1|H<1>,2|C<3>,3|C<4>}	125.0405	0.375	2	125.1155	0.065	4	125.1155	0.065	4	125.9919	1.204	9	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	4:3:3:	3:3:4:1:	3:3:4:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:H-1:	C[6,6,6a]-3:C[6a]-3:C-4:	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]C)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]CC)(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]C)(CCHH)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]C){1|H<1>,2|C<2>,3|C<3>,3|C<4>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]CC)(H){2|C<2>,2|C<4>,5|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]C)(CCHH){1|H<1>,2|C<3>,3|C<4>}	125.1905	0.176	2	125.1155	0.065	4	125.1155	0.065	4	125.9919	1.204	9	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	4:3:3:	3:3:4:1:	3:3:4:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:H-1:	C[6,6,6a]-3:C[6a]-3:P-4:	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]P)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]HH)(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(PC[6a]2Ni)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]P){1|C<4>,3|C<3>,5|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]HH)(H){1|C<4>,2|H<1>,2|P<4>,4|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(PC[6a]2Ni){2|C<3>,2|C<4>,2|H<1>}	126.0690	0.021	2	126.0690	0.000	2	126.9025	1.011	4	125.9919	1.204	9	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	4:3:3:	3:3:4:1:	3:3:4:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:H-1:	C[6,6,6a]-3:C[6a]-3:P-4:	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]P)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]HH)(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(PPdCC)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]P){1|C<4>,3|C<3>,5|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]HH)(H){1|C<4>,2|H<1>,2|P<4>,4|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(PPdCC){2|C<3>,2|C<4>,2|H<1>}	127.7360	0.503	2	127.7360	0.253	2	126.9025	1.011	4	125.9919	1.204	9	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	4:3:3:	3:3:4:2:	3:3:1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:O-2:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]O)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(OC)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]O)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(OC){1|C<4>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	125.7055	0.440	4	125.9185	0.136	8	125.9171	0.145	10	126.5477	0.696	20	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	4:3:3:	3:3:4:2:	3:3:1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:O-2:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]O)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(OC)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]O)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(OC){1|N<3>,2|C<4>,4|C<3>,5|H<1>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	126.1315	0.051	4	125.9185	0.136	8	125.9171	0.145	10	126.5477	0.696	20	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	4:3:3:	3:3:4:2:	3:3:1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:O-2:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]O)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(OH)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]O)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(OH){1|C<4>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	125.9115	0.598	2	125.9115	0.357	2	125.9171	0.145	10	126.5477	0.696	20	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	4:3:3:	3:3:4:2:	3:3:1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:P-2:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]P)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(PP)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]P)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(PP){1|C<4>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){1|H<1>,1|P<2>,2|C<3>,2|C<4>}	126.6990	0.868	2	127.0187	0.388	4	127.0187	0.388	4	126.5477	0.696	20	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	4:3:3:	3:3:4:2:	3:3:1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:P-2:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]P)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(PP)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]P)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(PP){1|C<4>,1|O<1>,1|O<2>,3|H<1>,5|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){1|H<1>,1|P<2>,2|C<3>,2|C<4>}	127.3385	0.016	2	127.0187	0.388	4	127.0187	0.388	4	126.5477	0.696	20	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	4:3:3:	3:3:4:2:	3:3:1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:P-2:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]P)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]CH)(PP)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]P)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<2>,1|C<4>,3|C<3>,4|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]CH)(PP){1|C<2>,1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){1|H<1>,1|P<2>,2|C<3>,2|C<4>}	126.8905	0.504	4	126.8905	0.254	4	126.8905	0.254	4	126.5477	0.696	20	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	4:3:3:	3:3:4:2:	3:3:1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:Se-2:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]Se)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]PtH)(SePt)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]Se)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|Pt<4>,1|C<4>,3|C<3>,4|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]PtH)(SePt){1|C<4>,4|C<3>,4|H<1>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){1|Se<2>,1|H<1>,2|C<3>,2|C<4>}	128.0735	0.037	2	128.0735	0.001	2	128.0735	0.001	2	126.5477	0.696	20	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	4:3:3:	3:3:4:3:	3:3:1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[3x6]C[6,6,6a]C[3x6]C[6a])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[3x6]C[3x6]C[6]Cr)(C[6a]C[6a]2)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[3x6]C[6a])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|Cr<9>,2|C<4>,3|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[3x6]C[3x6]C[6]Cr)(C[6a]C[6a]2){3|C<4>,5|H<1>,6|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	126.5970	1.211	2	126.5970	1.465	2	127.0230	0.696	6	127.0345	0.605	8	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	4:3:3:	3:3:4:3:	3:3:1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[3x6]C[6,6,6a]C[3x6]C[6a])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[3x6]C[3x6]C[6]H)(C[6a]C[6a]2)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[3x6]C[6a])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,4|H<1>,6|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[3x6]C[3x6]C[6]H)(C[6a]C[6a]2){2|C<4>,6|H<1>,7|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	127.0380	0.902	2	127.2360	0.490	4	127.0230	0.696	6	127.0345	0.605	8	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	4:3:3:	3:3:4:3:	3:3:1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[3x6]C[6,6,6a]C[3x6]C[6a])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[3x6]C[3x6]C[6]H)(C[6a]C[6a]2)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[3x6]C[6a])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){2|C<4>,4|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[3x6]C[3x6]C[6]H)(C[6a]C[6a]2){3|C<4>,6|C<3>,7|H<1>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	127.4340	0.706	2	127.2360	0.490	4	127.0230	0.696	6	127.0345	0.605	8	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	4:3:3:	3:3:4:3:	3:3:1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:C-3:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(COO)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(COO){1|C<4>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	127.0690	0.868	2	127.0690	0.754	2	127.0690	0.754	2	127.0345	0.605	8	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	4:3:3:	3:3:4:4:	3:3:1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[3x6]-4:C-4:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[3x6]C[6,6,6a]C[3x6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[3x6]C[3x6]C[6]H)(CCHO)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[3x6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[3x6]C[3x6]C[6]H)(CCHO){1|C<4>,1|O<1>,3|H<1>,6|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,3|C<4>}	127.0985	0.196	4	127.0985	0.038	4	127.0985	0.038	4	126.1594	1.070	59	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	4:3:3:	3:3:4:4:	3:3:1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[3x6]-4:C[5]-4:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[3x6]C[6,6,6a]C[3x6]C[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[3x6]C[3x6]C[6]H)(C[5]O[5]2H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[3x6]C[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){2|C<4>,2|O<2>,4|C<3>,4|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[3x6]C[3x6]C[6]H)(C[5]O[5]2H){1|O<1>,3|C<4>,3|H<1>,6|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,3|C<4>}	126.2107	0.302	4	126.2107	0.091	4	126.2107	0.091	4	126.1594	1.070	59	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	4:3:3:	3:3:4:4:	3:3:1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:C-4:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(CCHN)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(CCHN){1|C<4>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,3|C<4>}	127.2172	0.588	6	127.2172	0.345	6	126.8226	0.419	25	126.1594	1.070	59	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	4:3:3:	3:3:4:4:	3:3:1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:C-4:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(CCHO)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(CCHO){1|C<4>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,3|C<4>}	127.1485	0.271	4	127.0650	0.108	12	126.8226	0.419	25	126.1594	1.070	59	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	4:3:3:	3:3:4:4:	3:3:1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:C-4:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(CCHO)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(CCHO){1|C<4>,1|O<1>,1|O<2>,3|H<1>,5|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,3|C<4>}	126.7360	0.204	4	127.0650	0.108	12	126.8226	0.419	25	126.1594	1.070	59	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	4:3:3:	3:3:4:4:	3:3:1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:C-4:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(CCHO)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(CCHO){1|N<3>,1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,3|C<4>}	127.3105	0.212	4	127.0650	0.108	12	126.8226	0.419	25	126.1594	1.070	59	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	4:3:3:	3:3:4:4:	3:3:1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:C-4:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(CH3)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(CH3){1|C<4>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,3|C<4>}	125.5623	0.155	3	125.5623	0.024	3	126.8226	0.419	25	126.1594	1.070	59	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	4:3:3:	3:3:4:4:	3:3:1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:C-4:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(CHHO)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(CHHO){1|C<4>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,3|C<4>}	126.4487	0.215	4	126.4487	0.046	4	126.8226	0.419	25	126.1594	1.070	59	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	4:3:3:	3:3:4:4:	3:3:1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:C[5]-4:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]C[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(C[5]C[5]2Fe)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]C[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|Fe<10>,3|H<1>,4|C<3>,4|C<4>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(C[5]C[5]2Fe){1|N<3>,1|O<1>,3|C<4>,5|C<3>,5|H<1>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,3|C<4>}	125.1898	0.212	4	125.1898	0.045	4	126.1107	1.006	8	126.1594	1.070	59	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	4:3:3:	3:3:4:4:	3:3:1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:C[5]-4:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]C[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(C[5]N[5]O[5]H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]C[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<2>,4|C<3>,5|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(C[5]N[5]O[5]H){1|N<3>,1|O<1>,3|H<1>,4|C<4>,5|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,3|C<4>}	127.0318	0.202	4	127.0318	0.041	4	126.1107	1.006	8	126.1594	1.070	59	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	4:3:3:	3:3:4:4:	3:3:1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:C-4:	C[6,6,6a]-3:C[5,6a]-3:H-1:	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[5,6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]HH)(CH3)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[5,6a]C[5,6a]C[5])(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[5,6a]H){2|C<4>,3|H<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]HH)(CH3){1|C<4>,4|C<3>,4|H<1>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[5,6a]C[5,6a]C[5])(H){1|N<3>,1|O<1>,3|C<3>,3|C<4>}	124.7300	0.540	12	124.7300	0.292	12	124.7300	0.292	12	126.1594	1.070	59	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	4:3:3:	3:3:4:4:	3:3:1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:C-4:	C[6,6,6a]-3:C[6,6a]-3:H-1:	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6,6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]HH)(CH3)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6,6a]C[6,6a]O[6])(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6,6a]H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]HH)(CH3){1|C<4>,4|C<3>,4|H<1>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6,6a]C[6,6a]O[6])(H){1|O<2>,3|C<3>,3|C<4>}	125.9660	0.593	2	125.9660	0.351	2	125.9660	0.351	2	126.1594	1.070	59	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	4:3:3:	3:3:4:4:	3:3:1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:C-4:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]HH)(CH3)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]O)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]HH)(CH3){1|C<4>,4|C<3>,4|H<1>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]O)(H){1|O<2>,2|C<3>,3|C<4>}	125.6250	0.327	2	125.6250	0.107	2	125.5062	0.056	4	126.1594	1.070	59	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	4:3:3:	3:3:4:4:	3:3:1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:C-4:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]C)(C[6,6,6a]C[5x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[5x6]HH)(CH3)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]C)(C[6,6,6a]C[5x6]C[6a])(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[5x6]HH)(CH3){1|C<4>,2|H<1>,6|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,3|C<4>}	125.3875	0.067	2	125.3875	0.005	2	125.5062	0.056	4	126.1594	1.070	59	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	4:3:3:	3:3:5:1:	3:3:1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-5:H-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]MgHN)(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|Mg<6>,1|C<5>,1|N<3>,3|C<3>,4|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]MgHN)(H){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){1|C<4>,1|C<5>,2|C<3>,2|H<1>}	126.4890	0.486	4	126.4890	0.236	4	126.4890	0.236	4	126.4890	0.236	4	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	4:3:3:	3:4:2:4:	3:3:1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6]-4:O[6,6]-2:C[6]-4:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[3x6]C[6,6]O[6,6]C[6])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(C[6]C[6]2H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[3x6]C[6,6]O[6,6]C[6])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){3|C<3>,3|C<4>,5|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(C[6]C[6]2H){1|O<1>,2|C<3>,3|C<4>,7|H<1>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	126.6690	0.284	2	126.6690	0.081	2	126.6690	0.081	2	126.6690	0.081	2	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[3,6,6]-4:C[6,6]-3:H-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[3x6]C[3,6,6]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[3,6,6]C[3,6,6]C[3]H)(C[6,6]C[6,6]H)(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[3x6]C[3,6,6]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){2|C<3>,2|C<4>,5|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[3,6,6]C[3,6,6]C[3]H)(C[6,6]C[6,6]H)(H){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	127.1555	0.284	2	127.1555	0.080	2	127.1555	0.080	2	126.7816	0.138	5	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[4,6,6]-4:C[6,6]-3:H-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[3x6]C[4,6,6]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[4,6,6]C[4,6,6]C[4]H)(C[6,6]C[6,6]H)(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[3x6]C[4,6,6]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){2|C<3>,2|C<4>,5|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[4,6,6]C[4,6,6]C[4]H)(C[6,6]C[6,6]H)(H){1|Br<1>,2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	126.5585	0.052	2	126.5585	0.003	2	126.5585	0.003	2	126.7816	0.138	5	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[5,6,6]-4:C[6,6]-3:H-1:	C[6,6,6a]-3:C[6a,6a]-3:H-1:	C[6,6,6a](C[3x6]C[5,6,6]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a,6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]H)(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a,6a]C[6a,6a]C[6a])(H)	C[6,6,6a](C[3x6]C[5,6,6]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a,6a]H){1|C<4>,3|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]H)(H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a,6a]C[6a,6a]C[6a])(H){2|C<4>,2|H<1>,4|C<3>}	126.4800	0.000	1	126.4800	0.000	1	126.4800	0.000	1	126.7816	0.138	5	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	4:3:3:	3:4:3:1:	3:3:2:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[5,6,6]-4:C[6,6]-3:H-1:	C[6,6,6a]-3:C[6,6,6a]-3:C-2:	C[6,6,6a](C[3x6]C[5,6,6]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6,6,6a]C)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]H)(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])2(CC)	C[6,6,6a](C[3x6]C[5,6,6]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6,6,6a]C){1|C<2>,2|C<4>,3|C<3>,3|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]H)(H){1|C<2>,1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])2(CC){2|H<1>,3|C<3>,4|C<4>}	125.3365	0.507	2	125.3365	0.257	2	125.5572	0.182	4	125.5572	0.182	4	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	4:3:3:	3:4:3:1:	3:3:2:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[5,6,6]-4:C[6,6]-3:H-1:	C[6,6,6a]-3:C[6,6,6a]-3:C-2:	C[6,6,6a](C[3x6]C[5,6,6]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6,6,6a]C)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[5,6,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]H)(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])2(CC)	C[6,6,6a](C[3x6]C[5,6,6]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6,6,6a]C){1|C<2>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[5,6,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]H)(H){1|C<2>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])2(CC){2|H<1>,3|C<3>,4|C<4>}	125.7780	0.307	2	125.7780	0.094	2	125.5572	0.182	4	125.5572	0.182	4	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	4:3:3:	3:4:3:1:	3:3:3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[5,6,6]-4:C[6,6]-3:H-1:	C[6,6,6a]-3:C[6a,6a]-3:C-3:	C[6,6,6a](C[3x6]C[5,6,6]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a,6a]C)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]H)(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a,6a]C[6a,6a]C[6a])(COO)	C[6,6,6a](C[3x6]C[5,6,6]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a,6a]C){1|C<4>,4|C<3>,4|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]H)(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a,6a]C[6a,6a]C[6a])(COO){2|C<4>,2|H<1>,4|C<3>}	127.3980	0.000	1	127.3980	0.000	1	127.3980	0.000	1	127.3980	0.000	1	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	4:3:3:	3:4:4:1:	3:3:1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[5,6,6]-4:C[6,6]-4:H-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[3x6]C[5,6,6]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[5,6,6]C[5,6,6]C[5]Ru)(C[6,6]C[6,6]HH)(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[3x6]C[5,6,6]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|Ru<10>,1|C<3>,3|C<4>,5|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[5,6,6]C[5,6,6]C[5]Ru)(C[6,6]C[6,6]HH)(H){2|C<3>,3|C<4>,4|H<1>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	126.9955	0.125	2	126.9955	0.016	2	126.9955	0.016	2	126.9955	0.016	2	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	4:3:3:	3:4:4:1:	3:3:2:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[5,6,6]-4:C[6,6]-4:H-1:	C[6,6,6a]-3:C[6,6,6a]-3:C-2:	C[6,6,6a](C[3x6]C[5,6,6]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6,6,6a]C)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[5,6,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]HO)(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])2(CC)	C[6,6,6a](C[3x6]C[5,6,6]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6,6,6a]C){1|C<2>,1|C<3>,2|O<2>,3|C<4>,3|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[5,6,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]HO)(H){1|C<2>,2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])2(CC){1|C<3>,2|H<1>,6|C<4>}	125.4605	0.220	2	125.4605	0.048	2	125.4605	0.048	2	125.4605	0.048	2	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	4:3:3:	3:4:4:1:	3:3:4:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[5,6,6]-4:C[6,6]-4:H-1:	C[6,6,6a]-3:C[6a]-3:C-4:	C[6,6,6a](C[3x6]C[5,6,6]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]C)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HW)(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(CH3)	C[6,6,6a](C[3x6]C[5,6,6]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]C){1|W<7>,2|C<3>,3|C<4>,4|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HW)(H){1|N<3>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(CH3){1|C<3>,2|H<1>,3|C<4>}	125.3980	0.455	2	125.3980	0.207	2	125.3980	0.207	2	125.3980	0.207	2	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[5,3x6]-4:C[6,6,6a]-3:O[6,6]-2:H-1:	C[6,6,6a]-3:C[5,6a]-3:H-1:	C[6,6,6a](C[3x6]C[5,3x6]O[6,6]H)(C[6,6,6a]C[4x6]C[6a])(C[6a]C[5,6a]H)	C[3x6](C[5,3x6]C[5,4x6]C[5]C[6])(C[6,6,6a]C[6,6,6a]C[6a])(O[6,6]C[3x6])(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[5,6a]C[5,6a]O[5])(H)	C[6,6,6a](C[3x6]C[5,3x6]O[6,6]H)(C[6,6,6a]C[4x6]C[6a])(C[6a]C[5,6a]H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[3x6](C[5,3x6]C[5,4x6]C[5]C[6])(C[6,6,6a]C[6,6,6a]C[6a])(O[6,6]C[3x6])(H){2|C<3>,2|O<2>,4|C<4>,6|H<1>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[5,6a]C[5,6a]O[5])(H){1|C<3>,1|H<1>,2|O<2>,3|C<4>}	126.2840	0.000	1	126.2840	0.000	1	126.2840	0.000	1	126.7732	0.354	5	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[5,3x6]-4:C[6,6,6a]-3:O[6,6]-2:H-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[3x6]C[5,3x6]O[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[5,3x6]C[5,3x6]C[5]C[6])(C[6,6,6a]C[6,6,6a]C[6a])(O[6,6]C[6,6])(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]O)(H)	C[6,6,6a](C[3x6]C[5,3x6]O[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[3x6](C[5,3x6]C[5,3x6]C[5]C[6])(C[6,6,6a]C[6,6,6a]C[6a])(O[6,6]C[6,6])(H){1|O<2>,2|C<3>,4|C<4>,7|H<1>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]O)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	126.5500	0.000	1	126.5500	0.000	1	126.8955	0.372	4	126.7732	0.354	5	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[5,3x6]-4:C[6,6,6a]-3:O[6,6]-2:H-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[3x6]C[5,3x6]O[6,6]H)(C[6,6,6a]C[4x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[5,3x6]C[5,4x6]C[5]C[6])(C[6,6,6a]C[6,6,6a]C[6a])(O[6,6]C[3x6])(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]O)(H)	C[6,6,6a](C[3x6]C[5,3x6]O[6,6]H)(C[6,6,6a]C[4x6]C[6a])(C[6a]C[6a]H){1|C<3>,1|H<1>,2|O<2>,4|C<4>}	C[3x6](C[5,3x6]C[5,4x6]C[5]C[6])(C[6,6,6a]C[6,6,6a]C[6a])(O[6,6]C[3x6])(H){2|C<3>,2|O<2>,4|C<4>,6|H<1>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]O)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	126.6645	0.487	2	127.0107	0.478	3	126.8955	0.372	4	126.7732	0.354	5	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[5,3x6]-4:C[6,6,6a]-3:O[6,6]-2:H-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[3x6]C[5,3x6]O[6,6]H)(C[6,6,6a]C[4x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[5,3x6]C[5,4x6]C[5]C[6])(C[6,6,6a]C[6,6,6a]C[6a])(O[6,6]C[3x6])(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]O)(H)	C[6,6,6a](C[3x6]C[5,3x6]O[6,6]H)(C[6,6,6a]C[4x6]C[6a])(C[6a]C[6a]H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[3x6](C[5,3x6]C[5,4x6]C[5]C[6])(C[6,6,6a]C[6,6,6a]C[6a])(O[6,6]C[3x6])(H){2|C<3>,2|O<2>,4|C<4>,6|H<1>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]O)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	127.7030	0.000	1	127.0107	0.478	3	126.8955	0.372	4	126.7732	0.354	5	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	B[5,5,6,6]-4:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[3x6]B[5,5,6,6]C[6,6,6a]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](B[5,5,6,6]B[5,5,6,6]N[5,5]S[5])(C[6,6,6a]C[6,6,6a]C[6a])2(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[3x6]B[5,5,6,6]C[6,6,6a]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|B<4>,1|N<3>,1|S<2>,3|C<3>,3|H<1>}	C[3x6](B[5,5,6,6]B[5,5,6,6]N[5,5]S[5])(C[6,6,6a]C[6,6,6a]C[6a])2(H){1|C<4>,1|N<3>,1|S<2>,2|H<1>,7|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){1|B<4>,1|C<4>,2|C<3>,2|H<1>}	124.3988	0.531	4	124.3988	0.282	4	124.3988	0.282	4	126.2629	0.877	71	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[5,3x6]-4:C[6,6,6a]-3:C[3x6]-3:H-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[3x6]C[5,3x6]C[3x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[5,3x6]C[5,3x6]C[5,5,6]H)(C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]C[3x6]C[6])(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[3x6]C[5,3x6]C[3x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	C[3x6](C[5,3x6]C[5,3x6]C[5,5,6]H)(C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]C[3x6]C[6])(H){1|O<1>,3|H<1>,4|C<3>,4|C<4>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	124.6120	0.000	1	124.6120	0.000	1	124.6120	0.000	1	126.2629	0.877	71	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[5,3x6]-4:C[6,6,6a]-3:C[6,6,6a]-3:Br-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[3x6]C[6,6,6a]C[5,3x6]Br)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[5,3x6]C[5,3x6]C[5]S[6])(C[6,6,6a]C[6,6,6a]C[6a])2(Br)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,3x6]Br)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,1|S<2>,3|H<1>,4|C<3>}	C[3x6](C[5,3x6]C[5,3x6]C[5]S[6])(C[6,6,6a]C[6,6,6a]C[6a])2(Br){1|C<4>,1|N<3>,1|O<1>,1|S<2>,2|H<1>,6|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,2|C<3>,2|C<4>}	128.2645	1.356	4	128.2645	1.838	4	128.2645	1.838	4	126.2629	0.877	71	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[5,3x6]-4:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[3x6]C[6,6,6a]C[5,3x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[5,3x6]C[5,3x6]C[5]S[6])(C[6,6,6a]C[6,6,6a]C[6a])2(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,3x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|S<2>,2|H<1>,4|C<3>}	C[3x6](C[5,3x6]C[5,3x6]C[5]S[6])(C[6,6,6a]C[6,6,6a]C[6a])2(H){1|C<4>,1|N<3>,1|O<1>,1|S<2>,2|H<1>,6|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	126.0330	1.429	4	125.6138	1.668	6	125.6138	1.668	6	126.2629	0.877	71	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[5,3x6]-4:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[3x6]C[6,6,6a]C[5,3x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[5,3x6]C[5,3x6]C[5]S[6])(C[6,6,6a]C[6,6,6a]C[6a])2(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,3x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,1|S<2>,2|H<1>,5|C<3>}	C[3x6](C[5,3x6]C[5,3x6]C[5]S[6])(C[6,6,6a]C[6,6,6a]C[6a])2(H){1|C<4>,1|N<3>,1|O<1>,1|S<2>,2|H<1>,6|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	124.7755	0.329	2	125.6138	1.668	6	125.6138	1.668	6	126.2629	0.877	71	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[5,4x6]-4:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[6a,6a]-3:H-1:	C[6,6,6a](C[3x6]C[6,6,6a]C[5,4x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a,6a]H)	C[3x6](C[5,4x6]C[5,6,6a]2C[5,4x6])(C[6,6,6a]C[6,6,6a]C[6a])2(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a,6a]C[6a,6a]C[6a])(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,4x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a,6a]H){1|C<4>,2|H<1>,6|C<3>}	C[3x6](C[5,4x6]C[5,6,6a]2C[5,4x6])(C[6,6,6a]C[6,6,6a]C[6a])2(H){10|C<3>,1|C<4>,2|H<1>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a,6a]C[6a,6a]C[6a])(H){2|C<4>,2|H<1>,4|C<3>}	126.3420	0.345	4	126.3420	0.119	4	126.3420	0.119	4	126.2629	0.877	71	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[5,4x6]-4:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[6a]-3:Br-1:	C[6,6,6a](C[3x6]C[6,6,6a]C[5,4x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]Br)	C[3x6](C[5,4x6]C[5,4x6]C[3x6]C[5])(C[6,6,6a]C[6,6,6a]C[6a])2(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(Br)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,4x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]Br){1|Br<1>,2|C<4>,2|H<1>,4|C<3>}	C[3x6](C[5,4x6]C[5,4x6]C[3x6]C[5])(C[6,6,6a]C[6,6,6a]C[6a])2(H){1|Br<1>,1|O<1>,1|O<2>,2|C<4>,2|H<1>,7|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(Br){2|C<3>,2|C<4>,2|H<1>}	127.3565	0.013	2	127.3565	0.000	2	127.3565	0.000	2	126.2629	0.877	71	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[5,4x6]-4:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[3x6]C[6,6,6a]C[5,4x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[5,4x6]C[5,4x6]C[3x6]C[5])(C[6,6,6a]C[6,6,6a]C[6a])2(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,4x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	C[3x6](C[5,4x6]C[5,4x6]C[3x6]C[5])(C[6,6,6a]C[6,6,6a]C[6a])2(H){1|Br<1>,1|O<1>,1|O<2>,2|C<4>,2|H<1>,7|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	126.2835	0.245	2	126.1871	0.104	28	126.3021	0.171	46	126.2629	0.877	71	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[5,4x6]-4:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[3x6]C[6,6,6a]C[5,4x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[5,4x6]C[5,4x6]C[3x6]C[5])(C[6,6,6a]C[6,6,6a]C[6a])2(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,4x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	C[3x6](C[5,4x6]C[5,4x6]C[3x6]C[5])(C[6,6,6a]C[6,6,6a]C[6a])2(H){1|C<2>,1|O<1>,1|O<2>,2|C<4>,2|H<1>,7|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	126.1580	0.243	2	126.1871	0.104	28	126.3021	0.171	46	126.2629	0.877	71	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[5,4x6]-4:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[3x6]C[6,6,6a]C[5,4x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[5,4x6]C[5,4x6]C[3x6]C[5])(C[6,6,6a]C[6,6,6a]C[6a])2(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,4x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	C[3x6](C[5,4x6]C[5,4x6]C[3x6]C[5])(C[6,6,6a]C[6,6,6a]C[6a])2(H){1|O<1>,1|O<2>,2|C<4>,3|H<1>,7|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	126.1278	0.339	20	126.1871	0.104	28	126.3021	0.171	46	126.2629	0.877	71	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[5,4x6]-4:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[3x6]C[6,6,6a]C[5,4x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[5,4x6]C[5,4x6]C[3x6]C[5])(C[6,6,6a]C[6,6,6a]C[6a])2(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,4x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	C[3x6](C[5,4x6]C[5,4x6]C[3x6]C[5])(C[6,6,6a]C[6,6,6a]C[6a])2(H){1|O<1>,1|O<2>,2|H<1>,3|C<4>,7|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	126.4685	0.247	2	126.1871	0.104	28	126.3021	0.171	46	126.2629	0.877	71	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[5,4x6]-4:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[3x6]C[6,6,6a]C[5,4x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[5,4x6]C[5,4x6]C[3x6]C[5])(C[6,6,6a]C[6,6,6a]C[6a])2(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,4x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	C[3x6](C[5,4x6]C[5,4x6]C[3x6]C[5])(C[6,6,6a]C[6,6,6a]C[6a])2(H){1|O<1>,2|C<4>,2|H<1>,2|O<2>,7|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	126.4310	0.260	2	126.1871	0.104	28	126.3021	0.171	46	126.2629	0.877	71	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[5,4x6]-4:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[3x6]C[6,6,6a]C[5,4x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[5,4x6]C[5,6,6a]2C[5,4x6])(C[6,6,6a]C[6,6,6a]C[6a])2(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,4x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,3|H<1>,5|C<3>}	C[3x6](C[5,4x6]C[5,6,6a]2C[5,4x6])(C[6,6,6a]C[6,6,6a]C[6a])2(H){10|C<3>,1|C<4>,2|H<1>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	126.4809	0.481	18	126.4809	0.231	18	126.3021	0.171	46	126.2629	0.877	71	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[5,5,3x6]-4:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[6a]-3:Br-1:	C[6,6,6a](C[3x6]C[5,5,3x6]C[6,6,6a]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]Br)	C[3x6](C[5,5,3x6]C[5,5,3x6]C[5,5,6]C[5])(C[6,6,6a]C[6,6,6a]C[6a])2(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]Br)(Br)	C[6,6,6a](C[3x6]C[5,5,3x6]C[6,6,6a]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]Br){2|Br<1>,1|H<1>,2|C<4>,4|C<3>}	C[3x6](C[5,5,3x6]C[5,5,3x6]C[5,5,6]C[5])(C[6,6,6a]C[6,6,6a]C[6a])2(H){1|Br<1>,1|O<1>,1|O<2>,2|H<1>,4|C<4>,5|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]Br)(Br){1|Br<1>,1|H<1>,2|C<3>,2|C<4>}	126.6410	0.383	2	126.6410	0.147	2	126.6410	0.147	2	126.2629	0.877	71	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[5,5,3x6]-4:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[3x6]C[5,5,3x6]C[6,6,6a]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[5,5,3x6]C[5,5,3x6]C[5,5,6]C[5])(C[6,6,6a]C[6,6,6a]C[6a])2(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[3x6]C[5,5,3x6]C[6,6,6a]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	C[3x6](C[5,5,3x6]C[5,5,3x6]C[5,5,6]C[5])(C[6,6,6a]C[6,6,6a]C[6a])2(H){1|Br<1>,1|O<1>,1|O<2>,2|H<1>,4|C<4>,5|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	126.2300	0.757	2	126.2300	0.572	2	126.2300	0.572	2	126.2629	0.877	71	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	4:3:3:	4:3:3:1:	3:3:2:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[5,3x6]-4:C[6,6,6a]-3:C[6,6]-3:H-1:	C[6,6,6a]-3:C[6,6,6a]-3:O-2:	C[6,6,6a](C[3x6]C[5,3x6]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6,6,6a]O)	C[3x6](C[5,3x6]C[5,3x6]C[5,5,6]H)(C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]H)(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])2(OH)	C[6,6,6a](C[3x6]C[5,3x6]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6,6,6a]O){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[3x6](C[5,3x6]C[5,3x6]C[5,5,6]H)(C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]H)(H){1|Cl<1>,1|O<2>,2|H<1>,3|C<3>,3|C<4>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])2(OH){2|H<1>,3|C<3>,4|C<4>}	126.2218	0.674	4	126.2218	0.454	4	126.2218	0.454	4	125.9171	0.406	8	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	4:3:3:	4:3:3:1:	3:3:2:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[5,4x6]-4:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[6a]-3:C-2:	C[6,6,6a](C[3x6]C[6,6,6a]C[5,4x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]C)	C[3x6](C[5,4x6]C[5,4x6]C[3x6]C[5])(C[6,6,6a]C[6,6,6a]C[6a])2(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(CC)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,4x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]C){1|C<2>,2|C<4>,2|H<1>,4|C<3>}	C[3x6](C[5,4x6]C[5,4x6]C[3x6]C[5])(C[6,6,6a]C[6,6,6a]C[6a])2(H){1|C<2>,1|O<1>,1|O<2>,2|C<4>,2|H<1>,7|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(CC){2|C<3>,2|C<4>,2|H<1>}	125.7450	0.775	2	125.7450	0.601	2	125.7450	0.601	2	125.9171	0.406	8	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	4:3:3:	4:3:3:1:	3:3:2:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[5,4x6]-4:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[6a]-3:O-2:	C[6,6,6a](C[3x6]C[6,6,6a]C[5,4x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]O)	C[3x6](C[5,4x6]C[5,4x6]C[3x6]C[5])(C[6,6,6a]C[6,6,6a]C[6a])2(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(OC)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,4x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]O){1|O<2>,2|C<4>,2|H<1>,4|C<3>}	C[3x6](C[5,4x6]C[5,4x6]C[3x6]C[5])(C[6,6,6a]C[6,6,6a]C[6a])2(H){1|O<1>,2|C<4>,2|H<1>,2|O<2>,7|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(OC){2|C<3>,2|C<4>,2|H<1>}	125.4800	0.259	2	125.4800	0.067	2	125.4800	0.067	2	125.9171	0.406	8	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	4:3:3:	4:3:3:1:	3:3:4:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[5,4x6]-4:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[6a]-3:C-4:	C[6,6,6a](C[3x6]C[6,6,6a]C[5,4x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]C)	C[3x6](C[5,4x6]C[5,4x6]C[3x6]C[5])(C[6,6,6a]C[6,6,6a]C[6a])2(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(CH3)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,4x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<4>,4|C<3>}	C[3x6](C[5,4x6]C[5,4x6]C[3x6]C[5])(C[6,6,6a]C[6,6,6a]C[6a])2(H){1|O<1>,1|O<2>,2|H<1>,3|C<4>,7|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(CH3){2|C<3>,2|C<4>,2|H<1>}	125.1265	0.308	2	125.1265	0.095	2	125.1265	0.095	2	125.1265	0.095	2	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	4:3:3:	4:3:3:3:	3:3:1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[5,3x6]-4:C[6,6,6a]-3:C[3x6]-3:C-3:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[3x6]C[5,3x6]C[3x6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[5,3x6]C[5,3x6]C[5,5,6]H)(C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]C[3x6]C[6])(CC[6a]O)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[3x6]C[5,3x6]C[3x6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	C[3x6](C[5,3x6]C[5,3x6]C[5,5,6]H)(C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]C[3x6]C[6])(CC[6a]O){1|O<1>,3|H<1>,4|C<3>,4|C<4>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	126.4390	0.000	1	126.4390	0.000	1	126.4390	0.000	1	126.3613	0.011	3	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	4:3:3:	4:3:3:3:	3:3:1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[5,3x6]-4:C[6,6,6a]-3:C[6,6,6a]-3:C-3:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[3x6]C[6,6,6a]C[5,3x6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[5,3x6]C[5,3x6]C[5]S[6])(C[6,6,6a]C[6,6,6a]C[6a])2(CCH)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,3x6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,1|S<2>,3|H<1>,4|C<3>}	C[3x6](C[5,3x6]C[5,3x6]C[5]S[6])(C[6,6,6a]C[6,6,6a]C[6a])2(CCH){1|C<4>,1|N<3>,1|O<1>,1|S<2>,2|H<1>,6|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	126.3225	0.118	2	126.3225	0.014	2	126.3225	0.014	2	126.3613	0.011	3	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[5,3x6]-4:C[6,6,6a]-3:C[3x6]-4:H-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[3x6]C[5,3x6]C[3x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[5,3x6]C[5,3x6]C[5,5,6]H)(C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]C[3x6]C[6]H)(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[3x6]C[5,3x6]C[3x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){3|C<3>,3|C<4>,4|H<1>}	C[3x6](C[5,3x6]C[5,3x6]C[5,5,6]H)(C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]C[3x6]C[6]H)(H){1|O<1>,4|C<3>,4|C<4>,4|H<1>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	124.2700	0.000	1	124.2700	0.000	1	124.2700	0.000	1	126.7555	3.228	4	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[5,3x6]-4:C[6,6,6a]-3:C[6,6]-4:H-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[3x6]C[5,3x6]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[5,3x6]C[5,3x6]C[6]O[5])(C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]O[6,6]HH)(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[3x6]C[5,3x6]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<3>,2|C<4>,2|O<2>,5|H<1>}	C[3x6](C[5,3x6]C[5,3x6]C[6]O[5])(C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]O[6,6]HH)(H){2|C<3>,3|H<1>,5|C<4>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	128.5650	0.000	1	128.5650	0.000	1	128.5650	0.000	1	126.7555	3.228	4	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[5,6,6]-4:C[6,6,6a]-3:C[6,6]-4:H-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[3x6]C[5,6,6]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[5,6,6]C[5,6,6]C[5,6]Ru)(C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[3x6]C[5,6,6]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|Ru<10>,1|C<3>,3|C<4>,5|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5,6]Ru)(C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)(H){3|C<3>,3|C<4>,3|H<1>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	127.0935	0.063	2	127.0935	0.004	2	127.0935	0.004	2	126.7555	3.228	4	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	4:3:3:	4:3:4:3:	3:3:1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[5,3x6]-4:C[6,6,6a]-3:C[3x6]-4:C-3:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[3x6]C[5,3x6]C[3x6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[5,3x6]C[5,3x6]C[5,5,6]H)(C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]C[3x6]C[6]H)(CC[6a]O)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[3x6]C[5,3x6]C[3x6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){2|C<3>,3|C<4>,5|H<1>}	C[3x6](C[5,3x6]C[5,3x6]C[5,5,6]H)(C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]C[3x6]C[6]H)(CC[6a]O){1|O<1>,4|C<3>,4|C<4>,4|H<1>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,3|C<4>}	128.6590	0.000	1	128.6590	0.000	1	128.6590	0.000	1	128.6590	0.000	1	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	4:3:3:	6:3:3:1:	3:3:1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[5x3,5x5,22x6]-6:C[6,6,6a]-3:C[6,6]-3:H-1:	C[6,6,6a]-3:C[6a,6a]-3:H-1:	C[6,6,6a](C[3x6]C[5x3,5x5,22x6]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a,6a]H)	C[3x6](C[5x3,5x5,22x6]B[5x3,5x5,20x6]4C[5x3,5x5,22x6])(C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]H)(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a,6a]C[6a,6a]C[6a])(H)	C[6,6,6a](C[3x6]C[5x3,5x5,22x6]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a,6a]H){1|C<6>,3|C<3>,3|H<1>,4|B<6>}	C[3x6](C[5x3,5x5,22x6]B[5x3,5x5,20x6]4C[5x3,5x5,22x6])(C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]H)(H){1|C<4>,2|C<3>,5|B<6>,6|H<1>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a,6a]C[6a,6a]C[6a])(H){1|C<4>,1|C<6>,2|H<1>,4|C<3>}	126.4440	0.058	2	126.4440	0.003	2	126.4440	0.003	2	125.9760	0.659	3	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6a]	4:3:3:	6:3:3:1:	3:3:1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[5x3,5x5,22x6]-6:C[6,6,6a]-3:C[6,6]-3:H-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[3x6]C[5x3,5x5,22x6]C[6,6]H)(C[6,6,6a]C[6a,6a]C[3x6])(C[6a]C[6a]H)	C[3x6](C[5x3,5x5,22x6]B[5x3,5x5,20x6]4C[5x3,5x5,22x6])(C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]H)(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a,6a]H)(H)	C[6,6,6a](C[3x6]C[5x3,5x5,22x6]C[6,6]H)(C[6,6,6a]C[6a,6a]C[3x6])(C[6a]C[6a]H){1|C<6>,3|C<3>,3|H<1>,4|B<6>}	C[3x6](C[5x3,5x5,22x6]B[5x3,5x5,20x6]4C[5x3,5x5,22x6])(C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]H)(H){1|C<4>,2|C<3>,5|B<6>,6|H<1>}	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a,6a]H)(H){1|C<4>,1|C<6>,1|H<1>,3|C<3>}	125.0400	0.000	1	125.0400	0.000	1	125.0400	0.000	1	125.9760	0.659	3	126.3881	1.032	2457	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[4x6]	C[6a]	3:4:3:	3:4:4:1:	3:3:1:	C[6,6,6a]-3:C[4x6]-4:C[6a]-3:	C[6,6,6a]-3:C[3x6]-4:C[3x6]-4:H-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[4x6]C[3x6]2H)(C[6a]C[6a]H)	C[4x6](C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]C[6,6]C[6]C)(C[3x6]N[6,6]C[6]C)(H)	C[6a](C[6,6,6a]C[6,6,6a]C[4x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[4x6]C[3x6]2H)(C[6a]C[6a]H){1|C<3>,1|N<3>,3|H<1>,5|C<4>}	C[4x6](C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]C[6,6]C[6]C)(C[3x6]N[6,6]C[6]C)(H){1|C<4>,4|C<3>,7|H<1>}	C[6a](C[6,6,6a]C[6,6,6a]C[4x6])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	127.0750	0.000	1	127.0750	0.000	1	126.9957	0.019	3	126.9957	0.019	3	126.9590	1.502	23	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[4x6]	C[6a]	3:4:3:	3:4:4:1:	3:3:1:	C[6,6,6a]-3:C[4x6]-4:C[6a]-3:	C[6,6,6a]-3:C[3x6]-4:C[3x6]-4:H-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[4x6]C[3x6]2H)(C[6a]C[6a]H)	C[4x6](C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]C[6,6a]C[6,6]C)(C[3x6]N[6,6]O[6]H)(H)	C[6a](C[6,6,6a]C[6,6,6a]C[4x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[4x6]C[3x6]2H)(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[4x6](C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]C[6,6a]C[6,6]C)(C[3x6]N[6,6]O[6]H)(H){2|C<4>,3|H<1>,4|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[4x6])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	127.0740	0.000	1	126.9560	0.028	2	126.9957	0.019	3	126.9957	0.019	3	126.9590	1.502	23	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[4x6]	C[6a]	3:4:3:	3:4:4:1:	3:3:1:	C[6,6,6a]-3:C[4x6]-4:C[6a]-3:	C[6,6,6a]-3:C[3x6]-4:C[3x6]-4:H-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[4x6]C[3x6]2H)(C[6a]C[6a]H)	C[4x6](C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]C[6,6a]C[6,6]C)(C[3x6]N[6,6]O[6]H)(H)	C[6a](C[6,6,6a]C[6,6,6a]C[4x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[4x6]C[3x6]2H)(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[4x6](C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]C[6,6a]C[6,6]C)(C[3x6]N[6,6]O[6]H)(H){2|C<4>,3|H<1>,4|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[4x6])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	126.8380	0.000	1	126.9560	0.028	2	126.9957	0.019	3	126.9957	0.019	3	126.9590	1.502	23	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[4x6]	C[6a]	3:4:3:	3:4:4:2:	3:3:1:	C[6,6,6a]-3:C[4x6]-4:C[6a]-3:	C[6,6,6a]-3:C[4x6]-4:C[3x6]-4:O-2:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[4x6]C[3x6]C[4x6]O)(C[6a]C[6a]H)	C[4x6](C[6,6,6a]C[6,6,6a]C[6a])(C[4x6]C[3x6]O[6,6]C)(C[3x6]O[6,6]C[6]O)(OC)	C[6a](C[6,6,6a]C[6,6,6a]C[4x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[4x6]C[3x6]C[4x6]O)(C[6a]C[6a]H){1|C<3>,3|C<4>,3|H<1>,3|O<2>}	C[4x6](C[6,6,6a]C[6,6,6a]C[6a])(C[4x6]C[3x6]O[6,6]C)(C[3x6]O[6,6]C[6]O)(OC){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6,6,6a]C[6,6,6a]C[4x6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	129.1360	0.199	2	129.1360	0.040	2	129.1360	0.040	2	129.1360	0.040	2	126.9590	1.502	23	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[4x6]	C[6a]	4:3:3:	3:3:3:2:	3:3:1:	C[4x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:O[6]-2:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[4x6]C[3x6,6a]C[6,6,6a]O[6])(C[6,6,6a]C[4x6]C[6a])(C[6a]C[6a]H)	C[4x6](C[3x6,6a]C[3x6,6a]C[6,6a])(C[6,6,6a]C[6,6,6a]C[6a])2(O[6]C[5a,6])	C[6a](C[6,6,6a]C[6,6,6a]C[4x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[4x6]C[3x6,6a]C[6,6,6a]O[6])(C[6,6,6a]C[4x6]C[6a])(C[6a]C[6a]H){1|O<2>,2|H<1>,6|C<3>}	C[4x6](C[3x6,6a]C[3x6,6a]C[6,6a])(C[6,6,6a]C[6,6,6a]C[6a])2(O[6]C[5a,6]){1|C<4>,2|H<1>,8|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[4x6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	126.0585	0.118	4	126.0585	0.014	4	126.2194	0.051	8	126.2194	0.051	8	126.9590	1.502	23	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[4x6]	C[6a]	4:3:3:	3:3:3:2:	3:3:1:	C[4x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:O[6]-2:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[4x6]C[3x6,6a]C[6,6,6a]O[6])(C[6,6,6a]C[4x6]C[6a])(C[6a]C[6a]H)	C[4x6](C[3x6,6a]C[3x6,6a]C[6,6a])(C[6,6,6a]C[6,6,6a]C[6a])2(O[6]C[6,6a])	C[6a](C[6,6,6a]C[6,6,6a]C[4x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[4x6]C[3x6,6a]C[6,6,6a]O[6])(C[6,6,6a]C[4x6]C[6a])(C[6a]C[6a]H){1|O<2>,2|H<1>,6|C<3>}	C[4x6](C[3x6,6a]C[3x6,6a]C[6,6a])(C[6,6,6a]C[6,6,6a]C[6a])2(O[6]C[6,6a]){1|C<4>,2|H<1>,8|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[4x6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	126.3803	0.191	4	126.3803	0.036	4	126.2194	0.051	8	126.2194	0.051	8	126.9590	1.502	23	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[4x6]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[4x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6]-3:C[6,6a]-3:C[5x6]-3:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[4x6]C[6,6a]C[5x6]C[6,6])(C[6,6,6a]C[5,3x6]C[6a])(C[6a]C[6a]H)	C[4x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[5,6,6]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5x6]C[3x6]C[5x6])	C[6a](C[6,6,6a]C[6,6,6a]C[4x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[4x6]C[6,6a]C[5x6]C[6,6])(C[6,6,6a]C[5,3x6]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,7|C<3>}	C[4x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[5,6,6]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5x6]C[3x6]C[5x6]){2|Si<4>,2|C<4>,2|H<1>,8|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[4x6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,4|C<3>}	125.3930	0.000	1	125.3930	0.000	1	125.3930	0.000	1	126.1017	0.405	3	126.9590	1.502	23	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[4x6]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[4x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6a]-3:C[4x6]-3:C[6,6]-3:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[4x6]C[6,6a]C[4x6]C[6,6])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[4x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[4x6]C[3x6]C[6,6])(C[6,6]C[6,6]H)	C[6a](C[6,6,6a]C[6,6,6a]C[4x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[4x6]C[6,6a]C[4x6]C[6,6])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){4|H<1>,6|C<3>}	C[4x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[4x6]C[3x6]C[6,6])(C[6,6]C[6,6]H){1|C<4>,1|N<2>,3|H<1>,6|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[4x6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,4|C<3>}	126.4560	0.238	2	126.4560	0.056	2	126.4560	0.056	2	126.1017	0.405	3	126.9590	1.502	23	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[4x6]	C[6a]	4:3:3:	3:3:3:4:	3:3:1:	C[4x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[3x6]-3:C[6,6]-3:C[6]-4:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[4x6]C[3x6]C[6,6]C[6])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[4x6](C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]C[6,6]2)(C[6,6]C[6,6]O)(C[6]C[6]HH)	C[6a](C[6,6,6a]C[6,6,6a]C[4x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[4x6]C[3x6]C[6,6]C[6])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|O<1>,2|C<4>,3|C<3>,5|H<1>}	C[4x6](C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]C[6,6]2)(C[6,6]C[6,6]O)(C[6]C[6]HH){1|O<1>,2|C<3>,4|C<4>,4|H<1>}	C[6a](C[6,6,6a]C[6,6,6a]C[4x6])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	125.5430	0.000	1	125.5430	0.000	1	125.5430	0.000	1	125.5430	0.000	1	126.9590	1.502	23	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[4x6]	C[6a]	4:3:3:	3:4:4:4:	3:3:1:	C[4x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[3x6]-4:C[6,6]-4:C[6]-4:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[4x6]C[3x6]C[6,6]C[6])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[4x6](C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]C[6,6]C[6]H)(C[6,6]O[6,6]HH)(C[6]C[6]HH)	C[6a](C[6,6,6a]C[6,6,6a]C[4x6])(C[6a]C[6a]O)(H)	C[6,6,6a](C[4x6]C[3x6]C[6,6]C[6])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<3>,2|O<2>,3|C<4>,7|H<1>}	C[4x6](C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]C[6,6]C[6]H)(C[6,6]O[6,6]HH)(C[6]C[6]HH){2|C<3>,4|C<4>,5|H<1>}	C[6a](C[6,6,6a]C[6,6,6a]C[4x6])(C[6a]C[6a]O)(H){1|C<3>,5|C<4>}	127.0080	0.000	1	127.0080	0.000	1	127.0080	0.000	1	127.0080	0.000	1	126.9590	1.502	23	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[4x6]	C[6a]	4:3:3:	3:4:4:4:	3:3:2:	C[4x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[3x6]-4:C[6,6]-4:C[6]-4:	C[6,6,6a]-3:C[6a]-3:O-2:	C[6,6,6a](C[4x6]C[3x6]C[6,6]C[6])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]O)	C[4x6](C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]C[6,6]C[6]H)(C[6,6]O[6,6]HH)(C[6]C[6]HH)	C[6a](C[6,6,6a]C[6,6,6a]C[4x6])(C[6a]C[6a]O)(OH)	C[6,6,6a](C[4x6]C[3x6]C[6,6]C[6])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]O){1|C<3>,2|O<2>,3|C<4>,7|H<1>}	C[4x6](C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]C[6,6]C[6]H)(C[6,6]O[6,6]HH)(C[6]C[6]HH){2|C<3>,2|O<2>,3|H<1>,4|C<4>}	C[6a](C[6,6,6a]C[6,6,6a]C[4x6])(C[6a]C[6a]O)(OH){1|C<3>,5|C<4>}	130.3620	0.000	1	130.3620	0.000	1	130.3620	0.000	1	130.3620	0.000	1	126.9590	1.502	23	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[4x6]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[4x6]-4:C[6,6,6a]-3:C[6a]-3:	C[5,4x6]-4:C[6,6,6a]-3:C[3x6]-4:H-1:	C[6,6,6a]-3:C[5,6a]-3:H-1:	C[6,6,6a](C[4x6]C[5,4x6]C[3x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[5,6a]H)	C[4x6](C[5,4x6]C[5,3x6]O[5,6]C[6])(C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]O[6,6]O[6]H)(H)	C[6a](C[6,6,6a]C[6,6,6a]C[4x6])(C[5,6a]C[5,6a]O[5])(H)	C[6,6,6a](C[4x6]C[5,4x6]C[3x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[5,6a]H){1|C<3>,2|C<4>,3|H<1>,4|O<2>}	C[4x6](C[5,4x6]C[5,3x6]O[5,6]C[6])(C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]O[6,6]O[6]H)(H){2|C<3>,3|H<1>,5|C<4>}	C[6a](C[6,6,6a]C[6,6,6a]C[4x6])(C[5,6a]C[5,6a]O[5])(H){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	126.5480	0.000	1	126.5480	0.000	1	126.5480	0.000	1	127.2395	0.956	2	126.9590	1.502	23	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[4x6]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[4x6]-4:C[6,6,6a]-3:C[6a]-3:	C[5,4x6]-4:C[6,6,6a]-3:C[3x6]-4:H-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[4x6]C[5,4x6]C[3x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[4x6](C[5,4x6]C[5,3x6]O[5,6]C[6])(C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]O[6,6]O[6]H)(H)	C[6a](C[6,6,6a]C[6,6,6a]C[4x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[4x6]C[5,4x6]C[3x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<3>,2|C<4>,3|O<2>,4|H<1>}	C[4x6](C[5,4x6]C[5,3x6]O[5,6]C[6])(C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]O[6,6]O[6]H)(H){2|C<3>,3|H<1>,5|C<4>}	C[6a](C[6,6,6a]C[6,6,6a]C[4x6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	127.9310	0.000	1	127.9310	0.000	1	127.9310	0.000	1	127.2395	0.956	2	126.9590	1.502	23	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[4x6]	C[6a]	4:3:3:	4:3:4:1:	3:3:2:	C[4x6]-4:C[6,6,6a]-3:C[6a]-3:	C[5,4x6]-4:C[6,6,6a]-3:C[3x6]-4:H-1:	C[6,6,6a]-3:C[6a]-3:O-2:	C[6,6,6a](C[4x6]C[5,4x6]C[3x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]O)	C[4x6](C[5,4x6]C[5,3x6]O[5,6]C[6])(C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]O[6,6]O[6]H)(H)	C[6a](C[6,6,6a]C[6,6,6a]C[4x6])(C[6a]C[6a]H)(OC)	C[6,6,6a](C[4x6]C[5,4x6]C[3x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]O){1|C<3>,2|C<4>,3|O<2>,4|H<1>}	C[4x6](C[5,4x6]C[5,3x6]O[5,6]C[6])(C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]O[6,6]O[6]H)(H){1|O<2>,2|C<3>,2|H<1>,5|C<4>}	C[6a](C[6,6,6a]C[6,6,6a]C[4x6])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	127.6735	0.080	2	127.6735	0.006	2	127.6735	0.006	2	127.6735	0.006	2	126.9590	1.502	23	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[5x6]	C[6a]	4:3:3:	3:3:4:4:	3:3:1:	C[5x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[5x6]-4:C[6,6]-4:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[5x6]C[6,6,6a]C[5x6]C[6,6])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[5x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5x6]C[6,6,6a]2C[6,6])(C[6,6]C[3x6]HH)	C[6a](C[6,6,6a]C[6,6,6a]C[5x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[5x6]C[6,6,6a]C[5x6]C[6,6])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){3|C<4>,4|H<1>,5|C<3>}	C[5x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5x6]C[6,6,6a]2C[6,6])(C[6,6]C[3x6]HH){2|C<4>,4|H<1>,8|C<3>}	C[6a](C[6,6,6a]C[6,6,6a]C[5x6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,3|C<4>}	126.8765	0.090	2	126.8765	0.008	2	126.8765	0.008	2	126.8765	0.008	2	127.6865	1.139	4	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[5x6]	C[6a]	4:3:3:	4:3:3:3:	3:3:1:	C[5x6]-4:C[6,6,6a]-3:C[6a]-3:	C[5,3x6]-4:C[6,6,6a]-3:C[6,6,6a]-3:C[5x6]-3:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[5x6]C[6,6,6a]C[5,3x6]C[5x6])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[5x6](C[5,3x6]C[6,6,6a]C[5,6,6]C[5,6a])(C[6,6,6a]C[6,6,6a]C[6a])2(C[5x6]C[3x6]C[4x6])	C[6a](C[6,6,6a]C[6,6,6a]C[5x6])(C[6a]C[6a]H)(H)	C[6,6,6a](C[5x6]C[6,6,6a]C[5,3x6]C[5x6])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,3|H<1>,7|C<3>}	C[5x6](C[5,3x6]C[6,6,6a]C[5,6,6]C[5,6a])(C[6,6,6a]C[6,6,6a]C[6a])2(C[5x6]C[3x6]C[4x6]){10|C<3>,2|Si<4>,1|C<4>,2|H<1>}	C[6a](C[6,6,6a]C[6,6,6a]C[5x6])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	129.1230	0.000	1	129.1230	0.000	1	128.4965	0.785	2	128.4965	0.785	2	127.6865	1.139	4	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[5x6]	C[6a]	4:3:3:	4:3:3:3:	3:3:1:	C[5x6]-4:C[6,6,6a]-3:C[6a]-3:	C[5,3x6]-4:C[6,6,6a]-3:C[6,6,6a]-3:C[5x6]-3:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[5x6]C[6,6,6a]C[5,3x6]C[5x6])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[5x6](C[5,3x6]C[6,6,6a]C[5,6,6]C[5,6a])(C[6,6,6a]C[6,6,6a]C[6a])2(C[5x6]C[3x6]C[4x6])	C[6a](C[6,6,6a]C[6,6,6a]C[5x6])(C[6a]C[6a]O)(H)	C[6,6,6a](C[5x6]C[6,6,6a]C[5,3x6]C[5x6])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,7|C<3>}	C[5x6](C[5,3x6]C[6,6,6a]C[5,6,6]C[5,6a])(C[6,6,6a]C[6,6,6a]C[6a])2(C[5x6]C[3x6]C[4x6]){10|C<3>,2|Si<4>,1|C<4>,2|H<1>}	C[6a](C[6,6,6a]C[6,6,6a]C[5x6])(C[6a]C[6a]O)(H){1|H<1>,2|C<4>,3|C<3>}	127.8700	0.000	1	127.8700	0.000	1	128.4965	0.785	2	128.4965	0.785	2	127.6865	1.139	4	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[6,6]	C[6a]	3:4:3:	3:4:1:1:	3:3:1:	C[6,6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6,6a]-3:C[4,6,6]-4:H-1:H-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[6,6,6a]C[4,6,6]C[6a])(C[6,6]C[4,6,6]HH)(C[6a]C[6a]H)	C[6,6](C[6,6,6a]C[6,6,6a]C[6a])(C[4,6,6]C[4,6]2H)(H)2	C[6a](C[6,6,6a]C[6,6,6a]C[6,6])(C[6a]C[5a]N[6a])(H)	C[6,6,6a](C[6,6,6a]C[4,6,6]C[6a])(C[6,6]C[4,6,6]HH)(C[6a]C[6a]H){1|C<3>,1|N<2>,2|C<4>,3|H<1>}	C[6,6](C[6,6,6a]C[6,6,6a]C[6a])(C[4,6,6]C[4,6]2H)(H)2{2|C<3>,3|C<4>,3|H<1>}	C[6a](C[6,6,6a]C[6,6,6a]C[6,6])(C[6a]C[5a]N[6a])(H){1|N<2>,2|C<3>,2|C<4>,2|H<1>}	124.4465	1.124	2	124.4465	1.262	2	124.0984	0.497	12	124.0984	0.497	12	124.0984	0.497	12	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[6,6]	C[6a]	3:4:3:	3:4:1:1:	3:3:1:	C[6,6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6,6a]-3:C[4,6,6]-4:H-1:H-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[6,6,6a]C[4,6,6]C[6a])(C[6,6]C[4,6,6]HH)(C[6a]C[6a]H)	C[6,6](C[6,6,6a]C[6,6,6a]C[6a])(C[4,6,6]C[4,6]2H)(H)2	C[6a](C[6,6,6a]C[6,6,6a]C[6,6])(C[6a]C[6a]N[6a])(H)	C[6,6,6a](C[6,6,6a]C[4,6,6]C[6a])(C[6,6]C[4,6,6]HH)(C[6a]C[6a]H){1|C<3>,1|N<2>,2|C<4>,3|H<1>}	C[6,6](C[6,6,6a]C[6,6,6a]C[6a])(C[4,6,6]C[4,6]2H)(H)2{2|C<3>,3|C<4>,3|H<1>}	C[6a](C[6,6,6a]C[6,6,6a]C[6,6])(C[6a]C[6a]N[6a])(H){1|N<2>,2|C<3>,2|C<4>,2|H<1>}	123.9766	0.673	8	123.9429	0.406	9	124.0984	0.497	12	124.0984	0.497	12	124.0984	0.497	12	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[6,6]	C[6a]	3:4:3:	3:4:1:1:	3:3:1:	C[6,6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6,6a]-3:C[4,6,6]-4:H-1:H-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[6,6,6a]C[4,6,6]C[6a])(C[6,6]C[4,6,6]HH)(C[6a]C[6a]H)	C[6,6](C[6,6,6a]C[6,6,6a]C[6a])(C[4,6,6]C[4,6]2H)(H)2	C[6a](C[6,6,6a]C[6,6,6a]C[6,6])(C[6a]C[6a]N[6a])(H)	C[6,6,6a](C[6,6,6a]C[4,6,6]C[6a])(C[6,6]C[4,6,6]HH)(C[6a]C[6a]H){1|C<3>,1|N<2>,2|C<4>,3|H<1>}	C[6,6](C[6,6,6a]C[6,6,6a]C[6a])(C[4,6,6]C[4,6]2H)(H)2{2|C<3>,3|C<4>,3|H<1>}	C[6a](C[6,6,6a]C[6,6,6a]C[6,6])(C[6a]C[6a]N[6a])(H){2|C<4>,2|H<1>,3|C<3>}	123.6730	0.000	1	123.9429	0.406	9	124.0984	0.497	12	124.0984	0.497	12	124.0984	0.497	12	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6,6a]	C[6,6]	C[6a]	3:4:3:	3:4:1:1:	3:3:1:	C[6,6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6,6a]-3:C[4,6,6]-4:H-1:H-1:	C[6,6,6a]-3:C[6a]-3:H-1:	C[6,6,6a](C[6,6,6a]C[4,6,6]C[6a])(C[6,6]C[4,6,6]HH)(C[6a]C[6a]H)	C[6,6](C[6,6,6a]C[6,6,6a]C[6a])(C[4,6,6]C[4,6]2H)(H)2	C[6a](C[6,6,6a]C[6,6,6a]C[6,6])(C[6a]N[6a]C)(H)	C[6,6,6a](C[6,6,6a]C[4,6,6]C[6a])(C[6,6]C[4,6,6]HH)(C[6a]C[6a]H){1|C<3>,1|N<2>,2|C<4>,3|H<1>}	C[6,6](C[6,6,6a]C[6,6,6a]C[6a])(C[4,6,6]C[4,6]2H)(H)2{2|C<3>,3|C<4>,3|H<1>}	C[6a](C[6,6,6a]C[6,6,6a]C[6,6])(C[6a]N[6a]C)(H){1|C<3>,2|C<4>,2|H<1>}	124.8020	0.000	1	124.8020	0.000	1	124.0984	0.497	12	124.0984	0.497	12	124.0984	0.497	12	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[3x6]	C[6a,6a]	4:3:3:	3:3:3:2:	3:3:3:	C[3x6]-4:C[6a,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6,6,6a]-3:O[6,6]-2:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a](C[3x6]C[6,6,6a]C[6,6a]O[6,6])(C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]N[6])	C[3x6](C[6,6a]C[6a,6a]C[6,6a])2(C[6,6,6a]C[6,6a]2)(O[6,6]C[6,6])	C[6a,6a](C[6,6a]C[6,6a]C[3x6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6,6a](C[3x6]C[6,6,6a]C[6,6a]O[6,6])(C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]N[6]){2|C<4>,2|H<1>,7|C<3>}	C[3x6](C[6,6a]C[6a,6a]C[6,6a])2(C[6,6,6a]C[6,6a]2)(O[6,6]C[6,6]){1|C<4>,1|N<3>,2|O<2>,8|C<3>}	C[6a,6a](C[6,6a]C[6,6a]C[3x6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,1|O<2>,3|H<1>,4|C<3>}	121.9160	0.000	1	121.9160	0.000	1	121.9235	0.000	2	121.9235	0.000	2	121.9235	0.000	2	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[3x6]	C[6a,6a]	4:3:3:	3:3:3:2:	3:3:3:	C[3x6]-4:C[6a,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6,6,6a]-3:O[6,6]-2:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a](C[3x6]C[6,6,6a]C[6,6a]O[6,6])(C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])	C[3x6](C[6,6a]C[6a,6a]C[6,6a])2(C[6,6,6a]C[6,6a]2)(O[6,6]C[6,6])	C[6a,6a](C[6,6a]C[6,6a]C[3x6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6,6a](C[3x6]C[6,6,6a]C[6,6a]O[6,6])(C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6]){1|C<4>,2|H<1>,7|C<3>}	C[3x6](C[6,6a]C[6a,6a]C[6,6a])2(C[6,6,6a]C[6,6a]2)(O[6,6]C[6,6]){1|C<4>,1|N<3>,2|O<2>,8|C<3>}	C[6a,6a](C[6,6a]C[6,6a]C[3x6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){2|O<2>,3|H<1>,4|C<3>}	121.9310	0.000	1	121.9310	0.000	1	121.9235	0.000	2	121.9235	0.000	2	121.9235	0.000	2	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[3x6]	C[6a]	3:4:3:	3:3:4:2:	3:3:2:	C[6,6a,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[3x6]-4:O[6]-2:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[3x6]C[6,6a]C[3x6]O[6])(C[6a]C[6a]O)	C[3x6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[3x6]C[6]O[6]2)(O[6]C[6])	C[6a](C[6,6a]C[6,6a,6a]C[3x6])(C[6a]C[6a]H)(OH)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[3x6]C[6,6a]C[3x6]O[6])(C[6a]C[6a]O){1|C<4>,1|H<1>,2|O<2>,6|C<3>}	C[3x6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[3x6]C[6]O[6]2)(O[6]C[6]){1|C<4>,1|O<2>,4|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a,6a]C[3x6])(C[6a]C[6a]H)(OH){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	123.4530	0.000	1	123.4530	0.000	1	123.4530	0.000	1	123.4530	0.000	1	121.5284	2.373	68	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[3x6]	C[6a]	3:4:3:	3:4:2:2:	3:3:1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6a]-3:C[3x6]-4:O[6]-2:O[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6,6a]C[6,6,6a]C[6,6a])(C[3x6]C[3x6]O[6]2)(C[6a]C[6a]H)	C[3x6](C[6,6a]C[6,6,6a]C[6a])(C[3x6]C[6,6a]O[6]2)(O[6]C[6])2	C[6a](C[6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]2)(H)	C[6,6a](C[6,6,6a]C[6,6,6a]C[6,6a])(C[3x6]C[3x6]O[6]2)(C[6a]C[6a]H){2|O<2>,3|C<4>,4|C<3>}	C[3x6](C[6,6a]C[6,6,6a]C[6a])(C[3x6]C[6,6a]O[6]2)(O[6]C[6])2{2|C<4>,4|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]2)(H){1|C<4>,1|H<1>,2|O<2>,4|C<3>}	119.3765	0.255	4	119.3765	0.065	4	119.3765	0.065	4	119.6683	0.339	6	121.5284	2.373	68	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[3x6]	C[6a]	3:4:3:	3:4:2:2:	3:3:1:	C[6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6a]-3:C[3x6]-4:O[6]-2:O[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[3x6]C[3x6]O[6]2)(C[6a]C[6a]H)	C[3x6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6a]O[6]2)(O[6]C[6])2	C[6a](C[6,6a]C[6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[3x6]C[3x6]O[6]2)(C[6a]C[6a]H){2|C<4>,2|H<1>,2|O<2>,3|C<3>}	C[3x6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6a]O[6]2)(O[6]C[6])2{2|C<4>,4|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[3x6])(C[6a]C[6a]H)(H){1|C<4>,2|O<2>,3|C<3>}	120.2520	0.692	2	120.2520	0.478	2	120.2520	0.478	2	119.6683	0.339	6	121.5284	2.373	68	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[3x6]	C[6a]	3:4:3:	3:4:4:2:	3:3:1:	C[6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6a]-3:C[3x6]-4:C[3x6]-4:O[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[3x6]C[3x6]2O[6])(C[6a]C[6a]H)	C[3x6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]2H)2(O[6]C[6,6a])	C[6a](C[6,6a]C[6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[3x6]C[3x6]2O[6])(C[6a]C[6a]H){3|C<3>,4|C<4>,4|H<1>}	C[3x6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]2H)2(O[6]C[6,6a]){2|C<4>,4|C<3>,9|H<1>}	C[6a](C[6,6a]C[6,6a]C[3x6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	125.3720	0.000	1	125.3720	0.000	1	125.3720	0.000	1	125.3720	0.000	1	121.5284	2.373	68	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[3x6]	C[6a]	3:4:3:	4:3:2:1:	3:3:1:	C[5,6,6a]-3:C[3x6]-4:C[6a]-3:	C[4x6]-4:C[6,6a]-3:O[6,6]-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[3x6]C[4x6]O[6,6]H)(C[6a]C[6a]H)	C[3x6](C[4x6]C[5,6,6]C[6,6]C[6])(C[6,6a]C[5,6,6a]C[6a])(O[6,6]C[3x6])(H)	C[6a](C[6,6a]C[5,6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[3x6]C[4x6]O[6,6]H)(C[6a]C[6a]H){2|C<3>,2|H<1>,5|C<4>}	C[3x6](C[4x6]C[5,6,6]C[6,6]C[6])(C[6,6a]C[5,6,6a]C[6a])(O[6,6]C[3x6])(H){1|O<1>,2|C<3>,2|O<2>,3|C<4>,4|H<1>}	C[6a](C[6,6a]C[5,6,6a]C[3x6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	123.5300	0.000	1	123.5300	0.000	1	123.5300	0.000	1	123.5300	0.000	1	121.5284	2.373	68	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[3x6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[3x6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[3x6]-3:N[6,6]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[3x6]N[3x6]N[6,6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[3x6](C[6,6a]C[6,6a]C[6a])(N[3x6]C[6,6a]C[6,6])(N[6,6]C[6,6a]C[6])(H)	C[6a](C[6,6a]C[6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6a](C[3x6]N[3x6]N[6,6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	C[3x6](C[6,6a]C[6,6a]C[6a])(N[3x6]C[6,6a]C[6,6])(N[6,6]C[6,6a]C[6])(H){2|N<3>,3|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]C[3x6])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|N<3>}	119.5895	0.161	2	119.5895	0.026	2	119.5895	0.026	2	119.5895	0.026	2	121.5284	2.373	68	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[3x6]	C[6a]	4:3:3:	3:3:3:4:	3:3:1:	C[3x6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6,6a]-3:C[3x6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[3x6]C[6,6a]2C[3x6])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6a]C[6,6a]C[6a])3(C[3x6]C[6,6a]3)	C[6a](C[6,6a]C[6,6a]C[3x6])(C[6a]C[6a]Br)(H)	C[6,6a](C[3x6]C[6,6a]2C[3x6])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H){1|Br<1>,1|H<1>,9|C<3>}	C[3x6](C[6,6a]C[6,6a]C[6a])3(C[3x6]C[6,6a]3){12|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[3x6])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,4|C<3>}	122.0141	1.133	11	122.0141	1.283	11	122.0141	1.283	11	122.0141	1.283	11	121.5284	2.373	68	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[3x6]	C[6a]	4:3:3:	3:3:3:5:	3:3:1:	C[3x6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6,6a]-3:P[3x6]-5:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[3x6]C[6,6a]2P[3x6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[3x6](C[6,6a]C[6,6a]C[6a])3(P[3x6]O[6]3H)	C[6a](C[6,6a]C[6,6a]C[3x6])(C[6a]C[6a]C)(H)	C[6,6a](C[3x6]C[6,6a]2P[3x6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,3|O<2>,4|H<1>,5|C<3>}	C[3x6](C[6,6a]C[6,6a]C[6a])3(P[3x6]O[6]3H){3|C<4>,3|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]C[3x6])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|P<5>,3|C<3>}	122.6717	0.637	3	122.6717	0.406	3	122.6717	0.406	3	122.6717	0.406	3	121.5284	2.373	68	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[3x6]	C[6a]	4:3:3:	3:3:4:2:	3:3:1:	C[3x6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[3x6]-4:O[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[3x6]C[6,6a]C[3x6]O[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[3x6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[3x6]C[6]O[6]2)(O[6]C[6])	C[6a](C[6,6a]C[6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6a](C[3x6]C[6,6a]C[3x6]O[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,2|O<2>,3|H<1>,4|C<3>}	C[3x6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[3x6]C[6]O[6]2)(O[6]C[6]){1|C<4>,1|O<2>,4|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]C[3x6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	121.4930	0.000	1	121.4930	0.000	1	121.4930	0.000	1	121.4930	0.000	1	121.5284	2.373	68	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[3x6]	C[6a]	4:3:3:	3:3:4:3:	3:3:2:	C[3x6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[3x6]-3:C[6]-4:C[6]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[3x6]C[3x6]C[6]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	C[3x6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[3x6])(C[6a]C[6a]O)(OH)	C[6,6a](C[3x6]C[3x6]C[6]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|O<2>,2|C<4>,3|C<3>,6|H<1>}	C[3x6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,1|N<3>,2|O<2>,3|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[3x6])(C[6a]C[6a]O)(OH){1|H<1>,2|C<4>,3|C<3>}	122.5830	0.000	1	122.5830	0.000	1	122.5830	0.000	1	122.5830	0.000	1	121.5284	2.373	68	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[3x6]	C[6a]	4:3:3:	3:4:2:2:	3:3:1:	C[3x6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[3x6]-4:O[6]-2:O[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[3x6]C[3x6]O[6]2)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[3x6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]C[6]H)(O[6]C[6,6a])2	C[6a](C[6,6a]C[6,6a]C[3x6])(C[6a]C[6a]C)(H)	C[6,6a](C[3x6]C[3x6]O[6]2)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|H<1>,3|C<3>,3|C<4>}	C[3x6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]C[6]H)(O[6]C[6,6a])2{2|O<2>,3|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]C[3x6])(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|H<1>,3|O<2>}	122.1400	0.000	1	122.1400	0.000	1	122.1400	0.000	1	122.1400	0.000	1	121.5284	2.373	68	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[3x6]	C[6a]	4:3:3:	3:4:2:4:	3:3:1:	C[3x6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:O[6,6]-2:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[3x6]C[6,6]O[6,6]C[6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[3x6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]O)(O[6,6]C[6,6])(C[6]C[6]HH)	C[6a](C[6,6a]C[6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6a](C[3x6]C[6,6]O[6,6]C[6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|O<2>,2|C<4>,3|C<3>,5|H<1>}	C[3x6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]O)(O[6,6]C[6,6])(C[6]C[6]HH){1|C<4>,1|N<3>,4|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[3x6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	122.1070	0.000	1	122.1070	0.000	1	122.1070	0.000	1	122.1070	0.000	1	121.5284	2.373	68	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[3x6]	C[6a]	4:3:3:	3:4:3:3:	3:3:1:	C[3x6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:N[6,6]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[3x6]C[6,6]N[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[3x6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(N[6,6]C[6]2)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[3x6])(C[6a]C[6a]O)(H)	C[6,6a](C[3x6]C[6,6]N[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<4>,2|O<2>,3|C<3>,5|H<1>}	C[3x6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(N[6,6]C[6]2)(C[6]C[6]H){1|O<1>,2|C<4>,4|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[3x6])(C[6a]C[6a]O)(H){1|N<3>,1|O<2>,2|C<3>,2|C<4>}	123.8290	0.000	1	123.8290	0.000	1	123.8290	0.000	1	123.8290	0.000	1	121.5284	2.373	68	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[3x6]	C[6a]	4:3:3:	3:4:3:3:	3:3:4:	C[3x6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[3x6]-4:C[6]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a](C[3x6]C[3x6]C[6]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]C)	C[3x6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]C[6]H)(C[6]C[6]O)(C[6]O[6]O)	C[6a](C[6,6a]C[6,6a]C[3x6])(C[6a]C[6a]O)(CH3)	C[6,6a](C[3x6]C[3x6]C[6]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]C){1|H<1>,2|C<3>,2|C<4>,3|O<1>,3|O<2>}	C[3x6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]C[6]H)(C[6]C[6]O)(C[6]O[6]O){1|I<1>,2|C<4>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[3x6])(C[6a]C[6a]O)(CH3){2|C<4>,4|C<3>}	121.5550	0.000	1	121.5550	0.000	1	121.5550	0.000	1	121.5550	0.000	1	121.5284	2.373	68	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[3x6]	C[6a]	4:3:3:	3:4:3:4:	3:3:1:	C[3x6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6,6]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[3x6]C[6,6]2C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[3x6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6,6]C[6]N[6])(C[6]C[6,6a]HH)	C[6a](C[6,6a]C[6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6a](C[3x6]C[6,6]2C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<2>,1|N<3>,3|C<3>,7|H<1>}	C[3x6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6,6]C[6]N[6])(C[6]C[6,6a]HH){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[3x6])(C[6a]C[6a]H)(H){2|C<4>,4|C<3>}	120.8100	0.000	1	120.8100	0.000	1	121.7075	1.611	2	121.7075	1.611	2	121.5284	2.373	68	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[3x6]	C[6a]	4:3:3:	3:4:3:4:	3:3:1:	C[3x6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6,6]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[3x6]C[6,6]2C[6])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[3x6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6,6]C[6]2)(C[6]C[6]HH)	C[6a](C[6,6a]C[6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6a](C[3x6]C[6,6]2C[6])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|O<2>,2|C<4>,3|C<3>,5|H<1>}	C[3x6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6,6]C[6]2)(C[6]C[6]HH){1|N<3>,2|O<2>,3|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[3x6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	122.6050	0.000	1	122.6050	0.000	1	121.7075	1.611	2	121.7075	1.611	2	121.5284	2.373	68	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[3x6]	C[6a]	4:3:3:	3:4:4:3:	3:3:1:	C[3x6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6,6]-4:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[3x6]C[6,6]2C[6])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[3x6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)2(C[6]O[6]O)	C[6a](C[6,6a]C[6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6a](C[3x6]C[6,6]2C[6])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[3x6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)2(C[6]O[6]O){1|C<4>,1|O<1>,1|O<2>,3|C<3>,6|H<1>}	C[6a](C[6,6a]C[6,6a]C[3x6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	125.2740	0.000	2	125.2740	0.000	2	125.2740	0.000	2	125.2740	0.000	2	121.5284	2.373	68	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[3x6]	C[6a]	4:3:3:	3:4:4:3:	3:3:2:	C[3x6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[3x6]-4:C[6]-4:C[6]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[3x6]C[3x6]C[6]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	C[3x6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[3x6])(C[6a]C[6a]O)(OH)	C[6,6a](C[3x6]C[3x6]C[6]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|O<2>,2|C<3>,3|C<4>,7|H<1>}	C[3x6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,1|N<4>,2|O<2>,3|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[3x6])(C[6a]C[6a]O)(OH){1|H<1>,2|C<3>,3|C<4>}	120.6340	0.000	1	120.6340	0.000	1	120.6340	0.000	1	120.6340	0.000	1	121.5284	2.373	68	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[3x6]	C[6a]	4:3:3:	3:4:4:4:	3:3:1:	C[3x6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[3x6]-4:C[6]-4:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[3x6]C[3x6]C[6]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[3x6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]C[6]H)(C[6]C[6]HH)2	C[6a](C[6,6a]C[6,6a]C[3x6])(C[6a]C[6a]O)(H)	C[6,6a](C[3x6]C[3x6]C[6]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|O<2>,4|C<4>,8|H<1>}	C[3x6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]C[6]H)(C[6]C[6]HH)2{1|N<3>,2|C<3>,2|C<4>,8|H<1>}	C[6a](C[6,6a]C[6,6a]C[3x6])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,4|C<4>}	119.9440	0.000	1	120.1440	0.056	3	120.1440	0.056	3	120.4930	0.524	4	121.5284	2.373	68	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[3x6]	C[6a]	4:3:3:	3:4:4:4:	3:3:1:	C[3x6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[3x6]-4:C[6]-4:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[3x6]C[3x6]C[6]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[3x6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]C[6]H)(C[6]C[6]HH)2	C[6a](C[6,6a]C[6,6a]C[3x6])(C[6a]C[6a]O)(H)	C[6,6a](C[3x6]C[3x6]C[6]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|O<2>,4|C<4>,8|H<1>}	C[3x6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]C[6]H)(C[6]C[6]HH)2{1|N<4>,2|C<3>,2|C<4>,8|H<1>}	C[6a](C[6,6a]C[6,6a]C[3x6])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,4|C<4>}	120.2440	0.228	2	120.1440	0.056	3	120.1440	0.056	3	120.4930	0.524	4	121.5284	2.373	68	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[3x6]	C[6a]	4:3:3:	3:4:4:4:	3:3:1:	C[3x6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[3x6]-4:C[6]-4:N[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[3x6]C[3x6]C[6]N[6])(C[6,6a]N[6a]C[6])(C[6a]C[6a]H)	C[3x6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]C[6]O)(C[6]C[6]HH)(N[6]C[6]HH)	C[6a](C[6,6a]C[6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6a](C[3x6]C[3x6]C[6]N[6])(C[6,6a]N[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|O<2>,4|C<4>,7|H<1>}	C[3x6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]C[6]O)(C[6]C[6]HH)(N[6]C[6]HH){1|C<3>,1|N<2>,4|C<4>,7|H<1>}	C[6a](C[6,6a]C[6,6a]C[3x6])(C[6a]C[6a]H)(H){1|N<2>,1|N<4>,1|O<2>,3|C<4>}	121.5400	0.000	1	121.5400	0.000	1	121.5400	0.000	1	120.4930	0.524	4	121.5284	2.373	68	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[3x6]	C[6a]	4:3:3:	3:4:4:4:	3:3:2:	C[3x6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[3x6]-4:C[6]-4:C[6]-4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[3x6]C[3x6]C[6]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	C[3x6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]C[6]H)(C[6]C[6]HH)2	C[6a](C[6,6a]C[6,6a]C[3x6])(C[6a]C[6a]O)(OC)	C[6,6a](C[3x6]C[3x6]C[6]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|O<2>,2|C<3>,3|C<4>,8|H<1>}	C[3x6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]C[6]H)(C[6]C[6]HH)2{1|C<4>,1|N<3>,2|O<2>,3|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[3x6])(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,4|C<4>}	121.1780	0.000	1	121.6268	1.780	4	121.8707	0.886	12	121.8707	0.886	12	121.5284	2.373	68	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[3x6]	C[6a]	4:3:3:	3:4:4:4:	3:3:2:	C[3x6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[3x6]-4:C[6]-4:C[6]-4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[3x6]C[3x6]C[6]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	C[3x6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]C[6]H)(C[6]C[6]HH)2	C[6a](C[6,6a]C[6,6a]C[3x6])(C[6a]C[6a]O)(OC)	C[6,6a](C[3x6]C[3x6]C[6]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|O<2>,2|C<4>,3|C<3>,8|H<1>}	C[3x6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]C[6]H)(C[6]C[6]HH)2{1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[3x6])(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,4|C<4>}	121.7763	1.592	3	121.6268	1.780	4	121.8707	0.886	12	121.8707	0.886	12	121.5284	2.373	68	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[3x6]	C[6a]	4:3:3:	3:4:4:4:	3:3:2:	C[3x6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[3x6]-4:C[6]-4:C[6]-4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[3x6]C[3x6]C[6]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	C[3x6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]C[6]H)(C[6]C[6]HH)2	C[6a](C[6,6a]C[6,6a]C[3x6])(C[6a]C[6a]O)(OH)	C[6,6a](C[3x6]C[3x6]C[6]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|O<2>,2|C<4>,3|C<3>,8|H<1>}	C[3x6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]C[6]H)(C[6]C[6]HH)2{1|C<4>,1|N<4>,1|O<1>,1|O<2>,3|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[3x6])(C[6a]C[6a]O)(OH){1|C<3>,1|H<1>,4|C<4>}	121.3720	0.000	1	121.9118	0.231	6	121.8707	0.886	12	121.8707	0.886	12	121.5284	2.373	68	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[3x6]	C[6a]	4:3:3:	3:4:4:4:	3:3:2:	C[3x6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[3x6]-4:C[6]-4:C[6]-4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[3x6]C[3x6]C[6]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	C[3x6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]C[6]H)(C[6]C[6]HH)2	C[6a](C[6,6a]C[6,6a]C[3x6])(C[6a]C[6a]O)(OH)	C[6,6a](C[3x6]C[3x6]C[6]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|O<2>,2|C<4>,4|C<3>,7|H<1>}	C[3x6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]C[6]H)(C[6]C[6]HH)2{1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[3x6])(C[6a]C[6a]O)(OH){1|C<3>,1|H<1>,4|C<4>}	122.0198	0.448	5	121.9118	0.231	6	121.8707	0.886	12	121.8707	0.886	12	121.5284	2.373	68	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[3x6]	C[6a]	4:3:3:	3:4:4:4:	3:3:2:	C[3x6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[3x6]-4:C[6]-4:C[6]-4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[3x6]C[3x6]C[6]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	C[3x6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]C[6]O)(C[6]C[5,6]HH)(C[6]C[6]HH)	C[6a](C[6,6a]C[6,6a]C[3x6])(C[6a]C[6a]O)(OC)	C[6,6a](C[3x6]C[3x6]C[6]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|C<3>,2|O<2>,4|C<4>,7|H<1>}	C[3x6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]C[6]O)(C[6]C[5,6]HH)(C[6]C[6]HH){1|N<3>,2|C<3>,2|C<4>,3|O<2>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[3x6])(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,4|C<4>}	121.0650	0.000	1	121.0650	0.000	1	121.8707	0.886	12	121.8707	0.886	12	121.5284	2.373	68	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[3x6]	C[6a]	4:3:3:	3:4:4:4:	3:3:2:	C[3x6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[3x6]-4:C[6]-4:C[6]-4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[3x6]C[3x6]C[6]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	C[3x6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]C[6]O)(C[6]C[6]HH)2	C[6a](C[6,6a]C[6,6a]C[3x6])(C[6a]C[6a]O)(OC)	C[6,6a](C[3x6]C[3x6]C[6]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){2|C<3>,2|O<2>,3|C<4>,7|H<1>}	C[3x6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]C[6]O)(C[6]C[6]HH)2{1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[3x6])(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,4|C<4>}	123.4050	0.000	1	123.4050	0.000	1	121.8707	0.886	12	121.8707	0.886	12	121.5284	2.373	68	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[3x6]	C[6a]	4:3:3:	4:3:3:4:	3:3:1:	C[3x6]-4:C[6,6a]-3:C[6a]-3:	C[3x6]-4:C[6,6a]-3:C[6,6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[3x6]C[6,6,6a]C[3x6]C[6])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)	C[3x6](C[3x6]C[6,6,6a]C[6,6a]C[6])(C[6,6a]C[6,6a]C[6a])(C[6,6,6a]C[6,6a]2)(C[6]C[6]HH)	C[6a](C[6,6a]C[6,6a]C[3x6])(C[6a]C[6a]C)(H)	C[6,6a](C[3x6]C[6,6,6a]C[3x6]C[6])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H){3|C<4>,3|H<1>,6|C<3>}	C[3x6](C[3x6]C[6,6,6a]C[6,6a]C[6])(C[6,6a]C[6,6a]C[6a])(C[6,6,6a]C[6,6a]2)(C[6]C[6]HH){2|C<4>,5|H<1>,8|C<3>}	C[6a](C[6,6a]C[6,6a]C[3x6])(C[6a]C[6a]C)(H){1|H<1>,2|C<4>,3|C<3>}	121.5735	0.299	2	121.5735	0.089	2	121.5350	0.548	9	121.5350	0.548	9	121.5284	2.373	68	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[3x6]	C[6a]	4:3:3:	4:3:3:4:	3:3:1:	C[3x6]-4:C[6,6a]-3:C[6a]-3:	C[3x6]-4:C[6,6a]-3:C[6,6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[3x6]C[6,6,6a]C[3x6]C[6])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)	C[3x6](C[3x6]C[6,6,6a]C[6,6a]C[6])(C[6,6a]C[6,6a]C[6a])(C[6,6,6a]C[6,6a]2)(C[6]C[6]HH)	C[6a](C[6,6a]C[6,6a]C[3x6])(C[6a]C[6a]Cl)(H)	C[6,6a](C[3x6]C[6,6,6a]C[3x6]C[6])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H){1|Cl<1>,2|C<4>,3|H<1>,6|C<3>}	C[3x6](C[3x6]C[6,6,6a]C[6,6a]C[6])(C[6,6a]C[6,6a]C[6a])(C[6,6,6a]C[6,6a]2)(C[6]C[6]HH){2|C<4>,5|H<1>,8|C<3>}	C[6a](C[6,6a]C[6,6a]C[3x6])(C[6a]C[6a]Cl)(H){1|H<1>,2|C<4>,3|C<3>}	121.1215	0.336	2	121.1215	0.113	2	121.5350	0.548	9	121.5350	0.548	9	121.5284	2.373	68	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[3x6]	C[6a]	4:3:3:	4:3:3:4:	3:3:1:	C[3x6]-4:C[6,6a]-3:C[6a]-3:	C[3x6]-4:C[6,6a]-3:C[6,6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[3x6]C[6,6,6a]C[3x6]C[6])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)	C[3x6](C[3x6]C[6,6,6a]C[6,6a]C[6])(C[6,6a]C[6,6a]C[6a])(C[6,6,6a]C[6,6a]2)(C[6]C[6]HH)	C[6a](C[6,6a]C[6,6a]C[3x6])(C[6a]C[6a]F)(H)	C[6,6a](C[3x6]C[6,6,6a]C[3x6]C[6])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H){1|F<1>,2|C<4>,3|H<1>,6|C<3>}	C[3x6](C[3x6]C[6,6,6a]C[6,6a]C[6])(C[6,6a]C[6,6a]C[6a])(C[6,6,6a]C[6,6a]2)(C[6]C[6]HH){2|C<4>,5|H<1>,8|C<3>}	C[6a](C[6,6a]C[6,6a]C[3x6])(C[6a]C[6a]F)(H){1|H<1>,2|C<4>,3|C<3>}	121.7325	0.062	2	121.7325	0.004	2	121.5350	0.548	9	121.5350	0.548	9	121.5284	2.373	68	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[3x6]	C[6a]	4:3:3:	4:3:3:4:	3:3:1:	C[3x6]-4:C[6,6a]-3:C[6a]-3:	C[3x6]-4:C[6,6a]-3:C[6,6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[3x6]C[6,6,6a]C[3x6]C[6])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)	C[3x6](C[3x6]C[6,6,6a]C[6,6a]C[6])(C[6,6a]C[6,6a]C[6a])(C[6,6,6a]C[6,6a]2)(C[6]C[6]HH)	C[6a](C[6,6a]C[6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6a](C[3x6]C[6,6,6a]C[3x6]C[6])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H){2|C<4>,4|H<1>,6|C<3>}	C[3x6](C[3x6]C[6,6,6a]C[6,6a]C[6])(C[6,6a]C[6,6a]C[6a])(C[6,6,6a]C[6,6a]2)(C[6]C[6]HH){2|C<4>,5|H<1>,8|C<3>}	C[6a](C[6,6a]C[6,6a]C[3x6])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	122.3835	0.715	2	122.3835	0.511	2	121.5350	0.548	9	121.5350	0.548	9	121.5284	2.373	68	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[3x6]	C[6a]	4:3:3:	4:3:3:4:	3:3:1:	C[3x6]-4:C[6,6a]-3:C[6a]-3:	C[3x6]-4:C[6,6a]-3:C[6,6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[3x6]C[6,6,6a]C[3x6]C[6])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)	C[3x6](C[3x6]C[6,6,6a]C[6,6a]C[6])(C[6,6a]C[6,6a]C[6a])(C[6,6,6a]C[6,6a]2)(C[6]C[6]HH)	C[6a](C[6,6a]C[6,6a]C[3x6])(C[6a]C[6a]N)(H)	C[6,6a](C[3x6]C[6,6,6a]C[3x6]C[6])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H){1|N<3>,2|C<4>,3|H<1>,6|C<3>}	C[3x6](C[3x6]C[6,6,6a]C[6,6a]C[6])(C[6,6a]C[6,6a]C[6a])(C[6,6,6a]C[6,6a]2)(C[6]C[6]HH){2|C<4>,5|H<1>,8|C<3>}	C[6a](C[6,6a]C[6,6a]C[3x6])(C[6a]C[6a]N)(H){1|H<1>,2|C<4>,3|C<3>}	120.1930	0.000	1	120.1930	0.000	1	121.5350	0.548	9	121.5350	0.548	9	121.5284	2.373	68	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[3x6]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[3x6]-4:C[6,6a]-3:C[6a]-3:	C[4x6]-4:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[3x6]C[4x6]C[6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[3x6](C[4x6]C[3x6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]HH)(H)	C[6a](C[6,6a]C[6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6a](C[3x6]C[4x6]C[6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	C[3x6](C[4x6]C[3x6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]HH)(H){1|N<2>,2|C<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[3x6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	119.2315	0.235	2	119.0477	0.129	3	119.0477	0.129	3	119.0477	0.129	3	121.5284	2.373	68	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[3x6]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[3x6]-4:C[6,6a]-3:C[6a]-3:	C[4x6]-4:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[3x6]C[4x6]C[6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[3x6](C[4x6]C[3x6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]HH)(H)	C[6a](C[6,6a]C[6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6a](C[3x6]C[4x6]C[6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,3|C<4>,5|H<1>}	C[3x6](C[4x6]C[3x6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]HH)(H){1|N<2>,2|C<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[3x6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	118.6800	0.000	1	119.0477	0.129	3	119.0477	0.129	3	119.0477	0.129	3	121.5284	2.373	68	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[3x6]	C[6a]	4:3:3:	4:3:4:4:	3:2:1:	C[3x6]-4:C[6,6a]-3:C[6a]-3:	C[4x6]-4:C[6,6a]-3:C[6,6]-4:C-4:	C[6,6a]-3:O[6a]-2:O-1:	C[6,6a](C[3x6]C[4x6]C[6,6]C)(C[6,6a]C[6a,6a]O[6])(C[6a]O[6a]O)	C[3x6](C[4x6]C[6,6,6a]C[3x6]H)(C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]HH)(CH3)	C[6a](C[6,6a]C[6,6a]C[3x6])(O[6a]C[6a,6a])(O)	C[6,6a](C[3x6]C[4x6]C[6,6]C)(C[6,6a]C[6a,6a]O[6])(C[6a]O[6a]O){2|C<4>,3|C<3>,3|H<1>}	C[3x6](C[4x6]C[6,6,6a]C[3x6]H)(C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]HH)(CH3){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|O<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[3x6])(O[6a]C[6a,6a])(O){1|O<2>,2|C<3>,3|C<4>}	119.7000	0.000	1	119.6800	0.001	2	119.6800	0.001	2	119.6800	0.001	2	121.5284	2.373	68	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[3x6]	C[6a]	4:3:3:	4:3:4:4:	3:2:1:	C[3x6]-4:C[6,6a]-3:C[6a]-3:	C[4x6]-4:C[6,6a]-3:C[6,6]-4:C-4:	C[6,6a]-3:O[6a]-2:O-1:	C[6,6a](C[3x6]C[4x6]C[6,6]C)(C[6,6a]C[6a,6a]O[6])(C[6a]O[6a]O)	C[3x6](C[4x6]C[6,6,6a]C[3x6]H)(C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]HH)(CH3)	C[6a](C[6,6a]C[6,6a]C[3x6])(O[6a]C[6a,6a])(O)	C[6,6a](C[3x6]C[4x6]C[6,6]C)(C[6,6a]C[6a,6a]O[6])(C[6a]O[6a]O){2|C<4>,3|C<3>,3|H<1>}	C[3x6](C[4x6]C[6,6,6a]C[3x6]H)(C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]HH)(CH3){1|N<3>,1|O<1>,2|H<1>,2|O<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[3x6])(O[6a]C[6a,6a])(O){1|O<2>,2|C<3>,3|C<4>}	119.6600	0.000	1	119.6800	0.001	2	119.6800	0.001	2	119.6800	0.001	2	121.5284	2.373	68	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[3x6]	C[6a]	4:3:3:	4:4:3:2:	3:3:1:	C[3x6]-4:C[6,6a]-3:C[6a]-3:	C[3x6]-4:C[4x6]-4:C[6,6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[3x6]C[3x6]C[4x6]O)(C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)	C[3x6](C[3x6]C[6,6,6a]O[6,6]H)(C[4x6]C[4x6]O[6,6]C)(C[6,6a]C[6,6a]C[6a])(OC)	C[6a](C[6,6a]C[6,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6,6a](C[3x6]C[3x6]C[4x6]O)(C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H){2|C<3>,2|O<2>,3|C<4>,4|H<1>}	C[3x6](C[3x6]C[6,6,6a]O[6,6]H)(C[4x6]C[4x6]O[6,6]C)(C[6,6a]C[6,6a]C[6a])(OC){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[3x6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	120.5880	0.089	2	120.5880	0.008	2	120.5880	0.008	2	120.5880	0.008	2	121.5284	2.373	68	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[4x6]	C[6a]	4:3:3:	3:3:3:2:	3:3:1:	C[4x6]-4:C[6,6a]-3:C[6a]-3:	C[3x6,6a]-3:C[6,6]-3:C[6,6a]-3:O[6,6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[4x6]C[3x6,6a]C[6,6]O[6,6])(C[6,6a]C[6a]Si[6])(C[6a]C[6a]H)	C[4x6](C[3x6,6a]C[6,6,6a]C[6,6a])(C[6,6]C[5,6,6]C[6a])(C[6,6a]C[6,6a]C[6a])(O[6,6]O[6,6])	C[6a](C[6,6a]C[6,6a]C[4x6])(C[6a]C[6a]H)(H)	C[6,6a](C[4x6]C[3x6,6a]C[6,6]O[6,6])(C[6,6a]C[6a]Si[6])(C[6a]C[6a]H){1|O<2>,2|C<4>,2|H<1>,5|C<3>}	C[4x6](C[3x6,6a]C[6,6,6a]C[6,6a])(C[6,6]C[5,6,6]C[6a])(C[6,6a]C[6,6a]C[6a])(O[6,6]O[6,6]){2|Si<4>,1|C<4>,1|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]C[4x6])(C[6a]C[6a]H)(H){1|Si<4>,1|H<1>,1|O<2>,3|C<3>}	116.2110	0.000	1	116.2110	0.000	1	116.2110	0.000	1	116.2110	0.000	1	120.3910	5.402	11	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[4x6]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[4x6]-4:C[6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6]-3:C[6,6a]-3:C[5x6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[4x6]C[6,6,6a]C[5x6]C[6,6])(C[6,6a]C[6a]Si[6])(C[6a]C[6a]H)	C[4x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[5,6,6]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5x6]C[3x6]C[5x6])	C[6a](C[6,6a]C[6,6a]C[4x6])(C[6a]C[6a]H)(H)	C[6,6a](C[4x6]C[6,6,6a]C[5x6]C[6,6])(C[6,6a]C[6a]Si[6])(C[6a]C[6a]H){2|H<1>,3|C<4>,6|C<3>}	C[4x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[5,6,6]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5x6]C[3x6]C[5x6]){2|Si<4>,2|C<4>,2|H<1>,8|C<3>}	C[6a](C[6,6a]C[6,6a]C[4x6])(C[6a]C[6a]H)(H){1|Si<4>,1|H<1>,4|C<3>}	117.2050	0.000	1	117.2050	0.000	1	117.2050	0.000	1	119.7263	4.775	3	120.3910	5.402	11	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[4x6]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[4x6]-4:C[6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6a]-3:C[4x6]-3:C[6,6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[4x6]C[6,6,6a]C[4x6]C[6,6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[4x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[4x6]C[3x6]C[6,6])(C[6,6]C[6,6]H)	C[6a](C[6,6a]C[6,6a]C[4x6])(C[6a]C[6a]C)(H)	C[6,6a](C[4x6]C[6,6,6a]C[4x6]C[6,6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,6|C<3>}	C[4x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[4x6]C[3x6]C[6,6])(C[6,6]C[6,6]H){1|C<4>,1|N<2>,3|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]C[4x6])(C[6a]C[6a]C)(H){1|H<1>,1|N<2>,4|C<3>}	120.9870	0.116	2	120.9870	0.013	2	120.9870	0.013	2	119.7263	4.775	3	120.3910	5.402	11	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[4x6]	C[6a]	4:3:3:	3:4:3:3:	3:3:1:	C[4x6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[3x6]-4:N[6,6]-3:N[6,6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[4x6]C[3x6]N[6,6]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[4x6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]C[6]H)(N[6,6]C[6,6]H)2	C[6a](C[6,6a]C[6,6a]C[4x6])(C[6a]C[6a]H)(H)	C[6,6a](C[4x6]C[3x6]N[6,6]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<4>,3|C<3>,7|H<1>}	C[4x6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]C[6]H)(N[6,6]C[6,6]H)2{2|C<4>,2|O<1>,3|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[4x6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>,2|N<3>}	118.7475	0.631	2	118.7475	0.399	2	118.7475	0.399	2	118.7475	0.399	2	120.3910	5.402	11	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[4x6]	C[6a]	4:3:3:	3:4:4:4:	3:3:1:	C[4x6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[3x6]-4:C[6,6]-4:C[6,6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[4x6]C[3x6]C[6,6]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[4x6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[3x6]N[6]C)(C[6,6]C[3x6]HH)2	C[6a](C[6,6a]C[6,6a]C[4x6])(C[6a]C[6a]H)(H)	C[6,6a](C[4x6]C[3x6]C[6,6]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|N<3>,6|C<4>,6|H<1>}	C[4x6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[3x6]N[6]C)(C[6,6]C[3x6]HH)2{1|O<1>,2|C<3>,4|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[4x6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,4|C<4>}	121.9350	0.000	1	121.9350	0.000	1	121.9350	0.000	1	121.9350	0.000	1	120.3910	5.402	11	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[4x6]	C[6a]	4:3:3:	4:3:4:4:	3:3:1:	C[4x6]-4:C[6,6a]-3:C[6a]-3:	C[4x6]-4:C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[4x6]C[4x6]C[6,6]C[6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[4x6](C[4x6]C[6,6a]C[6,6]C[6])(C[6,6a]C[6,6a]C[6a])(C[6,6]N[6]2H)(C[6]C[6]HH)	C[6a](C[6,6a]C[6,6a]C[4x6])(C[6a]C[6a]H)(H)	C[6,6a](C[4x6]C[4x6]C[6,6]C[6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){2|C<3>,2|N<3>,3|C<4>,6|H<1>}	C[4x6](C[4x6]C[6,6a]C[6,6]C[6])(C[6,6a]C[6,6a]C[6a])(C[6,6]N[6]2H)(C[6]C[6]HH){2|C<4>,2|N<3>,4|C<3>,7|H<1>}	C[6a](C[6,6a]C[6,6a]C[4x6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	122.9360	0.612	2	122.9360	0.375	2	122.9360	0.375	2	122.3702	0.607	4	120.3910	5.402	11	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[4x6]	C[6a]	4:3:3:	4:3:4:4:	3:3:1:	C[4x6]-4:C[6,6a]-3:C[6a]-3:	C[5,3x6]-4:C[6,6a]-3:C[6,6]-4:C[6,6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[4x6]C[5,3x6]C[6,6]2)(C[6,6a]C[5a,6a]C[6])(C[6a]C[6a]H)	C[4x6](C[5,3x6]C[5,6,6]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6,6]O[6,6]HH)	C[6a](C[6,6a]C[6,6a]C[4x6])(C[6a]C[5a,6a]O)(H)	C[6,6a](C[4x6]C[5,3x6]C[6,6]2)(C[6,6a]C[5a,6a]C[6])(C[6a]C[6a]H){1|C<3>,3|C<4>,3|O<2>,7|H<1>}	C[4x6](C[5,3x6]C[5,6,6]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6,6]O[6,6]HH){1|O<2>,3|C<3>,3|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[4x6])(C[6a]C[5a,6a]O)(H){2|C<3>,4|C<4>}	122.0920	0.000	1	121.8045	0.165	2	121.8045	0.165	2	122.3702	0.607	4	120.3910	5.402	11	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[4x6]	C[6a]	4:3:3:	4:3:4:4:	3:3:1:	C[4x6]-4:C[6,6a]-3:C[6a]-3:	C[5,3x6]-4:C[6,6a]-3:C[6,6]-4:C[6,6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[4x6]C[5,3x6]C[6,6]2)(C[6,6a]C[5a,6a]C[6])(C[6a]C[6a]H)	C[4x6](C[5,3x6]C[5,6,6]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6,6]O[6,6]HH)	C[6a](C[6,6a]C[6,6a]C[4x6])(C[6a]C[5a,6a]O)(H)	C[6,6a](C[4x6]C[5,3x6]C[6,6]2)(C[6,6a]C[5a,6a]C[6])(C[6a]C[6a]H){1|C<3>,3|C<4>,3|O<2>,7|H<1>}	C[4x6](C[5,3x6]C[5,6,6]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6,6]O[6,6]HH){2|O<2>,3|C<3>,3|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[4x6])(C[6a]C[5a,6a]O)(H){2|C<3>,4|C<4>}	121.5170	0.000	1	121.8045	0.165	2	121.8045	0.165	2	122.3702	0.607	4	120.3910	5.402	11	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:3:4:1:	3:3:2:	C[6,6]-4:C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]O[6])(C[6,6a]C[6a]O[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]2)(C[6,6]C[6,6]HO)(H)	C[6,6a](C[6,6a]C[6,6a]C[6,6])(C[6,6a]C[6a]C[6])(O[6]C[6])	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]O[6])(C[6,6a]C[6a]O[6]){1|O<2>,2|H<1>,3|C<3>,3|C<4>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]2)(C[6,6]C[6,6]HO)(H){4|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6,6])(C[6,6a]C[6a]C[6])(O[6]C[6]){2|C<4>,2|O<2>,3|C<3>,4|H<1>}	123.4300	0.000	1	123.4300	0.000	1	123.4300	0.000	1	123.4300	0.000	1	123.4300	0.000	1	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a,6a]	3:3:4:	3:3:4:1:	3:3:2:	C[6a,6a]-3:C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6,6]-3:C[6,6]-4:H-1:	C[6,6a]-3:C[6a,6a]-3:O[6a]-2:	C[6,6a](C[6a,6a]C[6a,6a]O[6a])(C[6,6a]C[6a]O[6])(C[6,6]C[6,6]2H)	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(H)	C[6a,6a](C[6,6a]C[6,6a]C[6,6])(C[6a,6a]C[6a]2)(O[6a]C[6a])	C[6,6a](C[6a,6a]C[6a,6a]O[6a])(C[6,6a]C[6a]O[6])(C[6,6]C[6,6]2H){2|C<4>,2|H<1>,5|C<3>}	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(H){1|O<1>,2|C<3>,2|H<1>,3|O<2>,4|C<4>}	C[6a,6a](C[6,6a]C[6,6a]C[6,6])(C[6a,6a]C[6a]2)(O[6a]C[6a]){1|C<4>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	122.1970	0.000	1	122.2985	0.021	2	122.2985	0.021	2	122.2985	0.021	2	122.2847	4.246	31	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a,6a]	3:3:4:	3:3:4:1:	3:3:2:	C[6a,6a]-3:C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6,6]-3:C[6,6]-4:H-1:	C[6,6a]-3:C[6a,6a]-3:O[6a]-2:	C[6,6a](C[6a,6a]C[6a,6a]O[6a])(C[6,6a]C[6a]O[6])(C[6,6]C[6,6]2H)	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(H)	C[6a,6a](C[6,6a]C[6,6a]C[6,6])(C[6a,6a]C[6a]2)(O[6a]C[6a])	C[6,6a](C[6a,6a]C[6a,6a]O[6a])(C[6,6a]C[6a]O[6])(C[6,6]C[6,6]2H){2|C<4>,2|H<1>,5|C<3>}	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(H){1|O<1>,2|C<3>,2|H<1>,3|O<2>,4|C<4>}	C[6a,6a](C[6,6a]C[6,6a]C[6,6])(C[6a,6a]C[6a]2)(O[6a]C[6a]){1|O<1>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	122.4000	0.000	1	122.2985	0.021	2	122.2985	0.021	2	122.2985	0.021	2	122.2847	4.246	31	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a,6a]	3:4:3:	3:3:2:1:	3:3:3:	C[6a,6a]-3:C[6,6]-4:C[6,6a]-3:	C[6,6a]-3:N[6,6]-3:O[6]-2:H-1:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6]N[6,6]O[6]H)(C[6,6a]C[6a]O[6])	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(N[6,6]C[6,6]H)(O[6]C[6,6a])(H)	C[6a,6a](C[6,6a]C[6,6a]C[6,6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6]N[6,6]O[6]H)(C[6,6a]C[6a]O[6]){1|C<4>,3|H<1>,4|C<3>}	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(N[6,6]C[6,6]H)(O[6]C[6,6a])(H){1|H<1>,1|O<2>,5|C<3>}	C[6a,6a](C[6,6a]C[6,6a]C[6,6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|O<2>,4|H<1>}	121.1665	0.264	2	121.1665	0.070	2	120.3093	2.239	3	120.3093	2.239	3	122.2847	4.246	31	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a,6a]	3:4:3:	3:3:2:1:	3:3:3:	C[6a,6a]-3:C[6,6]-4:C[6,6a]-3:	C[6,6a]-3:N[6,6]-3:O[6]-2:H-1:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6]N[6,6]O[6]H)(C[6,6a]C[6a]O[6])	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(N[6,6]P[6,6]C[6])(O[6]C[6,6a])(H)	C[6a,6a](C[6,6a]C[6,6a]C[6,6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6]N[6,6]O[6]H)(C[6,6a]C[6a]O[6]){1|C<4>,1|P<4>,2|H<1>,4|C<3>}	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(N[6,6]P[6,6]C[6])(O[6]C[6,6a])(H){1|O<2>,2|H<1>,2|N<2>,5|C<3>}	C[6a,6a](C[6,6a]C[6,6a]C[6,6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|O<2>,4|H<1>}	118.5950	0.000	1	118.5950	0.000	1	120.3093	2.239	3	120.3093	2.239	3	122.2847	4.246	31	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a,6a]	3:4:3:	3:3:3:1:	3:3:3:	C[6a,6a]-3:C[6,6]-4:C[6,6a]-3:	C[6,6a]-3:C[6,6a]-3:N[6,6]-3:H-1:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6a]O[6])	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]S[6])(H)	C[6a,6a](C[6,6a]C[6,6a]C[6,6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6a]O[6]){1|C<4>,1|S<4>,2|H<1>,5|C<3>}	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]S[6])(H){2|O<1>,2|O<2>,3|H<1>,5|C<3>}	C[6a,6a](C[6,6a]C[6,6a]C[6,6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,1|O<2>,3|C<3>,4|H<1>}	121.2940	0.000	1	121.2940	0.000	1	121.2940	0.000	1	121.2940	0.000	1	122.2847	4.246	31	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a,6a]	3:4:3:	3:3:3:2:	3:3:3:	C[6a,6a]-3:C[6,6]-4:C[6,6a]-3:	C[6,6a]-3:C[6,6,6a]-3:C[6]-3:O-2:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6]C[6,6,6a]C[6]O)(C[6,6a]C[6a]O[6])	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6,6a]C[6,6a]2)(C[6]C[3,6]O)(OC)	C[6a,6a](C[6,6a]C[6,6a]C[6,6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6]C[6,6,6a]C[6]O)(C[6,6a]C[6a]O[6]){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6,6a]C[6,6a]2)(C[6]C[3,6]O)(OC){1|C<4>,1|H<1>,2|O<2>,5|C<3>}	C[6a,6a](C[6,6a]C[6,6a]C[6,6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){2|O<2>,3|H<1>,4|C<3>}	121.6865	0.564	2	121.6865	0.318	2	121.9006	0.178	7	121.9006	0.178	7	122.2847	4.246	31	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a,6a]	3:4:3:	3:3:3:2:	3:3:3:	C[6a,6a]-3:C[6,6]-4:C[6,6a]-3:	C[6,6a]-3:C[6,6,6a]-3:C[6]-3:O-2:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6]C[6,6,6a]C[6]O)(C[6,6a]C[6a]O[6])	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6,6a]C[6,6a]2)(C[6]C[6]O)(OC)	C[6a,6a](C[6,6a]C[6,6a]C[6,6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6]C[6,6,6a]C[6]O)(C[6,6a]C[6a]O[6]){1|C<4>,1|H<1>,1|O<1>,6|C<3>}	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6,6a]C[6,6a]2)(C[6]C[6]O)(OC){1|H<1>,1|O<2>,6|C<3>}	C[6a,6a](C[6,6a]C[6,6a]C[6,6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){2|O<2>,3|H<1>,4|C<3>}	121.8600	0.000	1	121.9862	0.156	5	121.9006	0.178	7	121.9006	0.178	7	122.2847	4.246	31	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a,6a]	3:4:3:	3:3:3:2:	3:3:3:	C[6a,6a]-3:C[6,6]-4:C[6,6a]-3:	C[6,6a]-3:C[6,6,6a]-3:C[6]-3:O-2:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6]C[6,6,6a]C[6]O)(C[6,6a]C[6a]O[6])	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6,6a]C[6,6a]2)(C[6]C[6]O)(OC)	C[6a,6a](C[6,6a]C[6,6a]C[6,6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6]C[6,6,6a]C[6]O)(C[6,6a]C[6a]O[6]){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6,6a]C[6,6a]2)(C[6]C[6]O)(OC){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	C[6a,6a](C[6,6a]C[6,6a]C[6,6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){2|O<2>,3|H<1>,4|C<3>}	121.9430	0.000	1	121.9862	0.156	5	121.9006	0.178	7	121.9006	0.178	7	122.2847	4.246	31	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a,6a]	3:4:3:	3:3:3:2:	3:3:3:	C[6a,6a]-3:C[6,6]-4:C[6,6a]-3:	C[6,6a]-3:C[6,6,6a]-3:C[6]-3:O-2:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6]C[6,6,6a]C[6]O)(C[6,6a]C[6a]O[6])	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6,6a]C[6,6a]2)(C[6]C[6]O)(OC)	C[6a,6a](C[6,6a]C[6,6a]C[6,6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6]C[6,6,6a]C[6]O)(C[6,6a]C[6a]O[6]){1|O<1>,2|H<1>,6|C<3>}	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6,6a]C[6,6a]2)(C[6]C[6]O)(OC){1|C<4>,1|O<2>,6|C<3>}	C[6a,6a](C[6,6a]C[6,6a]C[6,6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){2|O<2>,3|H<1>,4|C<3>}	121.4150	0.000	1	121.9862	0.156	5	121.9006	0.178	7	121.9006	0.178	7	122.2847	4.246	31	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a,6a]	3:4:3:	3:3:3:2:	3:3:3:	C[6a,6a]-3:C[6,6]-4:C[6,6a]-3:	C[6,6a]-3:C[6,6,6a]-3:C[6]-3:O-2:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6]C[6,6,6a]C[6]O)(C[6,6a]C[6a]O[6])	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6,6a]C[6,6a]2)(C[6]C[6]O)(OC)	C[6a,6a](C[6,6a]C[6,6a]C[6,6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6]C[6,6,6a]C[6]O)(C[6,6a]C[6a]O[6]){1|O<1>,2|H<1>,6|C<3>}	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6,6a]C[6,6a]2)(C[6]C[6]O)(OC){1|H<1>,1|O<2>,6|C<3>}	C[6a,6a](C[6,6a]C[6,6a]C[6,6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){2|O<2>,3|H<1>,4|C<3>}	122.4100	0.000	1	121.9862	0.156	5	121.9006	0.178	7	121.9006	0.178	7	122.2847	4.246	31	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a,6a]	3:4:3:	3:3:3:2:	3:3:3:	C[6a,6a]-3:C[6,6]-4:C[6,6a]-3:	C[6,6a]-3:C[6,6,6a]-3:C[6]-3:O-2:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6]C[6,6,6a]C[6]O)(C[6,6a]C[6a]O[6])	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6,6a]C[6,6a]2)(C[6]C[6]O)(OC)	C[6a,6a](C[6,6a]C[6,6a]C[6,6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6]C[6,6,6a]C[6]O)(C[6,6a]C[6a]O[6]){1|O<1>,2|H<1>,6|C<3>}	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6,6a]C[6,6a]2)(C[6]C[6]O)(OC){1|O<2>,7|C<3>}	C[6a,6a](C[6,6a]C[6,6a]C[6,6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){2|O<2>,3|H<1>,4|C<3>}	122.3030	0.000	1	121.9862	0.156	5	121.9006	0.178	7	121.9006	0.178	7	122.2847	4.246	31	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a,6a]	3:4:3:	3:3:4:1:	3:3:3:	C[6a,6a]-3:C[6,6]-4:C[6,6a]-3:	C[6,6a]-3:C[6,6a]-3:C[3x6]-4:H-1:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6]C[6,6a]C[3x6]H)(C[6,6a]C[6a]O[6])	C[6,6](C[6,6a]C[6a,6a]C[6,6a])2(C[3x6]C[3x6]C[6]H)(H)	C[6a,6a](C[6,6a]C[6,6a]C[6,6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6]C[6,6a]C[3x6]H)(C[6,6a]C[6a]O[6]){2|C<4>,3|H<1>,5|C<3>}	C[6,6](C[6,6a]C[6a,6a]C[6,6a])2(C[3x6]C[3x6]C[6]H)(H){1|H<1>,4|O<2>,7|C<3>}	C[6a,6a](C[6,6a]C[6,6a]C[6,6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	124.3890	3.024	2	124.3890	9.142	2	124.3890	9.142	2	124.1903	3.484	4	122.2847	4.246	31	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a,6a]	3:4:3:	3:3:4:1:	3:3:3:	C[6a,6a]-3:C[6,6]-4:C[6,6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]O[6])	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(H)	C[6a,6a](C[6,6a]C[6,6a]C[6,6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]O[6]){1|C<4>,4|H<1>,5|C<3>}	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(H){1|H<1>,2|O<2>,6|C<3>}	C[6a,6a](C[6,6a]C[6,6a]C[6,6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	123.2330	0.000	1	123.2330	0.000	1	123.9915	1.151	2	124.1903	3.484	4	122.2847	4.246	31	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a,6a]	3:4:3:	3:3:4:1:	3:3:3:	C[6a,6a]-3:C[6,6]-4:C[6,6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]O[6])	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HO)(H)	C[6a,6a](C[6,6a]C[6,6a]C[6,6])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]O)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]O[6]){1|C<4>,1|O<1>,2|H<1>,2|O<2>,4|C<3>}	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HO)(H){1|C<4>,1|H<1>,1|O<1>,2|O<2>,4|C<3>}	C[6a,6a](C[6,6a]C[6,6a]C[6,6])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]O){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	124.7500	0.000	1	124.7500	0.000	1	123.9915	1.151	2	124.1903	3.484	4	122.2847	4.246	31	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a,6a]	3:4:3:	3:3:4:3:	3:3:3:	C[6a,6a]-3:C[6,6]-4:C[6,6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6]-4:C[6]-3:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6]C[6,6a]C[6]2)(C[6,6a]C[6a]O[6])	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(C[6]C[6]O)	C[6a,6a](C[6,6a]C[6,6a]C[6,6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6]C[6,6a]C[6]2)(C[6,6a]C[6a]O[6]){1|C<4>,1|O<1>,3|H<1>,7|C<3>}	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(C[6]C[6]O){1|O<2>,4|H<1>,6|C<3>}	C[6a,6a](C[6,6a]C[6,6a]C[6,6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	120.2080	0.000	1	120.2080	0.000	1	120.2080	0.000	1	120.2080	0.000	1	122.2847	4.246	31	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a,6a]	3:4:3:	3:4:2:1:	3:3:3:	C[6a,6a]-3:C[6,6]-4:C[6,6a]-3:	C[6,6a]-3:C[5,6,6]-4:O[6]-2:H-1:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6]C[5,6,6]O[6]H)(C[6,6a]C[6a]O[6])	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6,6]C[5,6]2H)(O[6]C[6])(H)	C[6a,6a](C[6,6a]C[6,6a]C[6,6])(C[6a,6a]C[6a]2)(C[6a]C[6a]O)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6]C[5,6,6]O[6]H)(C[6,6a]C[6a]O[6]){1|O<2>,2|H<1>,3|C<3>,3|C<4>}	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6,6]C[5,6]2H)(O[6]C[6])(H){2|H<1>,2|O<2>,3|C<3>,4|C<4>}	C[6a,6a](C[6,6a]C[6,6a]C[6,6])(C[6a,6a]C[6a]2)(C[6a]C[6a]O){1|C<4>,2|C<3>,3|H<1>,3|O<2>}	125.1050	1.765	2	125.1050	3.115	2	125.1050	3.115	2	122.7185	4.458	6	122.2847	4.246	31	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a,6a]	3:4:3:	3:4:2:1:	3:3:3:	C[6a,6a]-3:C[6,6]-4:C[6,6a]-3:	C[6,6a]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]N[6])	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6]2H)(O[6]C[6])(H)	C[6a,6a](C[6,6a]C[6,6a]C[6,6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]N[6]){3|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6]2H)(O[6]C[6])(H){1|C<4>,1|N<3>,4|C<3>,5|H<1>}	C[6a,6a](C[6,6a]C[6,6a]C[6,6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,4|H<1>}	121.2320	0.000	1	121.2320	0.000	1	121.5252	0.697	4	122.7185	4.458	6	122.2847	4.246	31	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a,6a]	3:4:3:	3:4:2:1:	3:3:3:	C[6a,6a]-3:C[6,6]-4:C[6,6a]-3:	C[6,6a]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]N[6])	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6]2H)(O[6]C[6])(H)	C[6a,6a](C[6,6a]C[6,6a]C[6,6])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]N[6]){1|O<1>,1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6]2H)(O[6]C[6])(H){1|C<4>,1|N<3>,4|C<3>,5|H<1>}	C[6a,6a](C[6,6a]C[6,6a]C[6,6])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,3|H<1>}	121.6230	0.994	3	121.6230	0.988	3	121.5252	0.697	4	122.7185	4.458	6	122.2847	4.246	31	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a,6a]	3:4:3:	3:4:3:1:	3:3:3:	C[6a,6a]-3:C[6,6]-4:C[6,6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6]2H)(C[6]C[6]H)(H)	C[6a,6a](C[6,6a]C[6,6a]C[6,6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6]){2|C<4>,4|C<3>,6|H<1>}	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6]2H)(C[6]C[6]H)(H){2|C<4>,3|H<1>,5|C<3>}	C[6a,6a](C[6,6a]C[6,6a]C[6,6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	119.7090	0.000	1	119.7090	0.000	1	120.4277	0.388	3	120.4277	0.388	3	122.2847	4.246	31	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a,6a]	3:4:3:	3:4:3:1:	3:3:3:	C[6a,6a]-3:C[6,6]-4:C[6,6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]N[6])	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]HH)(C[6]C[6]O)(H)	C[6a,6a](C[6,6a]C[6,6a]C[6,6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]N[6]){1|O<1>,3|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]HH)(C[6]C[6]O)(H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6a,6a](C[6,6a]C[6,6a]C[6,6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|N<3>,3|C<3>,3|H<1>}	120.7660	0.000	1	120.7660	0.000	1	120.4277	0.388	3	120.4277	0.388	3	122.2847	4.246	31	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a,6a]	3:4:3:	3:4:3:1:	3:3:3:	C[6a,6a]-3:C[6,6]-4:C[6,6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6]2H)(C[6]C[6]H)(H)	C[6a,6a](C[6,6a]C[6,6a]C[6,6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6]){2|C<4>,4|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6]2H)(C[6]C[6]H)(H){2|C<4>,2|H<1>,2|O<2>,4|C<3>}	C[6a,6a](C[6,6a]C[6,6a]C[6,6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	120.8080	0.000	1	120.8080	0.000	1	120.4277	0.388	3	120.4277	0.388	3	122.2847	4.246	31	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a,6a]	3:4:3:	3:4:4:1:	3:3:3:	C[6a,6a]-3:C[6,6]-4:C[6,6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6]3)(C[6]O[6]HH)(H)	C[6a,6a](C[6,6a]C[6,6a]C[6,6])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6]){1|O<1>,2|C<4>,2|O<2>,3|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6]3)(C[6]O[6]HH)(H){3|C<4>,3|H<1>,5|C<3>}	C[6a,6a](C[6,6a]C[6,6a]C[6,6])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	122.0700	0.000	1	122.0700	0.000	1	122.4123	0.213	3	122.4123	0.213	3	122.2847	4.246	31	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a,6a]	3:4:3:	3:4:4:1:	3:3:3:	C[6a,6a]-3:C[6,6]-4:C[6,6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]HH)(C[6]C[6]HO)(H)	C[6a,6a](C[6,6a]C[6,6a]C[6,6])(C[6a,6a]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6]){1|O<2>,2|C<4>,3|C<3>,5|H<1>}	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]HH)(C[6]C[6]HO)(H){1|C<4>,2|H<1>,2|O<2>,3|C<3>}	C[6a,6a](C[6,6a]C[6,6a]C[6,6])(C[6a,6a]C[6,6a]C[6a])(C[6a]C[6a]H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	122.5835	0.500	2	122.5835	0.250	2	122.4123	0.213	3	122.4123	0.213	3	122.2847	4.246	31	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a,6a]	4:3:3:	3:3:3:1:	3:3:3:	C[6,6]-4:C[6a,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a](C[6,6]C[6,6,6a]C[6,6a]H)(C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]N[6])	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6,6,6a]C[6,6a]2)(H)	C[6a,6a](C[6,6a]C[6,6a]C[6,6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6,6a](C[6,6]C[6,6,6a]C[6,6a]H)(C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]N[6]){1|C<4>,2|H<1>,7|C<3>}	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6,6,6a]C[6,6a]2)(H){1|N<3>,2|O<2>,7|C<3>}	C[6a,6a](C[6,6a]C[6,6a]C[6,6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,4|C<3>,4|H<1>}	128.9020	0.000	1	128.9020	0.000	1	128.9020	0.000	1	128.9020	0.000	1	122.2847	4.246	31	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	3:4:3:	3:2:2:4:	3:3:1:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a]-3:O[6]-2:O[6]-2:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6,6]C[6]O[6]2)(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])2(C[6]C[6]HO)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6,6]C[6]O[6]2)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>,3|O<2>}	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])2(C[6]C[6]HO){1|Cl<1>,1|C<4>,2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	118.7460	0.000	1	118.7460	0.000	1	118.7460	0.000	1	118.7460	0.000	1	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	3:4:3:	3:2:3:2:	3:3:1:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a]-3:O[6]-2:C[6]-3:O[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6,6]C[6]O[6]2)(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(C[6]O[6]O)(O[6]C[6])	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6,6]C[6]O[6]2)(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(C[6]O[6]O)(O[6]C[6]){1|H<1>,1|N<2>,2|C<3>,4|C<4>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>,2|O<2>}	123.2780	0.000	1	123.2780	0.000	1	123.2780	0.000	1	123.2780	0.000	1	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	3:4:3:	3:2:3:3:	3:3:1:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a]-3:O[6]-2:C[6]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6,6]C[6]2O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(C[6]C[6]H)2	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]Br)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6,6]C[6]2O[6])(C[6a]C[6a]H){1|Br<1>,3|H<1>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(C[6]C[6]H)2{1|C<4>,1|H<1>,1|O<2>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]Br)(H){1|H<1>,2|O<2>,3|C<3>}	121.0283	0.955	3	121.0283	0.913	3	120.8970	0.678	4	120.8970	0.678	4	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	3:4:3:	3:2:3:3:	3:3:1:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a]-3:O[6]-2:C[6]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6,6]C[6]2O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(C[6]C[6]H)2	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]Cl)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6,6]C[6]2O[6])(C[6a]C[6a]H){1|Cl<1>,3|H<1>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(C[6]C[6]H)2{1|C<4>,1|H<1>,1|O<2>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]Cl)(H){1|H<1>,2|O<2>,3|C<3>}	120.5030	0.000	1	120.5030	0.000	1	120.8970	0.678	4	120.8970	0.678	4	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	3:4:3:	3:2:4:2:	3:3:1:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a]-3:O[6]-2:C[6]-4:O[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6,6]C[6]O[6]2)(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(C[6]C[6]HH)(O[6]C[6])	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6,6]C[6]O[6]2)(C[6a]C[6a]H){1|C<4>,3|C<3>,5|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(C[6]C[6]HH)(O[6]C[6]){2|H<1>,7|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	123.1865	0.063	2	123.1865	0.004	2	123.1865	0.004	2	123.1865	0.004	2	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	3:4:3:	3:2:4:3:	3:3:1:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a]-3:O[6]-2:C[6]-4:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6,6]C[6]2O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(C[6]C[6]HH)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6,6]C[6]2O[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,5|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(C[6]C[6]HH)(C[6]C[6]O){1|C<4>,3|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	120.8650	0.000	1	120.8650	0.000	1	121.7512	0.755	4	121.7512	0.755	4	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	3:4:3:	3:2:4:3:	3:3:1:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a]-3:O[6]-2:C[6]-4:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6,6]C[6]2O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(C[6]C[6]HH)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6,6]C[6]2O[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,5|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(C[6]C[6]HH)(C[6]C[6]H){1|H<1>,1|O<2>,2|C<4>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|O<2>}	122.7470	0.000	1	122.0467	0.609	3	121.7512	0.755	4	121.7512	0.755	4	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	3:4:3:	3:2:4:3:	3:3:1:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a]-3:O[6]-2:C[6]-4:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6,6]C[6]2O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(C[6]C[6]HH)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6,6]C[6]2O[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,5|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(C[6]C[6]HH)(C[6]C[6]H){1|H<1>,1|O<2>,2|C<4>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|O<2>}	121.6965	0.695	2	122.0467	0.609	3	121.7512	0.755	4	121.7512	0.755	4	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	3:4:3:	3:3:2:1:	3:3:1:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a]-3:N[6,6]-3:O[6]-2:H-1:	C[6a,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]O[6]H)(C[6a]C[6a,6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(O[6]C[6])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6,6])(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]O[6]H)(C[6a]C[6a,6a]H){1|H<1>,2|C<4>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(O[6]C[6])(H){1|C<4>,4|C<3>,5|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6,6])(H){1|H<1>,1|N<3>,1|O<1>,2|O<2>,3|C<3>}	120.3440	0.000	1	120.3440	0.000	1	120.3440	0.000	1	120.3440	0.000	1	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	3:4:3:	3:3:2:2:	3:3:1:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a]-3:C[6]-3:O[6]-2:O[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6,6]C[6]O[6]2)(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(O[6]C[6])2	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6,6]C[6]O[6]2)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>,2|O<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(O[6]C[6])2{1|H<1>,2|O<2>,7|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|H<1>,2|O<2>,3|C<3>}	119.5810	0.000	2	119.5810	0.000	2	119.5810	0.000	2	119.5810	0.000	2	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	3:4:3:	3:3:3:1:	3:3:1:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a]-3:N[3x6]-3:N[6]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6,6]N[3x6]N[6]H)(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[3x6]C[6,6a]C[3x6])(N[6]C[6,6a]H)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6,6]N[3x6]N[6]H)(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[3x6]C[6,6a]C[3x6])(N[6]C[6,6a]H)(H){1|N<3>,2|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|N<3>}	119.9560	0.291	2	119.9560	0.085	2	119.9560	0.085	2	119.0649	0.880	10	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	3:4:3:	3:3:3:1:	3:3:1:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a]-3:N[6,6]-3:N[6,6]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6,6]N[6,6]2H)(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(N[6,6]C[6]2)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6,6]N[6,6]2H)(C[6a]C[6a]H){2|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(N[6,6]C[6]2)(H){1|O<1>,3|C<3>,3|C<4>,6|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|N<3>}	117.8180	0.000	1	117.8180	0.000	1	118.8421	0.835	8	119.0649	0.880	10	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	3:4:3:	3:3:3:1:	3:3:1:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a]-3:N[6,6]-3:N[6,6]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6,6]N[6,6]2H)(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(N[6,6]C[6]S[6])(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6,6]N[6,6]2H)(C[6a]C[6a]H){1|C<3>,1|S<4>,3|C<4>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(N[6,6]C[6]S[6])(H){2|O<1>,3|C<3>,3|C<4>,6|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|N<3>}	117.6130	0.000	1	117.6130	0.000	1	118.8421	0.835	8	119.0649	0.880	10	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	3:4:3:	3:3:3:1:	3:3:1:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a]-3:N[6,6]-3:N[6,6]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6,6]N[6,6]2H)(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])2(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6,6]N[6,6]2H)(C[6a]C[6a]H){1|C<3>,4|C<4>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])2(H){1|N<3>,2|C<4>,4|C<3>,7|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|N<3>}	119.2177	0.699	6	119.2177	0.489	6	118.8421	0.835	8	119.0649	0.880	10	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	3:4:3:	3:3:3:2:	3:3:1:	C[6,6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6,6]-3:O[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6,6a]C[6,6,6a]C[6,6a])(C[6,6]C[6,6a]C[6,6]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O[6]C[6,6a])	C[6a](C[6,6a]C[6,6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6,6a]C[6,6,6a]C[6,6a])(C[6,6]C[6,6a]C[6,6]O[6])(C[6a]C[6a]H){1|H<1>,1|O<2>,7|C<3>}	C[6,6](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O[6]C[6,6a]){1|C<2>,1|N<3>,3|H<1>,7|C<3>}	C[6a](C[6,6a]C[6,6,6a]C[6,6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,4|C<3>}	122.5430	0.000	1	122.5430	0.000	1	122.5430	0.000	1	121.2113	1.330	3	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	3:4:3:	3:3:3:2:	3:3:1:	C[6,6a,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6,6]C[6]2N[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]H)2(N[6]C[6])	C[6a](C[6,6a]C[6,6a,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6,6]C[6]2N[6])(C[6a]C[6a]H){3|H<1>,6|C<3>}	C[6,6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]H)2(N[6]C[6]){1|N<3>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a,6a]C[6,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,4|C<3>}	120.5450	0.000	1	120.5450	0.000	1	120.5450	0.000	1	121.2113	1.330	3	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	3:4:3:	3:3:3:2:	3:3:1:	C[6,6a,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a]-3:N[6,6]-3:N[6]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6,6]N[6,6]N[6]O)(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a,6a]C[6a])(N[6,6]C[6,6a]C[6])(N[6]C[6]C)(OO)	C[6a](C[6,6a]C[6,6a,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6,6]N[6,6]N[6]O)(C[6a]C[6a]H){1|C<4>,1|H<1>,6|C<3>}	C[6,6](C[6,6a]C[6,6a,6a]C[6a])(N[6,6]C[6,6a]C[6])(N[6]C[6]C)(OO){1|H<1>,2|O<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a,6a]C[6,6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|N<3>}	120.5460	0.000	1	120.5460	0.000	1	120.5460	0.000	1	121.2113	1.330	3	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	3:4:3:	3:3:3:3:	3:3:1:	C[6,6a,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:N[5a,6]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6a]N[5a,6]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6]C[5a])(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6a]N[5a,6]C[6])(C[6a]C[6a]H){2|H<1>,8|C<3>}	C[6,6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6]C[5a])(C[6]C[6]H){1|N<2>,3|H<1>,8|C<3>}	C[6a](C[6,6a]C[6,6a,6a]C[6,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	117.7450	0.000	1	117.7450	0.000	1	117.7450	0.000	1	118.1388	0.639	49	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	3:4:3:	3:3:3:3:	3:3:1:	C[6,6a,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a]-3:N[5a,6]-3:C[6]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6,6]N[5a,6]C[6]2)(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a,6a]C[6a])(N[5a,6]C[5a,6]C[5a])(C[6]C[6]H)2	C[6a](C[6,6a]C[6,6a,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6,6]N[5a,6]C[6]2)(C[6a]C[6a]H){3|H<1>,7|C<3>}	C[6,6](C[6,6a]C[6,6a,6a]C[6a])(N[5a,6]C[5a,6]C[5a])(C[6]C[6]H)2{1|N<2>,3|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a,6a]C[6,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	118.4765	0.719	2	118.4765	0.517	2	118.4765	0.517	2	118.1388	0.639	49	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	3:4:3:	3:3:3:3:	3:3:1:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6,6]C[6,6a]3)(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])4	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6,6]C[6,6a]3)(C[6a]C[6a]H){2|H<1>,9|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])4{1|C<4>,1|S<2>,4|H<1>,8|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,4|C<3>}	117.3893	0.448	4	117.3893	0.201	4	118.1327	0.661	46	118.1388	0.639	49	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	3:4:3:	3:3:3:3:	3:3:1:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6,6]C[6,6a]3)(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])4	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6,6]C[6,6a]3)(C[6a]C[6a]H){2|H<1>,8|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])4{1|N<3>,1|S<2>,4|H<1>,8|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	118.7283	0.373	6	118.5749	0.213	18	118.1327	0.661	46	118.1388	0.639	49	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	3:4:3:	3:3:3:3:	3:3:1:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6,6]C[6,6a]3)(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])4	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6,6]C[6,6a]3)(C[6a]C[6a]H){2|H<1>,8|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])4{1|N<3>,1|S<4>,4|H<1>,8|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	118.0145	0.374	4	118.5749	0.213	18	118.1327	0.661	46	118.1388	0.639	49	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	3:4:3:	3:3:3:3:	3:3:1:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6,6]C[6,6a]3)(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])4	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6,6]C[6,6a]3)(C[6a]C[6a]H){2|H<1>,8|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])4{2|N<3>,4|H<1>,8|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	118.7401	0.356	8	118.5749	0.213	18	118.1327	0.661	46	118.1388	0.639	49	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	3:4:3:	3:3:3:3:	3:3:1:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6,6]C[6,6a]3)(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])4	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6,6]C[6,6a]3)(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])4{2|H<1>,4|O<2>,8|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,4|C<3>}	120.5125	0.009	2	120.5125	0.000	2	118.1327	0.661	46	118.1388	0.639	49	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	3:4:3:	3:3:3:3:	3:3:1:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]S[6])(C[6,6]C[6,6a]3)(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])4	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]C)(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6,6]C[6,6a]3)(C[6a]C[6a]H){2|C<4>,7|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])4{1|C<4>,1|S<2>,4|H<1>,8|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]C)(H){1|H<1>,1|S<2>,4|C<3>}	116.9575	0.507	2	116.9575	0.257	2	118.1327	0.661	46	118.1388	0.639	49	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	3:4:3:	3:3:3:3:	3:3:1:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]S[6])(C[6,6]C[6,6a]3)(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])4	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6,6]C[6,6a]3)(C[6a]C[6a]H){2|H<1>,2|O<1>,7|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])4{1|N<3>,1|S<4>,4|H<1>,8|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,4|C<3>}	117.3475	0.439	4	117.7629	0.144	20	118.1327	0.661	46	118.1388	0.639	49	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	3:4:3:	3:3:3:3:	3:3:1:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]S[6])(C[6,6]C[6,6a]3)(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])4	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6,6]C[6,6a]3)(C[6a]C[6a]H){2|H<1>,2|O<1>,7|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])4{1|S<2>,1|S<4>,4|H<1>,8|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,4|C<3>}	118.0418	0.280	4	117.7629	0.144	20	118.1327	0.661	46	118.1388	0.639	49	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	3:4:3:	3:3:3:3:	3:3:1:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]S[6])(C[6,6]C[6,6a]3)(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])4	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6,6]C[6,6a]3)(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])4{1|C<4>,1|S<2>,4|H<1>,8|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,4|C<3>}	117.9880	0.257	2	117.7629	0.144	20	118.1327	0.661	46	118.1388	0.639	49	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	3:4:3:	3:3:3:3:	3:3:1:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]S[6])(C[6,6]C[6,6a]3)(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])4	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6,6]C[6,6a]3)(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])4{1|N<3>,1|S<2>,4|H<1>,8|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,4|C<3>}	117.8283	0.319	6	117.7629	0.144	20	118.1327	0.661	46	118.1388	0.639	49	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	3:4:3:	3:3:3:3:	3:3:1:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]S[6])(C[6,6]C[6,6a]3)(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])4	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6,6]C[6,6a]3)(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])4{1|S<2>,1|S<4>,4|H<1>,8|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,4|C<3>}	117.6885	0.252	4	117.7629	0.144	20	118.1327	0.661	46	118.1388	0.639	49	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	3:4:3:	3:3:3:3:	3:3:2:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6,6]C[6,6a]3)(C[6a]C[6a]O)	C[6,6](C[6,6a]C[6,6a]C[6a])4	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(OH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6,6]C[6,6a]3)(C[6a]C[6a]O){2|H<1>,7|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])4{2|H<1>,4|O<2>,8|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(OH){1|H<1>,1|O<2>,4|C<3>}	121.0375	0.961	2	121.0375	0.923	2	121.0375	0.923	2	121.0375	0.923	2	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	3:4:3:	3:3:3:4:	3:3:1:	C[6,6a,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-3:C[6]-3:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6]C)(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6]B[6]C[6])(C[6]C[6]H)(CH3)	C[6a](C[6,6a]C[6,6a,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6]C)(C[6a]C[6a]H){1|B<3>,2|H<1>,5|C<3>}	C[6,6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6]B[6]C[6])(C[6]C[6]H)(CH3){1|H<1>,2|C<4>,5|C<3>}	C[6a](C[6,6a]C[6,6a,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,4|C<3>}	118.7300	0.000	1	118.7300	0.000	1	118.7300	0.000	1	118.7300	0.000	1	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	3:4:3:	3:3:4:1:	3:3:1:	C[5a,6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6,6]C[6,6a]C[6,6]H)(C[6a]C[6a]H)	C[6,6](C[6,6a]C[5a,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]N[6]H)(H)	C[6a](C[6,6a]C[5a,6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6,6]C[6,6a]C[6,6]H)(C[6a]C[6a]H){1|C<4>,2|H<1>,2|N<3>,4|C<3>}	C[6,6](C[6,6a]C[5a,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]N[6]H)(H){2|C<4>,4|H<1>,5|C<3>}	C[6a](C[6,6a]C[5a,6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	131.3150	0.000	1	131.3150	0.000	1	131.3150	0.000	1	121.1989	9.665	16	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	3:4:3:	3:3:4:1:	3:3:1:	C[6,6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a]-3:C[6,6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6,6]C[6,6,6a]C[6]H)(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6,6a]C[6a])(C[6,6,6a]C[6,6a]2)(C[6]C[6]HH)(H)	C[6a](C[6,6a]C[6,6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6,6]C[6,6,6a]C[6]H)(C[6a]C[6a]H){3|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6a]C[6,6,6a]C[6a])(C[6,6,6a]C[6,6a]2)(C[6]C[6]HH)(H){2|C<4>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6,6a]C[6,6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	119.9930	0.207	3	119.9930	0.043	3	119.9930	0.043	3	121.1989	9.665	16	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	3:4:3:	3:3:4:1:	3:3:1:	C[6,6a,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6a]-3:C[6a,6a]-3:O-1:	C[6,6a](C[6,6a,6a]C[6a,6a]N[6,6a])(C[6,6]C[6,6a]C[6,6]H)(C[6a]C[6a,6a]O)	C[6,6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2C)(H)	C[6a](C[6,6a]C[6,6a,6a]C[6,6])(C[6a,6a]C[6a,6a]C[6a])(O)	C[6,6a](C[6,6a,6a]C[6a,6a]N[6,6a])(C[6,6]C[6,6a]C[6,6]H)(C[6a]C[6a,6a]O){1|N<2>,2|C<4>,6|C<3>}	C[6,6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2C)(H){1|N<3>,1|O<1>,1|O<2>,4|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a,6a]C[6,6])(C[6a,6a]C[6a,6a]C[6a])(O){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	117.3850	0.000	1	117.3850	0.000	1	117.3850	0.000	1	121.1989	9.665	16	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	3:4:3:	3:3:4:1:	3:3:1:	C[6,6a,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6a]C[6,6]H)(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a,6a]N[6a])(C[6,6]C[6,6]HH)(H)	C[6a](C[6,6a]C[6,6a,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6a]C[6,6]H)(C[6a]C[6a]H){1|C<4>,2|N<2>,3|C<3>,3|H<1>}	C[6,6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a,6a]N[6a])(C[6,6]C[6,6]HH)(H){2|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	121.3190	0.000	1	121.3190	0.000	1	121.3190	0.000	1	121.1989	9.665	16	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	3:4:3:	3:3:4:1:	3:3:1:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6]-3:C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]H)	C[6,6](C[6,6]C[6,6a]C[6,6])(C[6,6a]C[6,6a]C[6a])(C[6]O[6]HH)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,5|H<1>}	C[6,6](C[6,6]C[6,6a]C[6,6])(C[6,6a]C[6,6a]C[6a])(C[6]O[6]HH)(H){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	119.1437	0.142	3	119.1437	0.020	3	119.1437	0.020	3	121.1989	9.665	16	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	3:4:3:	3:3:4:1:	3:3:1:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-3:C[6,6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6,6]C[6,6]2H)(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6,6]C[6,6]HH)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6,6]C[6,6]2H)(C[6a]C[6a]H){1|C<4>,3|C<3>,6|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6,6]C[6,6]HH)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>,4|C<4>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	120.9290	0.000	1	120.9290	0.000	1	121.8367	1.652	6	121.1989	9.665	16	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	3:4:3:	3:3:4:1:	3:3:1:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-3:C[6,6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6,6]C[6,6]2H)(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6,6]C[6,6]HH)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]Cl)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6,6]C[6,6]2H)(C[6a]C[6a]H){1|Cl<1>,2|C<4>,3|C<3>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6,6]C[6,6]HH)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>,2|N<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]Cl)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	120.1770	0.000	1	120.1770	0.000	1	121.8367	1.652	6	121.1989	9.665	16	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	3:4:3:	3:3:4:1:	3:3:1:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-3:C[6,6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6,6]C[6,6]2H)(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6,6]C[6,6]HH)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6,6]C[6,6]2H)(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6,6]C[6,6]HH)(H){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	122.3410	0.123	2	122.8370	0.746	3	121.8367	1.652	6	121.1989	9.665	16	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	3:4:3:	3:3:4:1:	3:3:1:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-3:C[6,6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6,6]C[6,6]2H)(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6,6]C[6,6]HH)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6,6]C[6,6]2H)(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6,6]C[6,6]HH)(H){1|H<1>,1|O<1>,2|C<4>,2|O<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	123.8290	0.000	1	122.8370	0.746	3	121.8367	1.652	6	121.1989	9.665	16	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	3:4:3:	3:3:4:1:	3:3:1:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-3:C[6,6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6,6]C[6,6]2H)(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6,6]C[6,6]2H)(C[6a]C[6a]H){2|C<4>,2|H<1>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(H){1|O<1>,2|C<4>,2|O<2>,3|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	121.4030	0.000	1	121.4030	0.000	1	121.8367	1.652	6	121.1989	9.665	16	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	3:4:3:	3:3:4:1:	3:3:1:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	N[5,3x6]-3:C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6,6]N[5,3x6]C[6]H)(C[6a]C[6a]H)	C[6,6](N[5,3x6]C[5,5,3x6]C[5,6])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6,6]N[5,3x6]C[6]H)(C[6a]C[6a]H){3|C<3>,3|C<4>,4|H<1>}	C[6,6](N[5,3x6]C[5,5,3x6]C[5,6])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	120.7340	0.000	1	120.7340	0.000	1	120.7340	0.000	1	121.1989	9.665	16	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	3:4:3:	3:3:4:2:	3:3:1:	C[6,6a,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6a]C[6,6]O)(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(OH)	C[6a](C[6,6a]C[6,6a,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6a]C[6,6]O)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	C[6,6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(OH){1|O<2>,3|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<4>,2|O<2>,3|C<3>}	123.1830	0.000	1	123.1830	0.000	1	123.1830	0.000	1	121.5850	5.107	2	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	3:4:3:	3:3:4:2:	3:3:1:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6]-4:O[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(C[6]C[6]HH)(O[6]C[6])	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O[6])(C[6a]C[6a]H){1|O<1>,4|H<1>,5|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(C[6]C[6]HH)(O[6]C[6]){1|H<1>,1|O<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	119.9870	0.000	1	119.9870	0.000	1	119.9870	0.000	1	121.5850	5.107	2	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	3:4:3:	3:3:4:3:	3:3:1:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a]-3:C[6]-3:P[6]-4:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6,6]C[6]2P[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6])(P[6]O[6]NO)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6,6]C[6]2P[6])(C[6a]C[6a]H){1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6])(P[6]O[6]NO)(C[6]C[6]H){3|C<3>,3|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|P<4>,3|C<3>}	115.0990	0.000	1	115.0990	0.000	1	115.0990	0.000	1	115.0990	0.000	1	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	3:4:3:	3:3:4:4:	3:3:1:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6]-4:C[6]-4:	C[6a,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6]2N[6])(C[6a]C[6a,6a]O)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]H)(C[6]C[6]HH)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6,6])(O)	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6]2N[6])(C[6a]C[6a,6a]O){2|C<4>,4|C<3>,6|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]H)(C[6]C[6]HH)2{1|C<4>,1|N<3>,1|O<1>,3|C<3>,4|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6,6])(O){1|H<1>,2|C<4>,2|N<3>,3|C<3>}	120.0305	0.969	2	120.0305	0.940	2	120.0305	0.940	2	120.0305	0.940	2	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	3:4:3:	3:4:2:1:	3:3:1:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,5,6]C[6a])(C[6,6]C[6,6]O[6]H)(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,5,6,6]HH)(O[6]C[6])(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,5,6]C[6a])(C[6,6]C[6,6]O[6]H)(C[6a]C[6a]H){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,5,6,6]HH)(O[6]C[6])(H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	119.6037	0.271	3	120.0095	0.708	4	120.6981	1.323	7	120.9400	1.229	9	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	3:4:3:	3:4:2:1:	3:3:1:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,5,6]C[6a])(C[6,6]C[6,6]O[6]H)(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,5,6,6]HH)(O[6]C[6])(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,5,6]C[6a])(C[6,6]C[6,6]O[6]H)(C[6a]C[6a]H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,5,6,6]HH)(O[6]C[6])(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	121.2270	0.000	1	120.0095	0.708	4	120.6981	1.323	7	120.9400	1.229	9	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	3:4:3:	3:4:2:1:	3:3:1:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6]C[6,6]O[6]H)(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(O[6]C[6])(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6,6a]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6]C[6,6]O[6]H)(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(O[6]C[6])(H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6,6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	122.3740	0.000	1	121.5495	1.360	2	120.6981	1.323	7	120.9400	1.229	9	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	3:4:3:	3:4:2:1:	3:3:1:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6]C[6,6]O[6]H)(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(O[6]C[6])(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6,6a]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6]C[6,6]O[6]H)(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(O[6]C[6])(H){1|N<3>,2|C<3>,2|H<1>,3|C<4>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6,6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	120.7250	0.000	1	121.5495	1.360	2	120.6981	1.323	7	120.9400	1.229	9	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	3:4:3:	3:4:2:1:	3:3:1:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6,6]C[6,6]O[6]H)(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5a,6]C[6]H)(O[6]C[6])(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6,6]C[6,6]O[6]H)(C[6a]C[6a]H){1|N<2>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5a,6]C[6]H)(O[6]C[6])(H){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	121.7500	0.000	1	121.7500	0.000	1	120.6981	1.323	7	120.9400	1.229	9	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	3:4:3:	3:4:2:1:	3:3:1:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:O[6,6]-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[3x6]C[6a])(C[6,6]O[6,6]C[6]H)(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[3x6]HH)(O[6,6]C[4x6])(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[3x6]C[6a])(C[6,6]O[6,6]C[6]H)(C[6a]C[6a]H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[3x6]HH)(O[6,6]C[4x6])(H){1|H<1>,2|C<3>,2|O<2>,3|C<4>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	121.7865	0.233	2	121.7865	0.054	2	121.7865	0.054	2	120.9400	1.229	9	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	3:4:3:	3:4:2:1:	3:3:2:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6a]C[5,6a]C[6])(C[6,6]C[6,6]O[6]H)(C[6a]C[6a]O)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]N[6]H)(O[6]C[6])(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[5,6a]C)(OH)	C[6,6a](C[6,6a]C[5,6a]C[6])(C[6,6]C[6,6]O[6]H)(C[6a]C[6a]O){1|N<3>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]N[6]H)(O[6]C[6])(H){2|C<3>,2|O<2>,3|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[5,6a]C)(OH){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	119.5980	0.000	1	119.5980	0.000	1	119.5980	0.000	1	119.5980	0.000	1	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	3:4:3:	3:4:2:2:	3:3:1:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:O[6]-2:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]O)(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]O[6]O)(O[6]C[6,6a])(OC[5])	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]O)(C[6a]C[6a]H){2|H<1>,2|O<2>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]O[6]O)(O[6]C[6,6a])(OC[5]){1|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	119.9875	0.560	4	119.9875	0.314	4	119.9875	0.314	4	120.2623	1.875	6	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	3:4:3:	3:4:2:2:	3:3:1:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:O[6]-2:O[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]2)(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CH)(O[6]C[6])2	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]2)(C[6a]C[6a]H){3|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CH)(O[6]C[6])2{1|C<4>,4|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	122.7520	0.000	1	122.7520	0.000	1	122.7520	0.000	1	120.2623	1.875	6	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	3:4:3:	3:4:2:2:	3:3:1:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:S[6]-2:S[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6,6]C[6]S[6]2)(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(S[6]C[6])2	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]N)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6,6]C[6]S[6]2)(C[6a]C[6a]H){1|C<3>,1|N<3>,3|C<4>,5|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(S[6]C[6])2{2|C<3>,2|C<4>,7|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,2|C<4>,2|S<2>}	118.8720	0.000	1	118.8720	0.000	1	118.8720	0.000	1	120.2623	1.875	6	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	3:4:3:	3:4:2:3:	3:3:1:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:O[6]-2:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6,6]C[6]2O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(O[6]C[6,6a])(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6,6]C[6]2O[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,5|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(O[6]C[6,6a])(C[6]C[6]H){1|C<4>,1|H<1>,1|O<2>,6|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	121.2260	0.000	1	121.2390	0.000	2	121.2390	0.000	2	121.2390	0.000	2	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	3:4:3:	3:4:2:3:	3:3:1:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:O[6]-2:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6,6]C[6]2O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(O[6]C[6,6a])(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6,6]C[6]2O[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,5|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(O[6]C[6,6a])(C[6]C[6]H){1|H<1>,2|O<2>,6|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	121.2520	0.000	1	121.2390	0.000	2	121.2390	0.000	2	121.2390	0.000	2	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	3:4:3:	3:4:3:1:	3:3:1:	C[5a,6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]H)	C[6,6](C[6,6a]C[5a,6,6a]C[6a])(C[6,6]C[6]N[6]H)(C[6]C[6]H)(H)	C[6a](C[6,6a]C[5a,6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]H){1|C<4>,2|N<3>,3|C<3>,3|H<1>}	C[6,6](C[6,6a]C[5a,6,6a]C[6a])(C[6,6]C[6]N[6]H)(C[6]C[6]H)(H){3|C<3>,3|C<4>,3|H<1>}	C[6a](C[6,6a]C[5a,6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	129.2027	0.729	3	128.8415	0.876	4	128.8415	0.876	4	127.5470	9.035	5	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	3:4:3:	3:4:3:1:	3:3:1:	C[5a,6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]H)	C[6,6](C[6,6a]C[5a,6,6a]C[6a])(C[6,6]C[6]N[6]H)(C[6]C[6]H)(H)	C[6a](C[6,6a]C[5a,6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|N<3>,3|H<1>}	C[6,6](C[6,6a]C[5a,6,6a]C[6a])(C[6,6]C[6]N[6]H)(C[6]C[6]H)(H){1|S<4>,2|C<4>,3|C<3>,4|H<1>}	C[6a](C[6,6a]C[5a,6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	127.7580	0.000	1	128.8415	0.876	4	128.8415	0.876	4	127.5470	9.035	5	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	3:4:3:	3:4:3:1:	3:3:1:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3,6,6]HH)(C[6]C[6]S)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]H){1|O<2>,1|S<4>,2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3,6,6]HH)(C[6]C[6]S)(H){2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	122.3690	0.000	1	122.3690	0.000	1	122.3690	0.000	1	127.5470	9.035	5	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	3:4:3:	3:4:3:2:	3:3:1:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6]-3:O[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6,6]C[6]2O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(C[6]N[6]O)(O[6]C[6])	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6,6]C[6]2O[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,2|O<1>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(C[6]N[6]O)(O[6]C[6]){3|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	121.0490	0.000	1	121.0490	0.000	1	120.4415	0.738	2	120.4415	0.738	2	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	3:4:3:	3:4:3:2:	3:3:1:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6]-3:O[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6,6]C[6]2O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(C[6]N[6]O)(O[6]C[6])	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6,6]C[6]2O[6])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,2|O<1>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(C[6]N[6]O)(O[6]C[6]){1|C<4>,4|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	119.8340	0.000	1	119.8340	0.000	1	120.4415	0.738	2	120.4415	0.738	2	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	3:4:3:	3:4:3:3:	3:3:1:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6]-3:N[6]-3:	C[6,6a]-3:C[5,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6,6]C[6]2N[6])(C[6a]C[5,6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(C[6]C[6]Cl)(N[6]C[6]C)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[5,6a]C[5,6a]O[5])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6,6]C[6]2N[6])(C[6a]C[5,6a]H){1|Cl<1>,1|O<2>,2|C<3>,3|C<4>,5|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(C[6]C[6]Cl)(N[6]C[6]C){2|C<3>,2|C<4>,6|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[5,6a]C[5,6a]O[5])(H){1|N<3>,1|O<2>,2|C<3>,3|C<4>}	118.5390	0.000	1	118.5390	0.000	1	118.5390	0.000	1	118.5390	0.000	1	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	3:4:3:	3:4:3:3:	3:3:2:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[6]-3:C[6]-3:	C[6,6a]-3:C[5,6a]-3:O-2:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6,6]C[5,6]C[6]2)(C[6a]C[5,6a]O)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]O[5,6]C[5]H)(C[6]C[6]H)2	C[6a](C[6,6a]C[6,6a]C[6,6])(C[5,6a]C[5,6a]O[5])(OC)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6,6]C[5,6]C[6]2)(C[6a]C[5,6a]O){2|C<4>,2|O<2>,3|C<3>,5|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]O[5,6]C[5]H)(C[6]C[6]H)2{1|H<1>,3|C<3>,3|C<4>,3|O<2>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[5,6a]C[5,6a]O[5])(OC){1|O<2>,3|C<3>,3|C<4>}	121.3510	0.000	1	121.3510	0.000	1	121.3510	0.000	1	121.3510	0.000	1	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	3:4:3:	3:4:3:3:	3:3:3:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C-3:	C[6,6a](C[6,6a]C[6a]O[6])(C[6,6]C[6]3)(C[6a]C[6a]C)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(C[6]C[6]H)2	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(CHO)	C[6,6a](C[6,6a]C[6a]O[6])(C[6,6]C[6]3)(C[6a]C[6a]C){1|C<4>,1|O<2>,3|C<3>,5|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(C[6]C[6]H)2{2|H<1>,3|O<2>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(CHO){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	122.0710	0.000	1	122.0710	0.000	1	122.0710	0.000	1	122.0710	0.000	1	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	3:4:3:	3:4:3:4:	3:3:1:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-3:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6a]C[6])(C[6,6]C[6,6]C[6]C)(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)(C[6]C[6]O)(CH3)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[5,6a]H)(H)	C[6,6a](C[6,6a]C[5,6a]C[6])(C[6,6]C[6,6]C[6]C)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)(C[6]C[6]O)(CH3){2|C<4>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[5,6a]H)(H){1|O<2>,2|C<3>,3|C<4>}	122.6280	0.000	1	122.6280	0.000	1	123.1890	0.629	2	123.1890	0.629	2	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	3:4:3:	3:4:3:4:	3:3:1:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-3:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]H)(C[6]C[6]O)(CH3)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(C[6a]C[6a]H){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]H)(C[6]C[6]O)(CH3){1|C<4>,4|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	123.7500	0.000	1	123.7500	0.000	1	123.1890	0.629	2	123.1890	0.629	2	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	3:4:3:	3:4:4:1:	3:2:1:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6,6]-4:H-1:	C[6,6a]-3:O[6a]-2:O-1:	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6,6]C[6,6]2H)(C[6a]O[6a]O)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]HH)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(O[6a]C[6a,6a])(O)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6,6]C[6,6]2H)(C[6a]O[6a]O){2|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]HH)(H){1|H<1>,1|O<1>,2|C<3>,3|O<2>,4|C<4>}	C[6a](C[6,6a]C[6,6a]C[6,6])(O[6a]C[6a,6a])(O){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	118.0915	0.207	2	118.0915	0.043	2	118.0915	0.043	2	119.2345	3.724	6	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	3:4:3:	3:4:4:1:	3:2:1:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6a]-3:O[6a]-2:O-1:	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6,6]C[6,6]C[6]H)(C[6a]O[6a]O)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(O[6a]C[6a,6a])(O)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6,6]C[6,6]C[6]H)(C[6a]O[6a]O){2|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H){1|H<1>,1|O<1>,2|C<3>,3|O<2>,4|C<4>}	C[6a](C[6,6a]C[6,6a]C[6,6])(O[6a]C[6a,6a])(O){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	119.6850	3.760	2	119.6850	14.141	2	119.8060	4.887	4	119.2345	3.724	6	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	3:4:3:	3:4:4:1:	3:2:1:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6a]-3:O[6a]-2:O-1:	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6,6]C[6,6]C[6]H)(C[6a]O[6a]O)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]HH)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(O[6a]C[6a,6a])(O)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6,6]C[6,6]C[6]H)(C[6a]O[6a]O){2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>,3|O<2>}	C[6a](C[6,6a]C[6,6a]C[6,6])(O[6a]C[6a,6a])(O){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	120.4070	0.000	1	120.4070	0.000	1	119.8060	4.887	4	119.2345	3.724	6	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	3:4:3:	3:4:4:1:	3:2:1:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6a]-3:O[6a]-2:O-1:	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6,6]C[6,6]C[6]H)(C[6a]O[6a]O)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(O[6a]C[6a,6a])(O)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6,6]C[6,6]C[6]H)(C[6a]O[6a]O){2|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|O<2>,3|H<1>,4|C<4>}	C[6a](C[6,6a]C[6,6a]C[6,6])(O[6a]C[6a,6a])(O){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	119.4470	0.000	1	119.4470	0.000	1	119.8060	4.887	4	119.2345	3.724	6	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	3:4:3:	3:4:4:1:	3:3:1:	C[5,6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]H)	C[6,6](C[6,6a]C[5,6,6a]C[6a])(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(H)	C[6a](C[6,6a]C[5,6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]H){1|N<2>,1|N<4>,2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6a]C[5,6,6a]C[6a])(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(H){3|C<3>,3|C<4>,5|H<1>}	C[6a](C[6,6a]C[5,6,6a]C[6,6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	127.5390	0.000	1	127.5390	0.000	1	127.5390	0.000	1	121.5638	8.597	22	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	3:4:3:	3:4:4:1:	3:3:1:	C[5a,6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]H)	C[6,6](C[6,6a]C[5a,6,6a]C[6a])(C[6,6]C[6]N[6]H)(C[6]C[6a]C[6]H)(H)	C[6a](C[6,6a]C[5a,6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]H){2|C<4>,2|N<3>,3|C<3>,3|H<1>}	C[6,6](C[6,6a]C[5a,6,6a]C[6a])(C[6,6]C[6]N[6]H)(C[6]C[6a]C[6]H)(H){2|C<4>,5|C<3>,5|H<1>}	C[6a](C[6,6a]C[5a,6,6a]C[6,6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	129.1800	0.000	1	129.1800	0.000	1	129.1800	0.000	1	121.5638	8.597	22	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	3:4:3:	3:4:4:1:	3:3:1:	C[6,6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6,6a]C[6,6,6a]C[6,6a])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(H)	C[6a](C[6,6a]C[6,6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6,6a]C[6,6,6a]C[6,6a])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]H){3|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(H){1|C<4>,4|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6,6a]C[6,6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	121.6920	0.092	2	121.6920	0.008	2	121.6920	0.008	2	121.5638	8.597	22	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	3:4:3:	3:4:4:1:	3:3:1:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6,6]HH)(C[6]C[6]HH)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]H){2|C<3>,2|C<4>,7|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6,6]HH)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	119.0850	0.000	1	119.0850	0.000	1	121.6063	4.292	12	121.5638	8.597	22	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	3:4:3:	3:4:4:1:	3:3:1:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]N[6a])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[5,6,6]HH)(C[6]C[5,6,6]HH)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]N[6a])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]H){1|C<3>,1|N<4>,2|C<4>,6|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[5,6,6]HH)(C[6]C[5,6,6]HH)(H){1|C<3>,1|N<2>,3|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|O<2>,3|C<4>}	126.5430	0.000	1	126.5430	0.000	1	121.6063	4.292	12	121.5638	8.597	22	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	3:4:3:	3:4:4:1:	3:3:1:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6a]C[6])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)(C[6]C[6]HO)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[5,6a]H)(H)	C[6,6a](C[6,6a]C[5,6a]C[6])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,2|O<2>,5|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)(C[6]C[6]HO)(H){1|C<4>,4|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[5,6a]H)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	120.0070	0.000	1	120.0070	0.000	1	121.6063	4.292	12	121.5638	8.597	22	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	3:4:3:	3:4:4:1:	3:3:1:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]2H)(C[6]C[6]HH)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]H){1|C<4>,4|C<3>,5|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]2H)(C[6]C[6]HH)(H){3|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	121.9980	0.000	1	121.9980	0.000	1	121.6063	4.292	12	121.5638	8.597	22	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	3:4:3:	3:4:4:1:	3:3:1:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]C)(C[6]C[6]HH)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]H){2|C<4>,4|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]C)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	123.6260	0.000	1	123.6260	0.000	1	121.6063	4.292	12	121.5638	8.597	22	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	3:4:3:	3:4:4:1:	3:3:1:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]H)(C[6]C[5,6]HO)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]H){2|C<4>,2|O<2>,3|C<3>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]H)(C[6]C[5,6]HO)(H){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	120.1960	0.976	3	120.1960	0.952	3	121.6063	4.292	12	121.5638	8.597	22	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	3:4:3:	3:4:4:1:	3:3:1:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]H)(C[6]N[5,6]HH)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<2>,3|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]H)(C[6]N[5,6]HH)(H){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	122.1823	0.391	3	122.1823	0.153	3	121.6063	4.292	12	121.5638	8.597	22	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	3:4:3:	3:4:4:1:	3:3:1:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]HO)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a,6a]H)(H)	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]HO)(H){1|N<2>,1|O<2>,2|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a,6a]H)(H){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	120.8820	0.000	1	120.8820	0.000	1	121.6063	4.292	12	121.5638	8.597	22	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	3:4:3:	3:4:4:1:	3:3:1:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6a]-3:N[6a]-3:O-1:	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6,6]C[6,6]C[6]H)(C[6a]N[6a]O)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]ClH)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(N[6a]C[6a,6a]C)(O)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6,6]C[6,6]C[6]H)(C[6a]N[6a]O){1|Cl<1>,2|C<3>,2|H<1>,4|C<4>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]ClH)(H){1|C<3>,1|N<3>,1|O<1>,2|H<1>,2|O<2>,4|C<4>}	C[6a](C[6,6a]C[6,6a]C[6,6])(N[6a]C[6a,6a]C)(O){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	118.9497	1.239	4	118.9497	1.534	4	119.1707	1.038	6	121.5638	8.597	22	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	3:4:3:	3:4:4:1:	3:3:1:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6a]-3:N[6a]-3:O-1:	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6,6]C[6,6]C[6]H)(C[6a]N[6a]O)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HO)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(N[6a]C[6a,6a]C)(O)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6,6]C[6,6]C[6]H)(C[6a]N[6a]O){1|O<2>,2|C<3>,2|H<1>,4|C<4>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HO)(H){1|C<3>,1|N<3>,1|O<1>,2|H<1>,2|O<2>,4|C<4>}	C[6a](C[6,6a]C[6,6a]C[6,6])(N[6a]C[6a,6a]C)(O){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	119.6125	0.025	2	119.6125	0.001	2	119.1707	1.038	6	121.5638	8.597	22	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	3:4:3:	3:4:4:1:	3:3:3:	C[6a]-3:C[6,6]-4:C[6,6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6a,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6a]C[6a,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6,6a]N[6a]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6,6a]HH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]2)	C[6,6a](C[6a]C[6a,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6,6a]N[6a]C[6]){1|C<4>,5|C<3>,6|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6,6a]HH)(H){1|C<4>,1|H<1>,2|N<2>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]2){1|N<2>,3|C<4>,4|C<3>,4|H<1>}	121.3865	0.168	4	121.3865	0.028	4	121.3865	0.028	4	121.3865	0.028	4	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	3:4:3:	3:4:4:2:	3:3:1:	C[5a,6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6,6]C[6,6]C[6]O)(C[6a]C[6a]H)	C[6,6](C[6,6a]C[5a,6,6a]C[6a])(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(OC)	C[6a](C[6,6a]C[5a,6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6,6]C[6,6]C[6]O)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|N<3>,4|H<1>}	C[6,6](C[6,6a]C[5a,6,6a]C[6a])(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(OC){3|C<3>,3|C<4>,4|H<1>}	C[6a](C[6,6a]C[5a,6,6a]C[6,6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	127.9465	0.115	2	127.9465	0.013	2	127.9465	0.013	2	123.5576	13.733	7	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	3:4:3:	3:4:4:2:	3:3:1:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6]-4:O[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6,6]C[6]2O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)2(O[6]C[6,6])	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6,6]C[6]2O[6])(C[6a]C[6a]H){2|C<3>,3|C<4>,7|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)2(O[6]C[6,6]){3|C<3>,3|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,4|C<4>}	119.4250	0.000	1	119.4250	0.000	1	122.3928	7.157	4	123.5576	13.733	7	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	3:4:3:	3:4:4:2:	3:3:1:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6]-4:O[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6,6]C[6]2O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)2(O[6]O[6])	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6,6]C[6]2O[6])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,6|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)2(O[6]O[6]){2|C<3>,2|C<4>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	120.8950	0.000	1	120.8950	0.000	1	122.3928	7.157	4	123.5576	13.733	7	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	3:4:3:	3:4:4:2:	3:3:1:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6]-4:O[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6,6]C[6]2O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(C[6]C[6]HO)(O[6]C[6])	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6,6]C[6]2O[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(C[6]C[6]HO)(O[6]C[6]){1|C<4>,1|N<3>,1|O<1>,2|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	125.0990	0.000	1	125.0990	0.000	1	122.3928	7.157	4	123.5576	13.733	7	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	3:4:3:	3:4:4:2:	3:3:1:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6]-4:O[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6,6]C[6]2O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(C[6]N[6]HH)(O[6]C[6])	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6,6]C[6]2O[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,7|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(C[6]N[6]HH)(O[6]C[6]){1|C<4>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	124.1520	0.000	1	124.1520	0.000	1	122.3928	7.157	4	123.5576	13.733	7	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	3:4:3:	3:4:4:2:	3:3:1:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6]-4:S[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6,6]C[6]2S[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(C[6]C[6]HH)(S[6]C[6])	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6,6]C[6]2S[6])(C[6a]C[6a]H){2|C<3>,3|C<4>,7|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(C[6]C[6]HH)(S[6]C[6]){1|C<4>,1|N<2>,1|N<3>,2|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<2>,3|C<4>}	119.4390	0.000	1	119.4390	0.000	1	119.4390	0.000	1	123.5576	13.733	7	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	3:4:3:	3:4:4:3:	3:3:1:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6]-4:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6,6]C[6]3)(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)2(C[6]N[6]O)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6,6]C[6]3)(C[6a]C[6a]H){1|N<3>,2|O<1>,3|C<3>,6|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)2(C[6]N[6]O){2|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	120.9015	0.005	2	120.9015	0.000	2	120.6660	3.143	4	120.6660	3.143	4	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	3:4:3:	3:4:4:3:	3:3:1:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6]-4:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6,6]C[6]3)(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)2(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6,6]C[6]3)(C[6a]C[6a]H){1|O<1>,2|C<3>,3|C<4>,6|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)2(C[6]C[6]O){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	122.5760	0.000	1	122.5760	0.000	1	120.6660	3.143	4	120.6660	3.143	4	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	3:4:3:	3:4:4:3:	3:3:1:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6]-4:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]P[6])(C[6,6]C[6]3)(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)2(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]P[6])(C[6,6]C[6]3)(C[6a]C[6a]H){1|O<1>,2|C<4>,3|C<3>,7|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)2(C[6]C[6]H){1|C<4>,1|P<4>,2|C<3>,6|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|H<1>,1|P<4>,2|C<3>,2|C<4>}	118.2850	0.000	1	118.2850	0.000	1	120.6660	3.143	4	120.6660	3.143	4	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	3:4:3:	3:4:4:4:	3:3:1:	C[6,6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6,6]C[6,6]C[6]C)(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6a](C[6,6a]C[6,6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6,6]C[6,6]C[6]C)(C[6a]C[6a]H){1|C<3>,1|O<2>,4|C<4>,5|H<1>}	C[6,6](C[6,6a]C[6,6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,4|C<4>,5|H<1>}	C[6a](C[6,6a]C[6,6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,4|C<4>}	123.7430	0.000	1	123.7430	0.000	1	123.7430	0.000	1	119.4198	2.635	14	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	3:4:3:	3:4:4:4:	3:3:1:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6a]C[6])(C[6,6]C[6,6]C[6]C)(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)(C[6]C[6]HO)(CH3)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[5,6a]H)(H)	C[6,6a](C[6,6a]C[5,6a]C[6])(C[6,6]C[6,6]C[6]C)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)(C[6]C[6]HO)(CH3){1|O<2>,2|C<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[5,6a]H)(H){1|C<3>,1|O<2>,4|C<4>}	120.3510	0.000	1	120.3510	0.000	1	118.9306	1.093	10	119.4198	2.635	14	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	3:4:3:	3:4:4:4:	3:3:1:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6,6]C[6,6]C[6]C)(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[5a,6a]Br)(H)	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6,6]C[6,6]C[6]C)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|N<2>,3|C<4>,5|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){3|C<3>,3|C<4>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[5a,6a]Br)(H){1|C<3>,1|N<2>,4|C<4>}	119.6650	0.000	1	119.6650	0.000	1	118.9306	1.093	10	119.4198	2.635	14	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	3:4:3:	3:4:4:4:	3:3:1:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6,6]C[6,6]C[6]C)(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]HH)(C[6]C[6]HH)(CH3)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6,6]C[6,6]C[6]C)(C[6a]C[6a]H){1|C<3>,3|C<4>,7|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]HH)(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,4|C<4>}	120.8570	0.000	1	120.8570	0.000	1	118.9306	1.093	10	119.4198	2.635	14	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	3:4:3:	3:4:4:4:	3:3:1:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6,6]C[6,6]C[6]C)(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a,6a]H)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6,6]C[6,6]C[6]C)(C[6a]C[6a]H){2|C<3>,3|C<4>,6|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(CH3){1|N<3>,2|C<3>,2|C<4>,6|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a,6a]H)(H){2|C<3>,4|C<4>}	118.9900	0.000	1	118.9900	0.000	1	118.9306	1.093	10	119.4198	2.635	14	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	3:4:3:	3:4:4:4:	3:3:1:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6,6]C[6,6]C[6]C)(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a,6a]H)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6,6]C[6,6]C[6]C)(C[6a]C[6a]H){2|C<3>,3|C<4>,6|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){2|C<3>,4|C<4>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a,6a]H)(H){2|C<3>,4|C<4>}	118.0405	0.005	4	118.0405	0.000	4	118.9306	1.093	10	119.4198	2.635	14	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	3:4:3:	3:4:4:4:	3:3:1:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6,6]C[6,6]C[6]C)(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a,6a]H)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6,6]C[6,6]C[6]C)(C[6a]C[6a]H){2|C<3>,3|C<4>,6|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,4|C<4>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a,6a]H)(H){2|C<3>,4|C<4>}	118.6405	0.476	2	118.6405	0.226	2	118.9306	1.093	10	119.4198	2.635	14	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	3:4:3:	3:4:4:4:	3:3:1:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6]-4:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6,6]C[6]3)(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(C[6]C[6]HH)2	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6,6]C[6]3)(C[6a]C[6a]H){1|C<3>,1|O<2>,3|C<4>,9|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(C[6]C[6]HH)2{2|C<3>,3|C<4>,6|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,4|C<4>}	118.2270	0.000	1	118.2270	0.000	1	119.6093	1.615	3	119.4198	2.635	14	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	3:4:3:	3:4:4:4:	3:3:1:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6]-4:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6,6]C[6]3)(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)2(C[6]N[6]HH)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6,6]C[6]3)(C[6a]C[6a]H){10|H<1>,1|C<3>,1|N<3>,2|C<4>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)2(C[6]N[6]HH){1|C<4>,1|O<2>,1|S<4>,3|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,4|C<4>}	120.3005	0.603	2	120.3005	0.364	2	119.6093	1.615	3	119.4198	2.635	14	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	3:4:3:	3:4:4:4:	3:3:2:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6]-4:C[6]-4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6,6]C[6]3)(C[6a]C[6a]O)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)2(C[6]N[6]HH)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6,6]C[6]3)(C[6a]C[6a]O){10|H<1>,1|C<4>,1|N<3>,2|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)2(C[6]N[6]HH){1|C<4>,1|O<2>,1|S<4>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(OC){1|C<3>,1|O<2>,4|C<4>}	122.0690	0.000	1	122.0690	0.000	1	122.0690	0.000	1	122.0690	0.000	1	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	3:4:3:	4:3:2:1:	3:3:1:	C[6,6a,6a]-3:C[6,6]-4:C[6a]-3:	C[5,6,6]-4:C[6,6a]-3:O[6]-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6,6]C[5,6,6]O[6]H)(C[6a]C[6a]H)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6a]C[6,6a,6a]C[6a])(O[6]C[6])(H)	C[6a](C[6,6a]C[6,6a,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6,6]C[5,6,6]O[6]H)(C[6a]C[6a]H){1|H<1>,3|C<3>,4|C<4>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6a]C[6,6a,6a]C[6a])(O[6]C[6])(H){1|O<2>,2|C<4>,3|C<3>,8|H<1>}	C[6a](C[6,6a]C[6,6a,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.8440	0.000	1	120.8440	0.000	1	120.8440	0.000	1	120.8440	0.000	1	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	3:4:3:	4:3:4:1:	3:3:1:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[3x6]-4:C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6,6]C[3x6]C[6]H)(C[6a]C[6a]H)	C[6,6](C[3x6]C[6,6]C[6]O[6])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6,6]C[3x6]C[6]H)(C[6a]C[6a]H){1|C<3>,1|O<2>,4|H<1>,5|C<4>}	C[6,6](C[3x6]C[6,6]C[6]O[6])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H){2|C<3>,3|C<4>,7|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	119.4540	0.000	1	119.4540	0.000	1	119.4540	0.000	1	120.3530	1.616	2	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	3:4:3:	4:3:4:1:	3:3:1:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[5,6,6]-4:C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,5,6]C[6a])(C[6,6]C[5,6,6]C[6]H)(C[6a]C[6a]H)	C[6,6](C[5,6,6]O[5,6]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]H)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,5,6]C[6a])(C[6,6]C[5,6,6]C[6]H)(C[6a]C[6a]H){2|C<3>,2|O<2>,3|H<1>,4|C<4>}	C[6,6](C[5,6,6]O[5,6]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]H)(H){3|C<4>,4|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	121.2520	0.000	1	121.2520	0.000	1	121.2520	0.000	1	120.3530	1.616	2	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:2:2:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:O[6,6]-2:O[6]-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]O[6,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6,6]C[6,6])(O[6]C[6,6a])(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]O[6,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6,6]C[6,6])(O[6]C[6,6a])(H){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){2|C<3>,2|H<1>,2|O<2>}	120.5465	0.279	2	120.2983	0.224	3	119.8418	0.983	4	119.8418	0.983	4	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:2:2:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:O[6,6]-2:O[6]-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]O[6,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6,6]C[6,6])(O[6]C[6,6a])(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]O[6,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6,6]C[6,6])(O[6]C[6,6a])(H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	119.8020	0.000	1	120.2983	0.224	3	119.8418	0.983	4	119.8418	0.983	4	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:2:2:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:O[6,6]-2:O[6]-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]O[6,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6,6]C[6,6])(O[6]N[6])(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]O[6,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<2>,1|O<2>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6,6]C[6,6])(O[6]N[6])(H){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	118.4720	0.000	1	118.4720	0.000	1	119.8418	0.983	4	119.8418	0.983	4	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:2:2:1:	3:3:3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:O[6,6]-2:O[6]-2:H-1:	C[6,6a]-3:C[6a]-3:C[6a]-3:	C[6,6a](C[6,6]O[6,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]2)	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6,6]C[6,6])(O[6]N[6])(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6,6a](C[6,6]O[6,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]2){1|C<4>,1|N<2>,1|O<2>,3|C<3>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6,6]C[6,6])(O[6]N[6])(H){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>,3|O<2>}	120.9340	0.000	1	120.9340	0.000	1	120.9340	0.000	1	122.7740	6.771	2	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:2:2:1:	3:3:3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:O[6,6]-2:O[6]-2:H-1:	C[6,6a]-3:C[6a]-3:N-3:	C[6,6a](C[6,6]O[6,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]N)	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6,6]C[6,6])(O[6]N[6])(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(NOO)	C[6,6a](C[6,6]O[6,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]N){1|C<3>,1|C<4>,1|N<2>,1|O<2>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6,6]C[6,6])(O[6]N[6])(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(NOO){1|C<3>,1|C<4>,1|H<1>,3|O<2>}	124.6140	0.000	1	124.6140	0.000	1	124.6140	0.000	1	122.7740	6.771	2	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:2:2:4:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:O[6,6]-2:O[6]-2:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]O[6,6]O[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6,6]C[6,6])(O[6]C[6,6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]O[6,6]O[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6,6]C[6,6])(O[6]C[6,6a])(CH3){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	121.0410	0.055	3	120.8374	0.111	5	120.9570	0.174	6	120.9570	0.174	6	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:2:2:4:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:O[6,6]-2:O[6]-2:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]O[6,6]O[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6,6]C[6,6])(O[6]C[6,6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]O[6,6]O[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6,6]C[6,6])(O[6]C[6,6a])(CH3){2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	120.7830	0.000	1	120.8374	0.111	5	120.9570	0.174	6	120.9570	0.174	6	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:2:2:4:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:O[6,6]-2:O[6]-2:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]O[6,6]O[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6,6]C[6,6])(O[6]C[6,6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]O[6,6]O[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,2|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6,6]C[6,6])(O[6]C[6,6a])(CH3){1|H<1>,2|C<4>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	120.2810	0.000	1	120.8374	0.111	5	120.9570	0.174	6	120.9570	0.174	6	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:2:2:4:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:O[6,6]-2:O[6]-2:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]O[6,6]O[6]C)(C[6,6a]N[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6,6]C[6,6])(O[6]C[6,6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]C)(H)	C[6,6a](C[6,6]O[6,6]O[6]C)(C[6,6a]N[6a]C[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6,6]C[6,6])(O[6]C[6,6a])(CH3){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]C)(H){1|N<2>,2|O<2>,3|C<4>}	121.5550	0.000	1	121.5550	0.000	1	120.9570	0.174	6	120.9570	0.174	6	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:2:3:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:O[6,6]-2:N[6]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]O[6,6]N[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6,6]C[6,6])(N[6]C[6]N)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]O[6,6]N[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6,6]C[6,6])(N[6]C[6]N)(H){1|H<1>,1|O<2>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|H<1>,2|O<2>}	121.9030	0.000	1	121.9030	0.000	1	121.9030	0.000	1	121.9030	0.000	1	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:2:3:2:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:O[6,6]-2:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]O[6,6]C[6a]O[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6,6]C[6,6])(C[6a]C[6a]2)(O[6]N[6])	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]O[6,6]C[6a]O[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<2>,1|O<2>,3|C<3>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6,6]C[6,6])(C[6a]C[6a]2)(O[6]N[6]){1|C<4>,4|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|O<2>}	120.4435	0.200	2	120.4435	0.040	2	120.4435	0.040	2	120.4435	0.040	2	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:2:4:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:O[6,6]-2:C[6]-4:H-1:	C[6,6a]-3:C[5,6a]-3:H-1:	C[6,6a](C[6,6]O[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6,6]C[6,6])(C[6]C[6]HH)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[5,6a]C[5,6a]O[5])(H)	C[6,6a](C[6,6]O[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6,6]C[6,6])(C[6]C[6]HH)(H){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[5,6a]C[5,6a]O[5])(H){1|C<3>,1|H<1>,2|O<2>,3|C<4>}	118.0130	0.000	1	118.0130	0.000	1	118.0130	0.000	1	119.4833	1.852	3	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:2:4:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:O[6,6]-2:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]O[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6,6]C[6,6])(C[6]C[6]HH)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]O[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6,6]C[6,6])(C[6]C[6]HH)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	120.6990	0.000	1	120.2185	0.462	2	120.2185	0.462	2	119.4833	1.852	3	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:2:4:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:O[6,6]-2:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]O[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6,6]C[6,6])(C[6]C[6]HH)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]O[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,2|C<3>,6|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6,6]C[6,6])(C[6]C[6]HH)(H){1|H<1>,2|C<4>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	119.7380	0.000	1	120.2185	0.462	2	120.2185	0.462	2	119.4833	1.852	3	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:3:2:1:	3:2:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O[6,6]-2:H-1:	C[6,6a]-3:O[6a]-2:O-1:	C[6,6a](C[6,6]C[6,6a]O[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]O[6a]O)	C[6,6](C[6,6a]C[6,6a]C[6a])2(O[6,6]C[6,6])(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(O[6a]C[6a])(O)	C[6,6a](C[6,6]C[6,6a]O[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]O[6a]O){1|C<4>,1|H<1>,3|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])2(O[6,6]C[6,6])(H){1|H<1>,1|O<1>,2|C<4>,2|O<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(O[6a]C[6a])(O){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	122.9070	0.000	1	122.9070	0.000	1	122.9070	0.000	1	122.9070	0.000	1	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O[6,6]-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[6,6a]O[6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])2(O[6,6]C[6,6])(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6]C[6,6a]O[6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])2(O[6,6]C[6,6])(H){1|H<1>,1|O<1>,2|C<4>,2|O<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	120.1040	0.000	1	120.1040	0.000	1	120.1040	0.000	1	120.0466	3.106	17	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:O[6,6]-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]O[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(O[6,6]C[6,6])(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]O[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(O[6,6]C[6,6])(H){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){2|C<3>,2|H<1>,2|O<2>}	122.8390	0.000	1	122.8390	0.000	1	122.8390	0.000	1	120.0466	3.106	17	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6,6]-3:O[6]-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]N[6,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(O[6]C[6])(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]N[6,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(O[6]C[6])(H){3|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	122.9740	0.000	1	122.9740	0.000	1	119.8646	3.929	11	120.0466	3.106	17	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6,6]-3:O[6]-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]N[6,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(O[6]C[6,6a])(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]N[6,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(O[6]C[6,6a])(H){1|C<4>,4|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	119.6060	0.008	2	119.6060	0.000	2	119.8646	3.929	11	120.0466	3.106	17	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6,6]-3:O[6]-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]N[6,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]N[6])(O[6]C[5,6])(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]N[6,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|F<1>,1|N<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]N[6])(O[6]C[5,6])(H){1|S<4>,3|C<3>,3|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	117.9900	1.324	2	117.8127	1.498	4	119.8646	3.929	11	120.0466	3.106	17	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6,6]-3:O[6]-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]N[6,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]N[6])(O[6]C[5,6])(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]N[6,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]N[6])(O[6]C[5,6])(H){1|S<4>,3|C<3>,3|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	117.6355	1.617	2	117.8127	1.498	4	119.8646	3.929	11	120.0466	3.106	17	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6,6]-3:O[6]-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]N[6,6]O[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C)(O[6]C[6,6a])(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]N[6,6]O[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C)(O[6]C[6,6a])(H){1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|H<1>,2|O<2>}	121.5300	0.045	2	121.5300	0.002	2	119.8646	3.929	11	120.0466	3.106	17	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6,6]-3:O[6]-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]N[6,6]O[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6a])(O[6]C[6,6a])(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]N[6,6]O[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6a])(O[6]C[6,6a])(H){1|O<2>,2|H<1>,2|N<2>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|H<1>,2|O<2>}	121.0070	0.004	2	121.0070	0.000	2	119.8646	3.929	11	120.0466	3.106	17	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6,6]-3:S[6]-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]N[6,6]S[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(S[6]C[6,6a])(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]N[6,6]S[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(S[6]C[6,6a])(H){1|C<4>,4|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<2>,1|S<2>}	119.6930	0.458	2	119.4740	0.249	3	119.4740	0.249	3	120.0466	3.106	17	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6,6]-3:S[6]-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]N[6,6]S[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(S[6]C[6,6a])(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]N[6,6]S[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(S[6]C[6,6a])(H){1|C<4>,4|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|S<2>,2|H<1>}	119.0360	0.000	1	119.4740	0.249	3	119.4740	0.249	3	120.0466	3.106	17	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	N[5,6,6]-3:C[6,6a]-3:O[6]-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]N[5,6,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](N[5,6,6]C[5,6,6]N[5])(C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]N[5,6,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6,6](N[5,6,6]C[5,6,6]N[5])(C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H){1|S<4>,2|C<4>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	120.9160	0.000	1	120.9160	0.000	1	120.9160	0.000	1	120.0466	3.106	17	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:3:2:2:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-3:O[6]-2:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[6,6]O[6]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(O[6]C[6,6a])(OC)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]C[6,6]O[6]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(O[6]C[6,6a])(OC){1|O<1>,2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|H<1>,2|O<2>,3|C<3>}	121.2365	0.698	2	121.2365	0.487	2	121.2365	0.487	2	121.2365	0.487	2	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:3:2:3:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O[6]-2:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[6,6a]C[6]O[6])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])2(O[6]C[6,6a])(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]C[6,6a]C[6]O[6])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H){1|O<1>,3|H<1>,5|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])2(O[6]C[6,6a])(C[6]C[6]H){1|S<3>,3|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,1|S<3>,3|C<3>}	123.0077	0.339	6	123.0077	0.115	6	123.0077	0.115	6	123.0077	0.115	6	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:3:2:4:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O[6,6]-2:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[6,6a]O[6,6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])2(O[6,6]C[6,6])(CF3)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]C[6,6a]O[6,6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])2(O[6,6]C[6,6])(CF3){2|C<4>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	122.7570	3.244	2	122.7570	10.525	2	122.7570	10.525	2	122.6330	1.651	8	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:3:2:4:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:O[6,6]-2:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]O[6,6]C[6]C)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(O[6,6]C[6,6])(CCHH)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]O[6,6]C[6]C)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(O[6,6]C[6,6])(CCHH){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|O<2>}	123.2680	0.000	1	123.2680	0.000	1	122.5917	0.198	6	122.6330	1.651	8	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:3:2:4:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:O[6,6]-2:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]O[6,6]C[6]C)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(O[6,6]C[6,6])(CH3)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]O[6,6]C[6]C)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(O[6,6]C[6,6])(CH3){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	122.2237	0.121	3	122.4564	0.111	5	122.5917	0.198	6	122.6330	1.651	8	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:3:2:4:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:O[6,6]-2:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]O[6,6]C[6]C)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(O[6,6]C[6,6])(CH3)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]O[6,6]C[6]C)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(O[6,6]C[6,6])(CH3){1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	122.8055	0.083	2	122.4564	0.111	5	122.5917	0.198	6	122.6330	1.651	8	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[5a,6]-3:C[6,6a]-3:N[6,6]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[5a,6]N[6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6]C[5a,6]N[6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(H){2|C<4>,4|C<3>,6|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	119.3150	0.000	1	119.3150	0.000	1	121.8107	8.625	3	121.0457	4.642	41	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[5a,6]-3:C[6,6a]-3:N[6,6]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[5a,6]N[6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[5a,6]C[5a,6a]N[5a,6])(C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]Br)(H)	C[6,6a](C[6,6]C[5a,6]N[6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6,6](C[5a,6]C[5a,6a]N[5a,6])(C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(H){1|C<4>,1|N<2>,3|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]Br)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	121.0700	0.000	1	121.0700	0.000	1	121.8107	8.625	3	121.0457	4.642	41	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[5a,6]-3:C[6,6a]-3:N[6,6]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[5a,6]N[6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[5a,6]N[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]C[5a,6]N[6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,3|H<1>,4|C<3>}	C[6,6](C[5a,6]N[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(H){2|H<1>,8|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|N<3>,2|H<1>,3|C<3>}	125.0470	0.000	1	125.0470	0.000	1	121.8107	8.625	3	121.0457	4.642	41	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-3:N[6,6]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[6,6]N[6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(N[6,6]C[6,6]C)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]C[6,6]N[6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|Br<1>,2|C<4>,3|C<3>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(N[6,6]C[6,6]C)(H){1|N<3>,1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	120.7460	0.000	1	120.7460	0.000	1	120.7460	0.000	1	121.0457	4.642	41	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-3:N[6]-3:H-1:	C[6,6a]-3:C[5,6a]-3:H-1:	C[6,6a](C[6,6]C[6,6]N[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6])(N[6]C[6]C)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[5,6a]C[5,6a]O[5])(H)	C[6,6a](C[6,6]C[6,6]N[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6])(N[6]C[6]C)(H){1|C<4>,4|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[5,6a]C[5,6a]O[5])(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>,2|C<4>}	121.5910	0.000	1	121.5910	0.000	1	121.5910	0.000	1	121.0457	4.642	41	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-3:N[6]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[6,6]N[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6])(N[6]C[6]S)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]C[6,6]N[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|S<3>,2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6])(N[6]C[6]S)(H){1|C<4>,1|O<2>,3|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	124.6635	0.745	2	124.6635	0.554	2	124.6635	0.554	2	121.0457	4.642	41	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:N[6,6]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])2(N[6,6]P[6,6]C[5])(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|P<3>,2|H<1>,3|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])2(N[6,6]P[6,6]C[5])(H){1|C<4>,2|O<2>,3|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	120.9130	0.165	2	120.9130	0.027	2	121.3350	1.346	7	121.0457	4.642	41	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:N[6,6]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])2(N[6,6]P[6,6]C[6])(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|P<3>,2|H<1>,3|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])2(N[6,6]P[6,6]C[6])(H){1|C<4>,2|O<2>,3|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	121.4345	0.076	2	121.4345	0.006	2	121.3350	1.346	7	121.0457	4.642	41	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:N[6,6]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])2(N[6,6]P[6,6]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|P<3>,2|H<1>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])2(N[6,6]P[6,6]C[6a])(H){2|H<1>,2|O<2>,6|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	120.9635	2.337	2	120.9635	5.462	2	121.3350	1.346	7	121.0457	4.642	41	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:N[6,6]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]S[6])(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|S<4>,2|H<1>,3|C<3>}	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]S[6])(H){2|O<1>,2|O<2>,3|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	122.7230	0.000	1	122.7230	0.000	1	121.3350	1.346	7	121.0457	4.642	41	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[5a,6]-3:C[6,6]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]N[5a,6]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]N[5a,6]C[5a])(C[6,6]C[6]2)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]N[5a,6]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]N[5a,6]C[5a])(C[6,6]C[6]2)(H){1|N<3>,1|O<1>,1|O<2>,2|H<1>,3|C<3>,3|C<4>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|O<2>}	126.3070	0.000	1	126.3070	0.000	1	126.3070	0.000	1	121.0457	4.642	41	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6,6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C)(C[6]N[6]O)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C)(C[6]N[6]O)(H){2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	122.0320	0.000	1	122.0320	0.000	1	122.4895	3.257	4	121.0457	4.642	41	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6,6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]C)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]C)(H){1|C<4>,1|O<2>,2|C<2>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|N<3>,2|H<1>,3|C<3>}	121.3920	0.344	2	121.3920	0.118	2	122.4895	3.257	4	121.0457	4.642	41	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6,6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]C)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|N<2>,1|S<1>,2|C<3>,2|N<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	125.1420	0.000	1	125.1420	0.000	1	122.4895	3.257	4	121.0457	4.642	41	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6,6]-3:N[6]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]N[6,6]N[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(N[6]C[6]C)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]N[6,6]N[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(N[6]C[6]C)(H){1|C<4>,4|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|N<3>}	118.4340	0.000	1	120.5340	3.311	3	120.0076	2.923	22	121.0457	4.642	41	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6,6]-3:N[6]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]N[6,6]N[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(N[6]C[6]C)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]N[6,6]N[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(N[6]C[6]C)(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|N<3>}	121.5840	0.078	2	120.5340	3.311	3	120.0076	2.923	22	121.0457	4.642	41	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6,6]-3:N[6]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]N[6,6]N[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(N[6]C[6]N)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]N[6,6]N[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|I<1>,1|N<3>,2|H<1>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(N[6]C[6]N)(H){1|H<1>,1|O<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){2|C<3>,2|H<1>,2|N<3>}	119.2100	0.030	2	119.2100	0.001	2	120.0076	2.923	22	121.0457	4.642	41	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6,6]-3:N[6]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]N[6,6]N[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(N[6]C[6]N[6])(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]N[6,6]N[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(N[6]C[6]N[6])(H){1|O<1>,2|C<4>,3|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|N<3>}	118.9555	0.907	2	118.9555	0.823	2	120.0076	2.923	22	121.0457	4.642	41	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6,6]-3:N[6]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]N[6,6]N[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(N[6]C[6a]C[6])(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]N[6,6]N[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(N[6]C[6a]C[6])(H){1|C<4>,5|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|N<3>}	120.4300	0.000	1	120.4300	0.000	1	120.0076	2.923	22	121.0457	4.642	41	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6,6]-3:N[6]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]N[6,6]N[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(N[6]S[6]H)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]N[6,6]N[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|S<4>,2|C<3>,5|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(N[6]S[6]H)(H){1|C<4>,2|O<1>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|N<3>}	118.2770	0.000	1	118.2770	0.000	1	120.0076	2.923	22	121.0457	4.642	41	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6,6]-3:N[6]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]N[6,6]N[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(N[6]C[6]H)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]N[6,6]N[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){4|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(N[6]C[6]H)(H){1|O<1>,2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){2|C<3>,2|H<1>,2|N<3>}	118.5040	0.000	1	118.5040	0.000	1	120.0076	2.923	22	121.0457	4.642	41	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6,6]-3:N[6]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]N[6,6]N[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]N[6])(N[6]C[6]S)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]N[6,6]N[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|S<4>,2|C<4>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]N[6])(N[6]C[6]S)(H){2|C<4>,3|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|N<3>}	117.7025	0.441	2	117.7025	0.194	2	120.0076	2.923	22	121.0457	4.642	41	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6,6]-3:N[6]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]N[6,6]N[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]O[6])(N[6]C[6]O)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]N[6,6]N[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|O<2>,3|C<3>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]O[6])(N[6]C[6]O)(H){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){2|C<3>,2|H<1>,2|N<3>}	125.2030	0.000	1	125.2030	0.000	1	120.0076	2.923	22	121.0457	4.642	41	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6,6]-3:N[6]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]N[6,6]N[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]N[5a,6]C[6])(N[6]C[6]H)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]N[6,6]N[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,3|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]N[5a,6]C[6])(N[6]C[6]H)(H){1|H<1>,1|O<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){2|C<3>,2|H<1>,2|N<3>}	120.3930	0.000	1	120.3930	0.000	1	120.0076	2.923	22	121.0457	4.642	41	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6,6]-3:N[6]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]N[6,6]N[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C)(N[6]C[6,6a]C)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]N[6,6]N[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){2|C<3>,2|H<1>,4|C<4>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C)(N[6]C[6,6a]C)(H){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|N<3>}	120.2030	0.484	2	120.2030	0.234	2	120.0076	2.923	22	121.0457	4.642	41	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6,6]-3:N[6]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]N[6,6]N[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C)(N[6]C[6,6a]H)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]N[6,6]N[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C)(N[6]C[6,6a]H)(H){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|N<3>}	120.7350	0.426	4	120.7350	0.182	4	120.0076	2.923	22	121.0457	4.642	41	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6,6]-3:N[6]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]N[6,6]N[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(N[6]C[6]H)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]N[6,6]N[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(N[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<2>,1|O<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,2|H<1>,2|N<3>}	121.5710	0.000	1	121.5710	0.000	1	120.0076	2.923	22	121.0457	4.642	41	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6,6]-3:N[6]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]N[6,6]N[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(N[6]C[6]H)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6]N[6,6]N[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(N[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<2>,1|O<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(H){1|C<3>,1|N<2>,2|H<1>,2|N<3>}	119.1050	0.000	1	119.1050	0.000	1	120.0076	2.923	22	121.0457	4.642	41	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:3:3:1:	3:3:2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6]C[6,6,6a]C[6,6a]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]O)	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6,6a]C[6,6a]2)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6]C[6,6,6a]C[6,6a]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]O){2|H<1>,5|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6,6a]C[6,6a]2)(H){4|O<2>,6|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(OC){1|O<2>,2|H<1>,3|C<3>}	124.8865	5.847	2	124.8865	34.188	2	123.6770	21.483	3	123.6770	21.483	3	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:3:3:1:	3:3:2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6]C[6,6,6a]C[6,6a]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]O)	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6,6,6a]C[6,6a]2)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6]C[6,6,6a]C[6,6a]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]O){2|H<1>,5|C<3>}	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6,6,6a]C[6,6a]2)(H){1|N<3>,2|O<2>,7|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(OC){1|O<2>,2|H<1>,3|C<3>}	121.2580	0.000	1	121.2580	0.000	1	123.6770	21.483	3	123.6770	21.483	3	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:3:3:2:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[6,6]C[6a]O[6])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(C[6a]C[6a]2)(O[6]C[6,6a])	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]C[6,6]C[6a]O[6])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(C[6a]C[6a]2)(O[6]C[6,6a]){1|O<2>,6|C<3>,6|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|H<1>,2|O<2>,3|C<3>}	121.7010	0.000	1	121.7010	0.000	1	121.7010	0.000	1	121.7772	0.235	4	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:3:3:2:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6,6]-3:O[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[6,6a]C[6,6]O[6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O[6]C[6,6a])	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]C[6,6a]C[6,6]O[6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,6|C<3>}	C[6,6](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O[6]C[6,6a]){1|C<2>,1|N<3>,3|H<1>,7|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	121.5530	0.000	1	121.5530	0.000	1	121.5530	0.000	1	121.7772	0.235	4	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:3:3:2:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:N[5,6]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[6,6a]N[5,6]N[6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])2(N[5,6]C[5,6]C[5])(N[6]C[6])	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]C[6,6a]N[5,6]N[6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,3|H<1>,5|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])2(N[5,6]C[5,6]C[5])(N[6]C[6]){1|C<4>,1|N<2>,3|N<3>,4|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>,2|N<3>}	121.9275	0.777	2	121.9275	0.604	2	121.9275	0.604	2	121.7772	0.235	4	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-3:C[6]-3:N-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[6,6]C[6]N)(C[6,6a]N[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O)(C[6]C[6]H)(NCH)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]C[6,6]C[6]N)(C[6,6a]N[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O)(C[6]C[6]H)(NCH){1|C<3>,1|N<2>,2|H<1>,3|C<4>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<4>,1|N<2>,1|N<3>,1|O<2>,2|C<3>}	120.9350	0.000	1	120.9350	0.000	1	120.9350	0.000	1	120.9333	4.421	9	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[6,6a]2N[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])3(N[6]N[6]H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]C[6,6a]2N[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])3(N[6]N[6]H){1|O<2>,3|H<1>,8|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	121.5180	1.121	2	121.5180	1.258	2	121.9983	1.312	6	120.9333	4.421	9	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[6,6a]2N[6])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])3(N[6]N[6]H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]C[6,6a]2N[6])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|N<3>,3|H<1>,5|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])3(N[6]N[6]H){1|O<2>,3|H<1>,8|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|O<2>,2|N<3>,3|C<3>}	122.2385	1.240	4	122.2385	1.537	4	121.9983	1.312	6	120.9333	4.421	9	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:N[5a,6]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[6,6a]N[5a,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6]C[5a])(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]C[6,6a]N[5a,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,3|H<1>,6|C<3>}	C[6,6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6]C[5a])(C[6]C[6]H){1|N<2>,3|H<1>,8|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	118.6250	0.000	1	118.6250	0.000	1	118.6250	0.000	1	120.9333	4.421	9	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:N[6,6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]N[6,6]C[6a]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]O)(C[6a]C[6a]2)(N[6,6]C[6]2)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6]N[6,6]C[6a]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]O)(C[6a]C[6a]2)(N[6,6]C[6]2){1|O<1>,3|C<4>,4|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(H){1|C<4>,1|N<3>,1|O<2>,3|C<3>}	116.8500	0.000	1	116.8500	0.000	1	116.8500	0.000	1	120.9333	4.421	9	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:3:3:4:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[5a,6]-3:C[6,6a]-3:N[6,6]-3:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[5a,6]N[6,6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(CH3)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]C[5a,6]N[6,6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(CH3){1|O<1>,2|C<4>,4|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	123.5070	0.000	1	123.5070	0.000	1	123.5070	0.000	1	122.0911	2.066	17	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:3:3:4:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[6,6a]2C[6,6])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])3(C[6,6]C[6,6a]3)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]C[6,6a]2C[6,6])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H){1|Br<1>,1|H<1>,9|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])3(C[6,6]C[6,6a]3){12|C<3>,1|O<2>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,4|C<3>}	121.1785	0.163	2	121.3138	0.129	5	122.2619	1.056	15	122.0911	2.066	17	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:3:3:4:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[6,6a]2C[6,6])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])3(C[6,6]C[6,6a]3)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]C[6,6a]2C[6,6])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,9|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])3(C[6,6]C[6,6a]3){12|C<3>,1|N<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,4|C<3>}	121.2050	0.000	1	121.3138	0.129	5	122.2619	1.056	15	122.0911	2.066	17	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:3:3:4:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[6,6a]2C[6,6])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])3(C[6,6]C[6,6a]3)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]C[6,6a]2C[6,6])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,9|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])3(C[6,6]C[6,6a]3){12|C<3>,1|O<2>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,4|C<3>}	121.5035	0.607	2	121.3138	0.129	5	122.2619	1.056	15	122.0911	2.066	17	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:3:3:4:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[6,6a]2C[6,6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])3(C[6,6]C[6,6a]3)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]C[6,6a]2C[6,6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,8|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])3(C[6,6]C[6,6a]3){12|C<3>,1|N<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	121.2495	0.441	2	121.2495	0.194	2	122.2619	1.056	15	122.0911	2.066	17	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:3:3:4:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[6,6a]2C[6,6])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])3(C[6,6]C[6,6a]3)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]C[6,6a]2C[6,6])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|H<1>,8|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])3(C[6,6]C[6,6a]3){12|C<3>,1|O<2>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	123.1076	0.508	8	123.1076	0.258	8	122.2619	1.056	15	122.0911	2.066	17	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:3:3:4:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[5a,6]-3:N[6]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]N[5a,6]C[6]N[6])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6]N[5a])(N[6]C[6,6a]H)(C[6]C[6]HH)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]N[5a,6]C[6]N[6])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H){1|C<4>,1|N<2>,3|C<3>,5|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6]N[5a])(N[6]C[6,6a]H)(C[6]C[6]HH){1|S<2>,3|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|S<2>,2|N<3>}	118.1120	0.000	1	118.1120	0.000	1	118.1120	0.000	1	122.0911	2.066	17	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:3:4:1:	3:2:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[5a,6]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6a]-3:O[6a]-2:O-1:	C[6,6a](C[6,6]C[5a,6]C[6,6]H)(C[6,6a]C[6a,6a]O[6])(C[6a]O[6a]O)	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(O[6a]C[6a,6a])(O)	C[6,6a](C[6,6]C[5a,6]C[6,6]H)(C[6,6a]C[6a,6a]O[6])(C[6a]O[6a]O){1|H<1>,2|C<4>,4|C<3>}	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(H){1|C<3>,1|N<2>,1|N<3>,1|O<1>,1|S<2>,2|H<1>,2|O<2>,3|C<4>}	C[6a](C[6,6a]C[6,6a]C[6,6])(O[6a]C[6a,6a])(O){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	120.0870	0.000	1	120.0870	0.000	1	120.0870	0.000	1	118.8709	0.543	14	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:3:4:1:	3:2:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6a]-3:O[6a]-2:O-1:	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a,6a]O[6])(C[6a]O[6a]O)	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6,6]CC)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(O[6a]C[6a,6a])(O)	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a,6a]O[6])(C[6a]O[6a]O){3|C<4>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6,6]CC)(H){1|H<1>,1|N<3>,1|O<1>,2|O<2>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(O[6a]C[6a,6a])(O){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	118.9330	0.864	3	118.9330	0.747	3	118.7774	0.456	13	118.8709	0.543	14	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:3:4:1:	3:2:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6a]-3:O[6a]-2:O-1:	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a,6a]O[6])(C[6a]O[6a]O)	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6,6]HH)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(O[6a]C[6a,6a])(O)	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a,6a]O[6])(C[6a]O[6a]O){1|C<4>,2|H<1>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6,6]HH)(H){1|H<1>,1|N<3>,1|O<1>,2|O<2>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(O[6a]C[6a,6a])(O){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	118.3230	0.065	2	118.6553	0.333	3	118.7774	0.456	13	118.8709	0.543	14	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:3:4:1:	3:2:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6a]-3:O[6a]-2:O-1:	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a,6a]O[6])(C[6a]O[6a]O)	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6,6]HH)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(O[6a]C[6a,6a])(O)	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a,6a]O[6])(C[6a]O[6a]O){1|C<4>,2|H<1>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6,6]HH)(H){1|H<1>,1|O<1>,3|O<2>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(O[6a]C[6a,6a])(O){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	119.3200	0.000	1	118.6553	0.333	3	118.7774	0.456	13	118.8709	0.543	14	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:3:4:1:	3:2:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6a]-3:O[6a]-2:O-1:	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a,6a]O[6])(C[6a]O[6a]O)	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6]2C)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(O[6a]C[6a,6a])(O)	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a,6a]O[6])(C[6a]O[6a]O){1|C<2>,2|C<4>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6]2C)(H){1|N<3>,1|O<1>,2|O<2>,4|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(O[6a]C[6a,6a])(O){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	117.5030	0.000	1	118.9083	0.960	4	118.7774	0.456	13	118.8709	0.543	14	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:3:4:1:	3:2:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6a]-3:O[6a]-2:O-1:	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a,6a]O[6])(C[6a]O[6a]O)	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6]2C)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(O[6a]C[6a,6a])(O)	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a,6a]O[6])(C[6a]O[6a]O){2|C<4>,5|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6]2C)(H){1|O<1>,3|O<2>,4|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(O[6a]C[6a,6a])(O){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	119.3767	0.351	3	118.9083	0.960	4	118.7774	0.456	13	118.8709	0.543	14	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:3:4:1:	3:2:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6a]-3:O[6a]-2:O-1:	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a,6a]O[6])(C[6a]O[6a]O)	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6]2H)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(O[6a]C[6a,6a])(O)	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a,6a]O[6])(C[6a]O[6a]O){1|H<1>,2|C<4>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6]2H)(H){1|O<1>,2|C<4>,3|C<3>,3|H<1>,3|O<2>}	C[6a](C[6,6a]C[6,6a]C[6,6])(O[6a]C[6a,6a])(O){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	118.8430	0.000	1	118.5693	0.058	3	118.7774	0.456	13	118.8709	0.543	14	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:3:4:1:	3:2:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6a]-3:O[6a]-2:O-1:	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a,6a]O[6])(C[6a]O[6a]O)	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6]2H)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(O[6a]C[6a,6a])(O)	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a,6a]O[6])(C[6a]O[6a]O){1|H<1>,2|C<4>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6]2H)(H){1|O<1>,3|C<3>,3|O<2>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(O[6a]C[6a,6a])(O){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	118.4325	0.059	2	118.5693	0.058	3	118.7774	0.456	13	118.8709	0.543	14	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[5a,6]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[5a,6]C[6,6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2C)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]C[5a,6]C[6,6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<2>,1|C<4>,1|S<4>,2|H<1>,4|C<3>}	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2C)(H){1|C<4>,1|N<2>,1|O<2>,2|H<1>,2|N<3>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	122.2640	0.000	1	122.6290	2.132	3	122.3452	1.770	11	121.4269	3.998	108	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[5a,6]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[5a,6]C[6,6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2C)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]C[5a,6]C[6,6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<2>,1|S<4>,2|C<4>,2|H<1>,3|C<3>}	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2C)(H){1|N<2>,1|O<2>,2|N<3>,4|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	124.2370	0.000	1	122.6290	2.132	3	122.3452	1.770	11	121.4269	3.998	108	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[5a,6]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[5a,6]C[6,6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2C)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]C[5a,6]C[6,6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|S<4>,2|C<4>,2|H<1>,4|C<3>}	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2C)(H){1|C<4>,1|N<2>,1|O<2>,2|N<3>,3|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	121.3860	0.000	1	122.6290	2.132	3	122.3452	1.770	11	121.4269	3.998	108	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[5a,6]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[5a,6]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CH)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]Br)(H)	C[6,6a](C[6,6]C[5a,6]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|Br<1>,1|C<4>,2|H<1>,4|C<3>}	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CH)(H){1|H<1>,1|N<2>,1|N<3>,2|O<2>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]Br)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	123.0310	0.000	1	123.6265	0.709	2	122.3452	1.770	11	121.4269	3.998	108	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[5a,6]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[5a,6]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CH)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]Br)(H)	C[6,6a](C[6,6]C[5a,6]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|Br<1>,1|C<4>,2|H<1>,4|C<3>}	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CH)(H){1|N<2>,1|N<3>,2|H<1>,2|O<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]Br)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	124.2220	0.000	1	123.6265	0.709	2	122.3452	1.770	11	121.4269	3.998	108	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[5a,6]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[5a,6]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2C)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]C[5a,6]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<2>,2|C<4>,2|H<1>,3|C<3>}	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2C)(H){1|C<4>,1|N<2>,1|N<3>,2|O<2>,3|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	121.1355	0.070	2	121.3282	0.309	5	122.3452	1.770	11	121.4269	3.998	108	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[5a,6]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[5a,6]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2C)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]C[5a,6]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2C)(H){1|C<4>,1|N<2>,1|N<3>,2|O<2>,3|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	121.3400	0.000	1	121.3282	0.309	5	122.3452	1.770	11	121.4269	3.998	108	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[5a,6]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[5a,6]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2C)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]C[5a,6]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|C<4>,2|H<1>,4|C<3>}	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2C)(H){1|C<4>,1|N<2>,1|N<3>,2|O<2>,3|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.7780	0.000	1	121.3282	0.309	5	122.3452	1.770	11	121.4269	3.998	108	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[5a,6]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[5a,6]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2C)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]C[5a,6]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|C<4>,2|H<1>,4|C<3>}	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2C)(H){1|N<2>,1|N<3>,2|O<2>,4|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	122.2520	0.000	1	121.3282	0.309	5	122.3452	1.770	11	121.4269	3.998	108	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[5a,6]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[5a,6]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[5a,6]C[5a,6]S[5a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]C[5a,6]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|S<2>,2|C<3>,4|H<1>}	C[6,6](C[5a,6]C[5a,6]S[5a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(H){1|C<4>,1|H<1>,2|O<2>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	124.0160	0.000	1	124.0160	0.000	1	122.3452	1.770	11	121.4269	3.998	108	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-3:C[6,6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[5,6]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(C[6,6]C[6]2H)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]C[5,6]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(C[6,6]C[6]2H)(H){1|O<1>,2|C<4>,2|O<2>,3|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	122.0860	0.000	1	122.0860	0.000	1	122.0860	0.000	1	121.4269	3.998	108	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,6|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(H){2|C<3>,3|C<4>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	119.6730	0.000	1	119.6730	0.000	1	122.8824	4.936	5	121.4269	3.998	108	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>,3|O<2>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	123.7580	0.000	1	124.2153	1.744	3	122.8824	4.936	5	121.4269	3.998	108	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	125.7040	0.000	1	124.2153	1.744	3	122.8824	4.936	5	121.4269	3.998	108	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){4|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|H<1>,1|O<1>,2|O<2>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	123.1840	0.000	1	124.2153	1.744	3	122.8824	4.936	5	121.4269	3.998	108	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(C[6]C[6]HN)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(C[6]C[6]HN)(H){1|O<2>,3|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	122.0930	0.000	1	122.0930	0.000	1	122.8824	4.936	5	121.4269	3.998	108	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6,6a]C[6]H)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H){1|C<4>,3|H<1>,5|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6,6a]C[6]H)(H){1|C<4>,4|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	122.8320	0.000	1	122.8320	0.000	1	122.4137	2.293	49	121.4269	3.998	108	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6,6]HH)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6,6a]H)(H)	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6,6]HH)(H){2|H<1>,2|O<2>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6,6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	122.2180	0.000	1	122.2180	0.000	1	122.4137	2.293	49	121.4269	3.998	108	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6,6]HS)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a,6a]H)(H)	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H){1|C<4>,1|S<4>,4|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6,6]HS)(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a,6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	119.2520	0.000	1	119.2520	0.000	1	122.4137	2.293	49	121.4269	3.998	108	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[5a,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]N[6]H)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	C[6,6](C[6,6a]C[5a,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]N[6]H)(H){2|C<4>,4|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	120.8570	0.000	1	120.8570	0.000	1	122.4137	2.293	49	121.4269	3.998	108	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6,6]HH)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6,6]HH)(H){2|H<1>,3|C<4>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	121.1520	0.000	1	121.1520	0.000	1	122.4137	2.293	49	121.4269	3.998	108	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6,6]HS)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|S<4>,3|C<3>,5|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6,6]HS)(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	120.0940	0.641	3	120.0940	0.410	3	122.4137	2.293	49	121.4269	3.998	108	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6,6]HS)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,1|S<4>,3|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6,6]HS)(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	119.8530	0.000	1	119.8530	0.000	1	122.4137	2.293	49	121.4269	3.998	108	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6,6a]C[6]H)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,4|C<3>,5|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6,6a]C[6]H)(H){1|C<4>,4|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	120.7720	0.000	1	120.7720	0.000	1	122.4137	2.293	49	121.4269	3.998	108	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6]2C)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,3|H<1>,6|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6]2C)(H){1|C<4>,1|O<1>,1|O<2>,4|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	120.2970	0.000	1	120.2970	0.000	1	122.4137	2.293	49	121.4269	3.998	108	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6,6]CC)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>,4|C<4>}	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6,6]CC)(H){1|H<1>,1|N<3>,1|O<1>,2|O<2>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	123.5910	0.000	1	122.4570	0.970	3	122.4137	2.293	49	121.4269	3.998	108	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6,6]CC)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|O<2>,2|H<1>,3|C<3>,3|C<4>}	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6,6]CC)(H){1|H<1>,1|N<3>,1|O<1>,2|O<2>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	121.8900	0.105	2	122.4570	0.970	3	122.4137	2.293	49	121.4269	3.998	108	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6,6]HH)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6,6]HH)(H){1|H<1>,1|N<3>,1|O<1>,2|O<2>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	123.7170	0.679	2	123.7170	0.461	2	122.4137	2.293	49	121.4269	3.998	108	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6]2C)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<2>,1|S<4>,2|C<4>,2|H<1>,3|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6]2C)(H){1|N<3>,1|O<1>,2|O<2>,4|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	124.2410	0.000	1	124.2410	0.000	1	122.4137	2.293	49	121.4269	3.998	108	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2C)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]Br)(H)	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|Br<1>,1|H<1>,2|C<4>,4|C<3>}	C[6,6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2C)(H){1|N<3>,1|O<1>,1|O<2>,4|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]Br)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	122.0020	0.000	1	122.0020	0.000	1	122.4137	2.293	49	121.4269	3.998	108	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6,6]HH)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]Br)(H)	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|Br<1>,1|C<4>,3|C<3>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6,6]HH)(H){2|H<1>,2|O<2>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]Br)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	123.0715	0.337	2	123.0715	0.114	2	122.4137	2.293	49	121.4269	3.998	108	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6,6]HH)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]C)(H)	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6,6]HH)(H){2|H<1>,2|O<2>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	123.2030	0.000	1	123.2030	0.000	1	122.4137	2.293	49	121.4269	3.998	108	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6,6]HH)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6,6]HH)(H){1|H<1>,1|O<1>,3|O<2>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	124.3320	0.000	1	123.5527	0.318	6	122.4137	2.293	49	121.4269	3.998	108	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6,6]HH)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6,6]HH)(H){1|H<1>,3|O<2>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	123.3900	0.000	1	123.5527	0.318	6	122.4137	2.293	49	121.4269	3.998	108	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6,6]HH)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6,6]HH)(H){2|H<1>,2|O<2>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	123.3985	0.536	4	123.5527	0.318	6	122.4137	2.293	49	121.4269	3.998	108	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6,6]HS)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|S<4>,3|C<3>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6,6]HS)(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	122.2596	0.893	5	122.2596	0.797	5	122.4137	2.293	49	121.4269	3.998	108	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6]2C)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<2>,2|C<4>,2|H<1>,3|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6]2C)(H){1|O<1>,2|N<3>,2|O<2>,3|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	121.3960	0.139	2	122.0233	0.860	8	122.4137	2.293	49	121.4269	3.998	108	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6]2C)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6]2C)(H){1|C<4>,1|O<1>,1|O<2>,4|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	124.2050	0.000	1	122.0233	0.860	8	122.4137	2.293	49	121.4269	3.998	108	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6]2C)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|C<4>,2|H<1>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6]2C)(H){1|O<1>,2|N<3>,2|O<2>,3|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	121.8885	0.515	2	122.0233	0.860	8	122.4137	2.293	49	121.4269	3.998	108	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6]2C)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|C<4>,2|H<1>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6]2C)(H){1|O<1>,3|O<2>,4|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	121.8040	0.071	3	122.0233	0.860	8	122.4137	2.293	49	121.4269	3.998	108	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6]2H)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6]2H)(H){1|C<4>,2|C<3>,2|H<1>,2|N<3>,2|O<1>,2|O<2>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	123.5050	0.000	1	123.5711	3.321	8	122.4137	2.293	49	121.4269	3.998	108	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6]2H)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6]2H)(H){2|H<1>,2|N<3>,2|O<1>,2|O<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	123.3000	0.000	1	123.5711	3.321	8	122.4137	2.293	49	121.4269	3.998	108	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6]2H)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6]2H)(H){1|C<4>,2|O<2>,4|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	123.4300	0.000	1	123.5711	3.321	8	122.4137	2.293	49	121.4269	3.998	108	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6]2H)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6]2H)(H){1|O<1>,2|C<4>,3|C<3>,3|H<1>,3|O<2>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	123.4020	0.000	1	123.5711	3.321	8	122.4137	2.293	49	121.4269	3.998	108	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6]2H)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6]2H)(H){1|O<1>,3|C<3>,3|O<2>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	122.5865	0.134	2	123.5711	3.321	8	122.4137	2.293	49	121.4269	3.998	108	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6]2H)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6]2H)(H){2|O<2>,5|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	124.8795	4.212	2	123.5711	3.321	8	122.4137	2.293	49	121.4269	3.998	108	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]Br)(H)	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|Br<1>,1|C<4>,3|C<3>,3|H<1>}	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(H){1|H<1>,2|O<2>,6|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]Br)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	122.9930	0.000	1	122.9930	0.000	1	122.4137	2.293	49	121.4269	3.998	108	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6a]-3:C[6a]-3:O-1:	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]O[6a]C[6])(C[6a]C[6a]O)	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HO)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(O)	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]O[6a]C[6])(C[6a]C[6a]O){1|C<4>,2|O<2>,3|C<3>,3|H<1>}	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HO)(H){1|C<4>,1|H<1>,1|O<1>,2|O<2>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	119.3440	0.000	1	119.3440	0.000	1	119.3440	0.000	1	121.4269	3.998	108	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6a]-3:N[6a]-3:O-1:	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]N[6a]O[6])(C[6a]N[6a]O)	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6]2C)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(N[6a]C[6a]C)(O)	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]N[6a]O[6])(C[6a]N[6a]O){1|C<2>,3|C<3>,4|C<4>}	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6]2C)(H){1|O<1>,2|N<3>,2|O<2>,3|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(N[6a]C[6a]C)(O){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>}	119.6335	0.453	2	120.3458	0.839	4	120.2997	0.522	6	121.4269	3.998	108	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6a]-3:N[6a]-3:O-1:	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]N[6a]O[6])(C[6a]N[6a]O)	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6]2C)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(N[6a]C[6a]C)(O)	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]N[6a]O[6])(C[6a]N[6a]O){4|C<3>,4|C<4>}	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6]2C)(H){1|O<1>,2|N<3>,2|O<2>,3|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(N[6a]C[6a]C)(O){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>}	121.0580	0.530	2	120.3458	0.839	4	120.2997	0.522	6	121.4269	3.998	108	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6a]-3:N[6a]-3:O-1:	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]N[6a]O[6])(C[6a]N[6a]O)	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6]2H)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(N[6a]C[6a]C)(O)	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]N[6a]O[6])(C[6a]N[6a]O){1|H<1>,3|C<4>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6]2H)(H){1|C<4>,2|C<3>,2|H<1>,2|N<3>,2|O<1>,2|O<2>}	C[6a](C[6,6a]C[6,6a]C[6,6])(N[6a]C[6a]C)(O){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>}	120.0230	0.000	1	120.2075	0.068	2	120.2997	0.522	6	121.4269	3.998	108	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6a]-3:N[6a]-3:O-1:	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]N[6a]O[6])(C[6a]N[6a]O)	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6]2H)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(N[6a]C[6a]C)(O)	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]N[6a]O[6])(C[6a]N[6a]O){1|H<1>,3|C<4>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6]2H)(H){2|H<1>,2|N<3>,2|O<1>,2|O<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(N[6a]C[6a]C)(O){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>}	120.3920	0.000	1	120.2075	0.068	2	120.2997	0.522	6	121.4269	3.998	108	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[5,6]-3:C[6,6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[6,6]N[5,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(C[6,6]C[6,6]HH)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]C[6,6]N[5,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(C[6,6]C[6,6]HH)(H){1|N<2>,1|O<2>,1|S<2>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	121.8180	0.000	1	121.8180	0.000	1	121.8180	0.000	1	121.4269	3.998	108	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6,6]-3:C[6,6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[6,6]N[6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(C[6,6]C[6]3)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]C[6,6]N[6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<4>,4|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(C[6,6]C[6]3)(H){1|C<4>,1|O<2>,2|O<1>,5|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	120.1220	0.000	1	120.1220	0.000	1	120.1220	0.000	1	121.4269	3.998	108	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C)(C[6]O[6]HS)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,1|S<2>,2|C<3>,5|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C)(C[6]O[6]HS)(H){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	119.9320	0.000	1	119.9320	0.000	1	119.7108	3.083	33	121.4269	3.998	108	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<2>,2|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(C[6]C[6]CH)(H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	119.7930	0.000	1	119.7930	0.000	1	119.7108	3.083	33	121.4269	3.998	108	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(C[6]S[6]CH)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|S<4>,2|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(C[6]S[6]CH)(H){1|C<4>,1|N<3>,2|O<1>,3|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	118.6020	0.000	1	118.6020	0.000	1	119.7108	3.083	33	121.4269	3.998	108	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(C[6]C[6]CH)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<4>,3|C<3>,5|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(C[6]C[6]CH)(H){1|C<4>,4|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	120.7360	0.000	1	120.7360	0.000	1	119.7108	3.083	33	121.4269	3.998	108	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(C[6]C[6]CH)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(C[6]C[6]CH)(H){1|C<4>,4|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	121.4470	0.000	1	121.4470	0.000	1	119.7108	3.083	33	121.4269	3.998	108	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]CH)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]CH)(H){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	124.4090	0.000	1	119.9758	4.770	8	119.7108	3.083	33	121.4269	3.998	108	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]CH)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]CH)(H){2|C<3>,2|C<4>,7|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	120.1940	1.058	4	119.9758	4.770	8	119.7108	3.083	33	121.4269	3.998	108	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]CH)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]CH)(H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	117.4830	0.000	1	119.9758	4.770	8	119.7108	3.083	33	121.4269	3.998	108	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]CH)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]CH)(H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	118.5690	0.133	2	119.9758	4.770	8	119.7108	3.083	33	121.4269	3.998	108	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,3|C<4>,6|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]HH)(H){2|C<4>,3|C<3>,6|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	119.9670	0.000	1	119.9670	0.000	1	119.7108	3.083	33	121.4269	3.998	108	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	119.2260	0.000	1	119.2260	0.000	1	119.7108	3.083	33	121.4269	3.998	108	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]HN)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|N<3>,3|C<4>,5|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]HN)(H){2|C<4>,3|C<3>,6|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	119.6060	0.315	2	119.3312	0.249	4	119.7108	3.083	33	121.4269	3.998	108	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]HN)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]HN)(H){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	119.0565	0.589	2	119.3312	0.249	4	119.7108	3.083	33	121.4269	3.998	108	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]HO)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]HO)(H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	118.1130	0.000	1	118.1130	0.000	1	119.7108	3.083	33	121.4269	3.998	108	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]N[6]HH)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,6|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]N[6]HH)(H){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	119.3550	0.000	1	118.9906	0.262	5	119.7108	3.083	33	121.4269	3.998	108	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]N[6]HH)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,6|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]N[6]HH)(H){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	118.8995	0.542	4	118.9906	0.262	5	119.7108	3.083	33	121.4269	3.998	108	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]O[6]CH)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]O[6]CH)(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	124.8940	0.000	1	124.8940	0.000	1	119.7108	3.083	33	121.4269	3.998	108	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]N[6])(C[6]C[6]CC)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<2>,2|C<4>,3|C<3>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]N[6])(C[6]C[6]CC)(H){1|C<4>,2|C<2>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	122.9800	0.000	1	122.9800	0.000	1	119.7108	3.083	33	121.4269	3.998	108	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]S[6])(C[6]C[6]CH)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|O<2>,1|S<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]S[6])(C[6]C[6]CH)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	118.6285	0.644	2	118.6285	0.415	2	119.7108	3.083	33	121.4269	3.998	108	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]S[6])(C[6]C[6]HH)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|O<2>,1|S<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]S[6])(C[6]C[6]HH)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	117.8160	0.000	1	117.8160	0.000	1	119.7108	3.083	33	121.4269	3.998	108	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C)(C[6]C[6]HH)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]C)(H)	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C)(C[6]C[6]HH)(H){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,2|H<1>,2|N<3>}	118.1400	0.277	2	118.1400	0.077	2	119.7108	3.083	33	121.4269	3.998	108	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]S[6])(C[6]C[6]HH)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|S<4>,2|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]S[6])(C[6]C[6]HH)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>,3|O<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	121.3280	0.000	1	121.3280	0.000	1	119.7108	3.083	33	121.4269	3.998	108	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:3:4:1:	3:3:2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]O)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]2)(C[6,6]C[6,6]HO)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(OH)	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]O){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]2)(C[6,6]C[6,6]HO)(H){4|O<2>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(OH){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	125.0680	0.000	1	125.0680	0.000	1	123.8255	3.088	2	121.2358	6.370	5	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:3:4:1:	3:3:2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]O)	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6,6]HH)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]C)(OH)	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]O){1|C<4>,3|H<1>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6,6]HH)(H){1|H<1>,3|O<2>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]C)(OH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	122.5830	0.000	1	122.5830	0.000	1	123.8255	3.088	2	121.2358	6.370	5	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:3:4:1:	3:3:2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){2|C<3>,2|C<4>,6|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	119.5093	0.139	3	119.5093	0.019	3	119.5093	0.019	3	121.2358	6.370	5	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:3:4:1:	3:3:4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]C)	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6,6]HH)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(CH3)	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]C){1|C<4>,1|O<2>,3|C<3>,5|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6,6]HH)(H){2|H<1>,3|C<4>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(CH3){2|C<3>,2|C<4>,2|H<1>}	122.0080	0.000	1	122.0080	0.000	1	122.1700	0.052	2	122.1700	0.052	2	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:3:4:1:	3:3:4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]C)	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6]2H)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(CH3)	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]C){2|C<4>,3|C<3>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6]2H)(H){1|C<4>,2|O<2>,4|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(CH3){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	122.3320	0.000	1	122.3320	0.000	1	122.1700	0.052	2	122.1700	0.052	2	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:3:4:2:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[6,6a]C[6,6]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6a]C[6]2)(OC)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]C[6,6a]C[6,6]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){3|H<1>,6|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6a]C[6]2)(OC){4|H<1>,8|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	122.6560	1.015	2	122.6560	1.031	2	122.6560	1.031	2	122.6560	1.031	2	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:3:4:2:	3:3:2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:O-2:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6]C[6,6a]C[6,6]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	C[6,6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(OH)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(OH)	C[6,6a](C[6,6]C[6,6a]C[6,6]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|C<4>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[6,6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(OH){1|O<2>,3|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(OH){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	121.6330	0.000	1	121.6330	0.000	1	121.6330	0.000	1	121.6330	0.000	1	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:3:4:2:	3:3:4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-3:C[6]-4:O-2:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a](C[6,6]C[6,6]C[6]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]C)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6])(C[6]O[6]HH)(OH)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(CH3)	C[6,6a](C[6,6]C[6,6]C[6]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]C){1|C<4>,1|O<2>,3|C<3>,5|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6])(C[6]O[6]HH)(OH){1|H<1>,2|C<4>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(CH3){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	120.1790	0.000	1	120.1790	0.000	1	120.1790	0.000	1	120.1790	0.000	1	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:3:4:3:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-3:C[6]-4:N-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[6,6]C[6]N)(C[6,6a]N[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C)(C[6]C[6]HH)(NHH)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]C[6,6]C[6]N)(C[6,6a]N[6a]C[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,6|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C)(C[6]C[6]HH)(NHH){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<3>,1|O<1>,2|C<4>,2|N<3>}	120.4787	0.782	8	120.4787	0.611	8	120.4787	0.611	8	120.4772	0.462	11	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:3:4:3:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6]-4:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[6,6a]C[6]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6]C[5]O[6]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]C[6,6a]C[6]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,4|C<3>,6|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6]C[5]O[6]H)(C[6]C[6]H){1|N<3>,1|O<2>,2|C<4>,4|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	120.5350	0.000	1	120.5350	0.000	1	120.4730	0.169	3	120.4772	0.462	11	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:3:4:3:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6]-4:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[6,6a]C[6]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]C[6,6a]C[6]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,4|H<1>,5|C<3>}	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(C[6]C[6]O){1|O<2>,4|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,4|C<3>}	120.0340	0.000	1	120.0340	0.000	1	120.4730	0.169	3	120.4772	0.462	11	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:3:4:3:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6]-4:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[6,6a]C[6]2)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6]C[5]O[6]H)(C[6]C[6]H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]C[6,6a]C[6]2)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6]C[5]O[6]H)(C[6]C[6]H){1|N<3>,1|O<2>,2|C<4>,4|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	120.8500	0.000	1	120.8500	0.000	1	120.4730	0.169	3	120.4772	0.462	11	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:3:4:4:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[5a,6]-3:C[6,6a]-3:C[3x6]-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[5a,6]C[3x6]C)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]2H)(CH3)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]C[5a,6]C[3x6]C)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]2H)(CH3){1|N<2>,1|N<3>,2|C<3>,2|O<2>,3|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	121.9310	0.000	1	121.9310	0.000	1	121.9310	0.000	1	120.7919	4.579	25	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:3:4:4:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[5a,6]-3:C[6,6a]-3:C[6,6]-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[5a,6]C[6,6]C)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(CH3)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]Cl)(H)	C[6,6a](C[6,6]C[5a,6]C[6,6]C)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|Cl<1>,2|C<4>,2|H<1>,3|C<3>}	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(CH3){1|N<2>,2|C<4>,3|C<3>,3|H<1>,3|O<2>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]Cl)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	120.9160	0.000	1	120.9160	0.000	1	121.2537	0.305	3	120.7919	4.579	25	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:3:4:4:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[5a,6]-3:C[6,6a]-3:C[6,6]-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[5a,6]C[6,6]C)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(CH3)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]N)(H)	C[6,6a](C[6,6]C[5a,6]C[6,6]C)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(CH3){1|C<4>,1|N<2>,1|N<3>,2|O<2>,3|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]N)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	120.9540	0.000	1	121.4225	0.439	2	121.2537	0.305	3	120.7919	4.579	25	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:3:4:4:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[5a,6]-3:C[6,6a]-3:C[6,6]-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[5a,6]C[6,6]C)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(CH3)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]N)(H)	C[6,6a](C[6,6]C[5a,6]C[6,6]C)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(CH3){1|N<2>,1|N<3>,2|C<3>,2|O<2>,3|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]N)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	121.8910	0.000	1	121.4225	0.439	2	121.2537	0.305	3	120.7919	4.579	25	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:3:4:4:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6,6]-3:C[6]-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[5,6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6,6]C[5,6]2)(C[6]C[6]HH)(CH3)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]C[5,6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6,6]C[5,6]2)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){3|C<3>,3|C<4>}	119.4710	0.000	1	119.4710	0.000	1	119.4710	0.000	1	120.7919	4.579	25	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:3:4:4:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5a,6,6]-3:C[6]-4:C-4:	C[6,6a]-3:C[5,6a]-3:H-1:	C[6,6a](C[6,6]C[5a,6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5a,6,6]C[5a,6]2)(C[6]C[6]HH)(CH3)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[5,6a]C[5,6a]C[5])(H)	C[6,6a](C[6,6]C[5a,6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5a,6,6]C[5a,6]2)(C[6]C[6]HH)(CH3){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[5,6a]C[5,6a]C[5])(H){1|H<1>,1|O<2>,3|C<4>,4|C<3>}	119.0420	0.000	1	119.0420	0.000	1	119.0420	0.000	1	120.7919	4.579	25	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:3:4:4:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5a,6,6]-3:C[6]-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[5a,6,6]C[6]C)(C[6,6a]C[5,6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5a,6,6]C[5a,6]2)(C[6]C[6]HO)(CH3)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[5,6a]H)(H)	C[6,6a](C[6,6]C[5a,6,6]C[6]C)(C[6,6a]C[5,6a]C[6])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5a,6,6]C[5a,6]2)(C[6]C[6]HO)(CH3){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[5,6a]H)(H){3|C<3>,3|C<4>}	118.7130	0.000	1	117.9613	0.632	3	118.5564	1.828	7	120.7919	4.579	25	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:3:4:4:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5a,6,6]-3:C[6]-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[5a,6,6]C[6]C)(C[6,6a]C[5,6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5a,6,6]C[5a,6]2)(C[6]C[6]HO)(CH3)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[5,6a]H)(H)	C[6,6a](C[6,6]C[5a,6,6]C[6]C)(C[6,6a]C[5,6a]C[6])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5a,6,6]C[5a,6]2)(C[6]C[6]HO)(CH3){1|C<4>,2|H<1>,2|O<2>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[5,6a]H)(H){2|C<4>,4|C<3>}	117.5855	0.646	2	117.9613	0.632	3	118.5564	1.828	7	120.7919	4.579	25	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:3:4:4:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5a,6,6]-3:C[6]-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[5a,6,6]C[6]C)(C[6,6a]C[5,6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5a,6,6]C[5a,6]2)(C[6]C[6]SiH)(CH3)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[5,6a]H)(H)	C[6,6a](C[6,6]C[5a,6,6]C[6]C)(C[6,6a]C[5,6a]C[6])(C[6a]C[6a]H){1|Si<4>,1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5a,6,6]C[5a,6]2)(C[6]C[6]SiH)(CH3){1|O<2>,2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[5,6a]H)(H){2|C<4>,4|C<3>}	117.7820	0.000	1	117.7325	0.005	2	118.5564	1.828	7	120.7919	4.579	25	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:3:4:4:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5a,6,6]-3:C[6]-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[5a,6,6]C[6]C)(C[6,6a]C[5,6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5a,6,6]C[5a,6]2)(C[6]C[6]SiH)(CH3)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[5,6a]H)(H)	C[6,6a](C[6,6]C[5a,6,6]C[6]C)(C[6,6a]C[5,6a]C[6])(C[6a]C[6a]H){1|Si<4>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5a,6,6]C[5a,6]2)(C[6]C[6]SiH)(CH3){1|C<4>,2|H<1>,2|O<2>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[5,6a]H)(H){2|C<4>,4|C<3>}	117.6830	0.000	1	117.7325	0.005	2	118.5564	1.828	7	120.7919	4.579	25	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:3:4:4:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5a,6,6]-3:C[6]-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[5a,6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5a,6,6]C[5a,6]2)(C[6]C[6]HO)(CH3)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]C[5a,6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5a,6,6]C[5a,6]2)(C[6]C[6]HO)(CH3){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	121.1060	0.000	1	121.1060	0.000	1	118.5564	1.828	7	120.7919	4.579	25	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:3:4:4:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5a,6,6]-3:C[6]-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[5a,6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5a,6,6]C[5a,6]2)(C[6]O[6]CH)(CH3)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]C[5a,6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5a,6,6]C[5a,6]2)(C[6]O[6]CH)(CH3){1|H<1>,1|O<2>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	119.4400	0.000	1	119.4400	0.000	1	118.5564	1.828	7	120.7919	4.579	25	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:3:4:4:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5a,6,6]-3:C[6]-4:C-4:	C[6a,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6]C[5a,6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5a,6,6]C[5a,6]2)(C[6]C[6]HH)(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6,6])(H)	C[6,6a](C[6,6]C[5a,6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5a,6,6]C[5a,6]2)(C[6]C[6]HH)(CH3){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6,6])(H){1|O<2>,2|C<4>,5|C<3>}	120.8355	0.032	2	120.8355	0.001	2	120.8355	0.001	2	120.7919	4.579	25	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:3:4:4:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-3:C[6]-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(CH3)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(CH3){1|C<4>,4|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	120.3440	0.000	1	120.3440	0.000	1	119.5130	1.381	2	120.7919	4.579	25	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:3:4:4:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-3:C[6]-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|O<2>,3|C<3>,3|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(H){1|O<2>,2|C<4>,3|C<3>}	118.6820	0.000	1	118.6820	0.000	1	119.5130	1.381	2	120.7919	4.579	25	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:3:4:4:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[6,6a]C[6,6]C)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6,6]HH)(CH3)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]C[6,6a]C[6,6]C)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6,6]HH)(CH3){2|H<1>,2|O<2>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,3|C<4>}	124.3740	0.693	2	123.9060	0.586	4	123.9060	0.586	4	120.7919	4.579	25	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:3:4:4:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[6,6a]C[6,6]C)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6,6]HH)(CH3)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]C[6,6a]C[6,6]C)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6,6]HH)(CH3){2|H<1>,3|O<2>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,3|C<4>}	123.4380	0.635	2	123.9060	0.586	4	123.9060	0.586	4	120.7919	4.579	25	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:3:4:4:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:Si[6]-4:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[6,6a]Si[6]C[6])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])2(Si[6]C[6a]C[6]H)(C[6]C[6]HH)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]C[6,6a]Si[6]C[6])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,5|C<3>,5|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])2(Si[6]C[6a]C[6]H)(C[6]C[6]HH){1|C<4>,1|O<2>,4|H<1>,7|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|Si<4>,1|C<4>,1|H<1>,1|O<2>,2|C<3>}	122.1875	1.046	2	122.1875	1.094	2	122.1875	1.094	2	120.7919	4.579	25	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:3:4:4:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6,6]-3:C[6]-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]N[6,6]C[6]C)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]HH)(CF3)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]Cl)(H)	C[6,6a](C[6,6]N[6,6]C[6]C)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,3|H<1>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]HH)(CF3){1|H<1>,1|N<3>,2|O<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]Cl)(H){1|C<3>,1|H<1>,2|C<4>,2|N<3>}	121.9770	0.000	1	121.9770	0.000	1	121.9770	0.000	1	120.7919	4.579	25	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:3:4:4:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6,6]-3:C[6]-4:P-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]N[6,6]C[6]P)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]S[6])(C[6]C[6]HH)(PO3)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]N[6,6]C[6]P)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|S<4>,3|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]S[6])(C[6]C[6]HH)(PO3){1|H<1>,1|O<2>,3|O<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<2>,1|P<4>}	123.0240	0.000	1	123.0240	0.000	1	123.0240	0.000	1	120.7919	4.579	25	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:3:4:4:	3:3:2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-3:C[6]-4:C-4:	C[6,6a]-3:C[5,6a]-3:O-2:	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]O)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[5,6a]C[5,6a]O[5])(OH)	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]O){1|O<1>,2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|O<2>,3|C<3>,3|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[5,6a]C[5,6a]O[5])(OH){3|C<3>,4|C<4>}	120.1700	0.000	1	120.1700	0.000	1	120.1700	0.000	1	120.9300	0.455	3	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:3:4:4:	3:3:2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-3:C[6]-4:C-4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(OH)	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){2|H<1>,2|O<2>,3|C<3>,3|C<4>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(OH){3|C<3>,3|C<4>}	121.3100	0.211	2	121.3100	0.044	2	121.3100	0.044	2	120.9300	0.455	3	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[3x6]-4:O[6]-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[3x6]O[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]2H)(O[6]C[6])(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]C[3x6]O[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]2H)(O[6]C[6])(H){1|N<3>,1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	121.0070	0.000	1	121.0070	0.000	1	121.0070	0.000	1	120.9519	1.415	45	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:N[6]-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[6,6]N[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CH)(N[6]C[6])(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]C[6,6]N[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CH)(N[6]C[6])(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,1|S<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,1|O<2>,2|H<1>}	121.6750	0.000	1	121.6750	0.000	1	121.6750	0.000	1	120.9519	1.415	45	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6a]-3:C[6a]-3:Cl-1:	C[6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]Cl)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(O[6]C[6])(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]F)(Cl)	C[6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]Cl){1|C<3>,1|F<1>,3|C<4>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(O[6]C[6])(H){1|Cl<1>,1|C<4>,1|N<3>,3|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]F)(Cl){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	121.6985	0.086	2	121.6985	0.007	2	121.6985	0.007	2	120.9519	1.415	45	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(O[6]Si[6])(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|Si<4>,1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(O[6]Si[6])(H){1|H<1>,2|O<2>,3|C<3>,5|C<4>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	122.9720	0.000	1	122.9720	0.000	1	120.8793	1.514	37	120.9519	1.415	45	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CH)(O[6]C[6,6a])(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CH)(O[6]C[6,6a])(H){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	119.7993	0.205	3	119.7993	0.042	3	120.8793	1.514	37	120.9519	1.415	45	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(H){3|C<4>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	119.4960	0.000	1	119.4960	0.000	1	120.8793	1.514	37	120.9519	1.415	45	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(O[6]C[6,6a])(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(O[6]C[6,6a])(H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	119.0620	0.000	1	119.0620	0.000	1	120.8793	1.514	37	120.9519	1.415	45	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2S)(O[6]C[6,6a])(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,1|S<4>,3|C<3>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2S)(O[6]C[6,6a])(H){1|H<1>,1|O<1>,1|O<2>,2|C<4>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	118.9830	0.000	1	121.1267	1.198	6	120.8793	1.514	37	120.9519	1.415	45	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2S)(O[6]C[6,6a])(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,1|S<4>,2|H<1>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2S)(O[6]C[6,6a])(H){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	121.5554	0.344	5	121.1267	1.198	6	120.8793	1.514	37	120.9519	1.415	45	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]N[6]H)(O[6]C[6])(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]N[6]H)(O[6]C[6])(H){1|O<2>,1|S<4>,2|C<3>,3|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	119.4260	0.000	1	119.4260	0.000	1	120.8793	1.514	37	120.9519	1.415	45	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(O[6]C[6])(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>,2|O<2>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(O[6]C[6])(H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.3590	0.000	1	119.1178	1.545	4	120.8793	1.514	37	120.9519	1.415	45	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(O[6]C[6])(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(O[6]C[6])(H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	119.9090	0.000	1	119.1178	1.545	4	120.8793	1.514	37	120.9519	1.415	45	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(O[6]C[6])(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,2|O<2>,3|C<4>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(O[6]C[6])(H){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	118.5510	0.000	1	119.1178	1.545	4	120.8793	1.514	37	120.9519	1.415	45	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(O[6]C[6])(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,2|O<2>,3|C<4>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(O[6]C[6])(H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	117.6520	0.000	1	119.1178	1.545	4	120.8793	1.514	37	120.9519	1.415	45	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(O[6]C[6])(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(O[6]C[6])(H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	122.1860	0.327	3	121.9700	0.310	5	120.8793	1.514	37	120.9519	1.415	45	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(O[6]C[6])(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(O[6]C[6])(H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	122.2270	0.000	1	121.9700	0.310	5	120.8793	1.514	37	120.9519	1.415	45	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(O[6]C[6])(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(O[6]C[6])(H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	121.0650	0.000	1	121.9700	0.310	5	120.8793	1.514	37	120.9519	1.415	45	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(O[6]C[6])(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]C)(H)	C[6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<3>,3|H<1>,4|C<4>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(O[6]C[6])(H){1|C<4>,1|N<3>,3|C<3>,6|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	121.4530	0.000	1	121.4530	0.000	1	120.8793	1.514	37	120.9519	1.415	45	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(O[6]C[6])(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]F)(H)	C[6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<3>,1|F<1>,3|C<4>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(O[6]C[6])(H){1|C<4>,1|N<3>,3|C<3>,6|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]F)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	120.3330	0.000	1	120.4777	0.085	3	120.8793	1.514	37	120.9519	1.415	45	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(O[6]C[6])(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]F)(H)	C[6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<3>,1|F<1>,3|C<4>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(O[6]C[6])(H){1|C<4>,1|N<3>,3|C<3>,6|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]F)(H){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<2>}	120.5500	0.372	2	120.4777	0.085	3	120.8793	1.514	37	120.9519	1.415	45	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(O[6]C[6])(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(O[6]C[6])(H){1|C<4>,1|N<3>,3|C<3>,6|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	121.1112	0.326	4	121.1112	0.107	4	120.8793	1.514	37	120.9519	1.415	45	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(O[6]C[6])(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(O[6]C[6])(H){1|C<4>,1|N<3>,3|C<3>,6|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	120.6140	0.000	1	120.6140	0.000	1	120.8793	1.514	37	120.9519	1.415	45	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(O[6]C[6,6a])(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(O[6]C[6,6a])(H){2|O<2>,3|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	121.6580	0.573	2	121.6580	0.328	2	120.8793	1.514	37	120.9519	1.415	45	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(O[6]C[6])(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(O[6]C[6])(H){1|O<2>,2|C<3>,4|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	122.0820	0.419	2	122.1837	0.119	3	120.8793	1.514	37	120.9519	1.415	45	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(O[6]C[6])(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(O[6]C[6])(H){1|O<2>,3|C<3>,3|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	122.3870	0.000	1	122.1837	0.119	3	120.8793	1.514	37	120.9519	1.415	45	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]N[6]H)(O[6]C[6])(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]N[6]H)(O[6]C[6])(H){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	121.2860	0.000	1	121.2860	0.000	1	120.8793	1.514	37	120.9519	1.415	45	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:O[6,6]-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]O[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CH)(O[6,6]C[6,6])(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]O[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CH)(O[6,6]C[6,6])(H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	119.9630	0.626	2	119.9630	0.392	2	121.0558	1.946	4	120.9519	1.415	45	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:O[6,6]-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]O[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(O[6,6]C[6,6])(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]O[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,2|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(O[6,6]C[6,6])(H){1|C<4>,1|H<1>,1|N<2>,1|O<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	121.5700	0.000	1	121.5700	0.000	1	121.0558	1.946	4	120.9519	1.415	45	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:O[6,6]-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]O[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HO)(O[6,6]C[6,6])(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]O[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HO)(O[6,6]C[6,6])(H){1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	122.7270	0.000	1	122.7270	0.000	1	121.0558	1.946	4	120.9519	1.415	45	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:2:1:	3:3:2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(O[6]C[6])(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(OH)	C[6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|C<3>,1|O<1>,2|C<4>,2|H<1>,2|O<2>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(O[6]C[6])(H){2|C<4>,2|H<1>,2|O<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(OH){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	123.8310	0.324	3	123.8310	0.105	3	122.7210	4.999	4	122.7210	4.999	4	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:2:1:	3:3:2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]O)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]C)(OH)	C[6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]O){1|H<1>,3|C<3>,3|C<4>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(H){1|H<1>,2|O<2>,3|C<4>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]C)(OH){1|C<3>,1|C<4>,1|H<1>,3|O<2>}	119.3910	0.000	1	119.3910	0.000	1	122.7210	4.999	4	122.7210	4.999	4	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:2:2:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:O[6]-2:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[6,6]O[6]O)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]Cl)(O[6]C[6])(OH)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]C[6,6]O[6]O)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|Cl<1>,2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]Cl)(O[6]C[6])(OH){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,4|C<4>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|O<2>}	123.2910	0.000	1	123.2910	0.000	1	123.2910	0.000	1	123.2910	0.000	1	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:2:3:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:O[6]-2:N-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[6,6]O[6]N)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(O[6]C[6,6a])(NCH)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]C[6,6]O[6]N)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(O[6]C[6,6a])(NCH){1|C<4>,4|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	120.4490	0.263	2	120.4490	0.069	2	120.2367	0.170	3	120.2367	0.170	3	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:2:3:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:O[6]-2:N-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[6,6]O[6]N)(C[6,6a]C[6a]S[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(O[6]C[6,6a])(NCH)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]C[6,6]O[6]N)(C[6,6a]C[6a]S[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(O[6]C[6,6a])(NCH){1|C<2>,1|S<2>,4|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<2>,1|S<2>}	119.8120	0.000	1	119.8120	0.000	1	120.2367	0.170	3	120.2367	0.170	3	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:2:4:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:O[6]-2:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[6,6]C[6]O[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(O[6]C[6,6a])(C[6]C[6]2H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6]C[6,6]C[6]O[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,3|C<3>,3|C<4>,5|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(O[6]C[6,6a])(C[6]C[6]2H){3|C<4>,4|C<3>,6|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(H){1|C<3>,2|O<2>,3|C<4>}	120.7480	0.000	1	120.7480	0.000	1	120.7480	0.000	1	121.4970	1.122	2	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:2:4:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:O[6,6]-2:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]O[6,6]C[6]C)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(O[6,6]C[6,6])(CH3)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]O[6,6]C[6]C)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,2|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(O[6,6]C[6,6])(CH3){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	122.2460	0.000	1	122.2460	0.000	1	122.2460	0.000	1	121.4970	1.122	2	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[3x6]-4:C[6,6]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[3x6]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]C[6])(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]Cl)(H)	C[6,6a](C[6,6]C[3x6]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|Br<1>,1|Cl<1>,1|C<4>,1|H<1>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]C[6])(H){1|H<1>,2|C<3>,2|O<1>,2|O<2>,4|C<4>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]Cl)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	123.4690	0.000	1	123.4690	0.000	1	123.0525	0.347	2	120.6455	4.402	110	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[3x6]-4:C[6,6]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[3x6]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]C[6])(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]C[3x6]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]C[6])(H){1|H<1>,2|C<3>,2|O<1>,2|O<2>,4|C<4>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	122.6360	0.000	1	122.6360	0.000	1	123.0525	0.347	2	120.6455	4.402	110	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[3x6]-4:N[6]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[3x6]N[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]2H)(N[6]C[6,6a]H)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]C[3x6]N[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]2H)(N[6]C[6,6a]H)(H){1|C<4>,2|O<2>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	120.4940	0.000	1	120.4940	0.000	1	120.4940	0.000	1	120.6455	4.402	110	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6,6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6,6]C[5,6]2H)(C[6]C[6]H)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]C)(H)	C[6,6a](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6,6]C[5,6]2H)(C[6]C[6]H)(H){3|C<3>,3|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]C)(H){1|C<4>,2|H<1>,3|C<3>}	121.8760	0.143	2	121.8760	0.020	2	121.8760	0.020	2	120.6455	4.402	110	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:N[6,6]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[5,6]N[6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(N[6,6]C[6,6a]C[6])(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]C[5,6]N[6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<4>,3|C<3>,5|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(N[6,6]C[6,6a]C[6])(H){1|C<4>,1|N<3>,1|O<1>,4|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	118.5635	0.009	2	118.5635	0.000	2	118.5360	0.002	3	120.6455	4.402	110	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:N[6,6]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[5,6]N[6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H)(N[6,6]C[6]2)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]C[5,6]N[6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H)(N[6,6]C[6]2)(H){1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	118.4810	0.000	1	118.4810	0.000	1	118.5360	0.002	3	120.6455	4.402	110	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6a]-3:C[5,6a]-3:H-1:	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[5,6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(C[6]C[6,6]O)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[5,6a]C[5,6a]O[5])(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[5,6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>,2|O<2>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(C[6]C[6,6]O)(H){1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[5,6a]C[5,6a]O[5])(H){1|H<1>,2|C<3>,2|C<4>,2|O<2>}	120.5750	0.238	2	120.5750	0.056	2	120.6183	0.026	4	120.6455	4.402	110	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6a]-3:C[5,6a]-3:H-1:	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[5,6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(C[6]C[6,6a]O)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[5,6a]C[5,6a]O[5])(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[5,6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>,2|O<2>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(C[6]C[6,6a]O)(H){1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[5,6a]C[5,6a]O[5])(H){1|H<1>,2|C<3>,2|C<4>,2|O<2>}	120.6615	0.122	2	120.6615	0.015	2	120.6183	0.026	4	120.6455	4.402	110	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:Br-1:	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]Br)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]H)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(Br)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]Br){1|C<4>,3|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]H)(H){1|Br<1>,1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(Br){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	124.0670	0.000	1	124.0670	0.000	1	124.0670	0.000	1	120.6455	4.402	110	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:Cl-1:	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]Cl)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(C[6]C[6,6a]O)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(Cl)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]Cl){1|C<4>,1|O<1>,2|C<3>,2|H<1>,2|O<2>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(C[6]C[6,6a]O)(H){1|Cl<1>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(Cl){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	123.1750	0.000	1	123.1750	0.000	1	123.1750	0.000	1	120.6455	4.402	110	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<4>,3|C<3>,5|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H){2|C<4>,3|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	119.0570	0.000	1	119.0570	0.000	1	121.9007	3.796	41	120.6455	4.402	110	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6,6a]N)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6,6a]N)(H){2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	119.5055	0.091	2	119.8710	0.227	6	121.9007	3.796	41	120.6455	4.402	110	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6,6a]N)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|N<2>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6,6a]N)(H){2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	120.0538	0.493	4	119.8710	0.227	6	121.9007	3.796	41	120.6455	4.402	110	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6,6a]O)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|O<1>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6,6a]O)(H){2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,4|C<3>}	120.3487	0.479	4	121.0103	1.408	6	121.9007	3.796	41	120.6455	4.402	110	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6,6a]O)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|Ir<8>,1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6,6a]O)(H){2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	121.5920	0.000	1	121.0103	1.408	6	121.9007	3.796	41	120.6455	4.402	110	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6,6a]O)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|Pd<4>,1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6,6a]O)(H){2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	123.0750	0.000	1	121.0103	1.408	6	121.9007	3.796	41	120.6455	4.402	110	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]S)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,1|S<4>,2|C<3>,5|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]S)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	120.9753	0.624	3	120.9745	0.259	4	121.9007	3.796	41	120.6455	4.402	110	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]S)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,1|S<4>,2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]S)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	120.9720	0.000	1	120.9745	0.259	4	121.9007	3.796	41	120.6455	4.402	110	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)(C[6]C[6]H)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,1|O<1>,3|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)(C[6]C[6]H)(H){3|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	120.7640	0.000	1	120.7640	0.000	1	121.9007	3.796	41	120.6455	4.402	110	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]H)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,6|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]H)(H){2|C<4>,4|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	120.3920	0.000	1	120.3920	0.000	1	121.9007	3.796	41	120.6455	4.402	110	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6]H)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,3|C<3>,6|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6]H)(H){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	120.0730	0.000	1	120.0730	0.000	1	121.9007	3.796	41	120.6455	4.402	110	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]O)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]Br)(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|O<1>,3|C<4>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]O)(H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]Br)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	120.4520	0.000	1	120.4520	0.000	1	121.9007	3.796	41	120.6455	4.402	110	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]H)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,5|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]H)(H){1|N<3>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	120.8280	0.000	1	123.4195	13.432	2	121.9007	3.796	41	120.6455	4.402	110	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]H)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|S<4>,2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]H)(H){1|O<2>,2|N<3>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	126.0110	0.000	1	123.4195	13.432	2	121.9007	3.796	41	120.6455	4.402	110	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CH)(C[6]C[6]C)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]Br)(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|Br<1>,1|C<4>,2|H<1>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CH)(C[6]C[6]C)(H){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]Br)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	122.5390	0.000	1	122.5390	0.000	1	121.9007	3.796	41	120.6455	4.402	110	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CH)(C[6]C[6]H)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CH)(C[6]C[6]H)(H){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	122.9310	0.000	1	122.9310	0.000	1	121.9007	3.796	41	120.6455	4.402	110	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]C)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]C)(H){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	124.2900	0.000	1	124.2900	0.000	1	121.9007	3.796	41	120.6455	4.402	110	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]Br)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|Br<1>,1|C<4>,3|C<3>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]Br)(H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	123.1920	0.000	1	123.1920	0.000	1	121.9007	3.796	41	120.6455	4.402	110	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]H)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]H)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	122.8910	0.000	1	124.6352	2.049	5	121.9007	3.796	41	120.6455	4.402	110	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]H)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]H)(H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	125.0275	1.015	2	124.6352	2.049	5	121.9007	3.796	41	120.6455	4.402	110	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]H)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]H)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	125.1150	1.831	2	124.6352	2.049	5	121.9007	3.796	41	120.6455	4.402	110	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]Si)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|Si<4>,1|C<4>,3|C<3>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]Si)(H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	124.0445	0.409	2	124.0445	0.168	2	121.9007	3.796	41	120.6455	4.402	110	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]O[6]O)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]O[6]O)(H){1|O<2>,3|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	121.7345	0.224	2	121.7345	0.050	2	121.9007	3.796	41	120.6455	4.402	110	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(C[6]C[6,6a]N)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>,2|O<2>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(C[6]C[6,6a]N)(H){1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	122.4510	0.000	1	122.4510	0.000	1	121.9007	3.796	41	120.6455	4.402	110	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(C[6]C[6,6a]O)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>,2|O<2>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(C[6]C[6,6a]O)(H){1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	121.4350	0.815	2	121.4350	0.664	2	121.9007	3.796	41	120.6455	4.402	110	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]S[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]H)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]S[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]H)(H){1|O<1>,1|O<2>,1|S<2>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<4>,1|S<2>,2|C<3>,2|H<1>}	123.9390	0.000	1	123.9390	0.000	1	121.9007	3.796	41	120.6455	4.402	110	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]N[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]N)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]N[6a]C[6])(C[6a]C[6a]H){1|N<3>,3|H<1>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]N)(H){1|B<3>,1|N<2>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	124.2210	0.000	1	124.2210	0.000	1	121.9007	3.796	41	120.6455	4.402	110	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6a,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O)(C[6]C[6]O)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6,6])(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H){2|C<4>,2|O<1>,2|O<2>,3|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O)(C[6]C[6]O)(H){4|C<3>,6|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6,6])(H){1|C<4>,2|H<1>,5|C<3>}	121.4210	0.000	1	121.4210	0.000	1	121.4210	0.000	1	120.6455	4.402	110	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:N[6]-3:H-1:	C[6,6a]-3:C[5,6a]-3:H-1:	C[6,6a](C[6,6]C[6,6]N[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]C)(N[6]C[6]C)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[5,6a]C[5,6a]O[5])(H)	C[6,6a](C[6,6]C[6,6]N[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H){1|O<2>,3|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]C)(N[6]C[6]C)(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[5,6a]C[5,6a]O[5])(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,3|C<4>}	119.5490	0.000	1	118.7445	1.294	2	118.2423	1.404	3	120.6455	4.402	110	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:N[6]-3:H-1:	C[6,6a]-3:C[5,6a]-3:H-1:	C[6,6a](C[6,6]C[6,6]N[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]C)(N[6]C[6]C)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[5,6a]C[5,6a]O[5])(H)	C[6,6a](C[6,6]C[6,6]N[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H){2|C<3>,2|H<1>,2|O<2>,4|C<4>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]C)(N[6]C[6]C)(H){1|O<2>,2|C<4>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[5,6a]C[5,6a]O[5])(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,3|C<4>}	117.9400	0.000	1	118.7445	1.294	2	118.2423	1.404	3	120.6455	4.402	110	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:N[6]-3:H-1:	C[6,6a]-3:C[5,6a]-3:H-1:	C[6,6a](C[6,6]C[6,6]N[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]H)(N[6]C[6]H)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[5,6a]C[5,6a]O[5])(H)	C[6,6a](C[6,6]C[6,6]N[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]H)(N[6]C[6]H)(H){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[5,6a]C[5,6a]O[5])(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,3|C<4>}	117.2380	0.000	1	117.2380	0.000	1	118.2423	1.404	3	120.6455	4.402	110	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:N[6]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[6,6]N[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6a]H)(N[6]C[6,6a]S)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6]C[6,6]N[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,1|S<4>,3|H<1>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6a]H)(N[6]C[6,6a]S)(H){1|C<4>,2|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	117.7760	0.027	2	117.7760	0.001	2	120.9163	2.681	21	120.6455	4.402	110	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:N[6]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[6,6]N[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]H)(N[6]C[6]H)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]C[6,6]N[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,6|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]H)(N[6]C[6]H)(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	118.5215	0.303	2	119.2700	1.727	3	120.9163	2.681	21	120.6455	4.402	110	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:N[6]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[6,6]N[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]H)(N[6]C[6]H)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]C[6,6]N[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){4|C<3>,5|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]H)(N[6]C[6]H)(H){1|O<1>,2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	120.7670	0.000	1	119.2700	1.727	3	120.9163	2.681	21	120.6455	4.402	110	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:N[6]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[6,6]N[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CH)(N[6]C[6]C)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]C[6,6]N[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CH)(N[6]C[6]C)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,1|S<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	121.0270	0.000	1	121.0270	0.000	1	120.9163	2.681	21	120.6455	4.402	110	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:N[6]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[6,6]N[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CH)(N[6]C[6]H)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]C[6,6]N[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CH)(N[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,1|S<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	122.1630	0.000	1	121.8867	0.986	3	120.9163	2.681	21	120.6455	4.402	110	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:N[6]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[6,6]N[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CH)(N[6]C[6]H)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]C[6,6]N[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CH)(N[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|O<2>}	122.7120	0.000	1	121.8867	0.986	3	120.9163	2.681	21	120.6455	4.402	110	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:N[6]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[6,6]N[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CH)(N[6]C[6]H)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]C[6,6]N[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CH)(N[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,1|S<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	120.7850	0.000	1	121.8867	0.986	3	120.9163	2.681	21	120.6455	4.402	110	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:N[6]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[6,6]N[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CH)(N[6]C[6a]C[6])(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]C[6,6]N[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CH)(N[6]C[6a]C[6])(H){1|O<2>,3|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	119.7150	0.000	1	119.7150	0.000	1	120.9163	2.681	21	120.6455	4.402	110	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:N[6]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[6,6]N[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(N[6]C[5a,6]H)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]Br)(H)	C[6,6a](C[6,6]C[6,6]N[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|Br<1>,1|C<4>,2|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(N[6]C[5a,6]H)(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<2>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]Br)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	120.7490	0.000	1	120.7490	0.000	1	120.9163	2.681	21	120.6455	4.402	110	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:N[6]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[6,6]N[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(N[6]C[5a,6]H)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]C[6,6]N[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(N[6]C[5a,6]H)(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<2>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	121.4130	0.774	4	121.4130	0.599	4	120.9163	2.681	21	120.6455	4.402	110	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:N[6]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[6,6]N[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2C)(N[6]C[6]S)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]C[6,6]N[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<2>,1|S<4>,2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2C)(N[6]C[6]S)(H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	123.3710	0.000	1	123.3710	0.000	1	120.9163	2.681	21	120.6455	4.402	110	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:N[6]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[6,6]N[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(N[6]C[6,6a]H)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]Br)(H)	C[6,6a](C[6,6]C[6,6]N[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|Br<1>,2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(N[6]C[6,6a]H)(H){1|O<2>,2|C<4>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]Br)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	121.3845	0.298	2	121.3845	0.089	2	120.9163	2.681	21	120.6455	4.402	110	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:N[6]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[6,6]N[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(N[6]C[6,6a]H)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]C)(H)	C[6,6a](C[6,6]C[6,6]N[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(N[6]C[6,6a]H)(H){1|O<2>,2|C<4>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	121.6220	0.000	1	121.6220	0.000	1	120.9163	2.681	21	120.6455	4.402	110	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:N[6]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[6,6]N[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(N[6]C[6,6a]H)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]C[6,6]N[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(N[6]C[6,6a]H)(H){1|O<2>,4|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	122.4030	0.000	1	122.4030	0.000	1	120.9163	2.681	21	120.6455	4.402	110	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:N[6]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[6,6]N[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]C)(N[6]C[6,6a]H)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]C[6,6]N[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|O<2>,3|H<1>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]C)(N[6]C[6,6a]H)(H){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	122.9120	0.000	1	122.9120	0.000	1	120.9163	2.681	21	120.6455	4.402	110	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6,6]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(C[6,6]C[6]2)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(C[6,6]C[6]2)(H){1|H<1>,2|O<1>,2|O<2>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	121.4970	0.000	1	121.4970	0.000	1	121.4970	0.000	1	120.6455	4.402	110	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:N[6,6]-3:H-1:	C[6,6a]-3:C[5,6a]-3:H-1:	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(N[6,6]C[6]2)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[5,6a]C[5,6a]O[5])(H)	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H){1|C<4>,1|O<2>,3|C<3>,5|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(N[6,6]C[6]2)(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[5,6a]C[5,6a]O[5])(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,3|C<4>}	116.9177	0.292	4	117.4688	0.825	6	117.4688	0.825	6	120.6455	4.402	110	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:N[6,6]-3:H-1:	C[6,6a]-3:C[5,6a]-3:H-1:	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(N[6,6]C[6]2)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[5,6a]C[5,6a]O[5])(H)	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(N[6,6]C[6]2)(H){1|C<4>,4|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[5,6a]C[5,6a]O[5])(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,3|C<4>}	118.2370	0.000	1	117.4688	0.825	6	117.4688	0.825	6	120.6455	4.402	110	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:N[6,6]-3:H-1:	C[6,6a]-3:C[5,6a]-3:H-1:	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(N[6,6]C[6]2)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[5,6a]C[5,6a]O[5])(H)	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(N[6,6]C[6]2)(H){1|C<4>,4|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[5,6a]C[5,6a]O[5])(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>,2|C<4>}	118.9050	0.000	1	117.4688	0.825	6	117.4688	0.825	6	120.6455	4.402	110	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:N[6,6]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]HH)(N[6,6]C[6]2)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,6|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]HH)(N[6,6]C[6]2)(H){1|O<1>,1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	120.2580	0.000	1	120.2580	0.000	1	119.0168	0.378	21	120.6455	4.402	110	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:N[6,6]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(N[6,6]C[6]2)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]Br)(H)	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|Br<1>,2|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(N[6,6]C[6]2)(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]Br)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	118.5130	0.000	1	118.5130	0.000	1	119.0168	0.378	21	120.6455	4.402	110	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:N[6,6]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(N[6,6]C[6]2)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){3|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(N[6,6]C[6]2)(H){1|N<4>,1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	118.7760	0.000	1	118.7760	0.000	1	119.0168	0.378	21	120.6455	4.402	110	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:N[6,6]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)(N[6,6]C[6]2)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)(N[6,6]C[6]2)(H){1|C<4>,4|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	118.3350	0.000	1	118.3350	0.000	1	119.0168	0.378	21	120.6455	4.402	110	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:N[6,6]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(N[6,6]C[6]2)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,5|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(N[6,6]C[6]2)(H){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	120.0280	0.000	1	120.0280	0.000	1	119.0168	0.378	21	120.6455	4.402	110	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:N[6,6]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CH)(N[6,6]C[6]2)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CH)(N[6,6]C[6]2)(H){1|C<4>,4|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	118.6110	0.000	1	118.6110	0.000	1	119.0168	0.378	21	120.6455	4.402	110	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:N[6,6]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6a]H)(N[6,6]C[6]2)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<4>,4|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6a]H)(N[6,6]C[6]2)(H){1|C<4>,4|H<1>,7|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	119.3420	0.000	1	119.3420	0.000	1	119.0168	0.378	21	120.6455	4.402	110	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:N[6,6]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(N[6,6]C[6,6]C)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(N[6,6]C[6,6]C)(H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	118.6425	0.484	2	118.6425	0.235	2	119.0168	0.378	21	120.6455	4.402	110	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:N[6,6]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(N[6,6]C[6]2)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,6|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(N[6,6]C[6]2)(H){1|C<4>,4|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	119.4760	0.000	1	119.4015	0.011	2	119.0168	0.378	21	120.6455	4.402	110	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:N[6,6]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(N[6,6]C[6]2)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,6|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(N[6,6]C[6]2)(H){1|N<2>,2|C<4>,3|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	119.3270	0.000	1	119.4015	0.011	2	119.0168	0.378	21	120.6455	4.402	110	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:N[6,6]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(N[6,6]C[6]2)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,5|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(N[6,6]C[6]2)(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	118.0245	0.223	2	118.8573	0.305	9	119.0168	0.378	21	120.6455	4.402	110	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:N[6,6]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(N[6,6]C[6]2)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(N[6,6]C[6]2)(H){1|C<4>,1|N<2>,3|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	119.4650	0.000	1	118.8573	0.305	9	119.0168	0.378	21	120.6455	4.402	110	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:N[6,6]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(N[6,6]C[6]2)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(N[6,6]C[6]2)(H){1|C<4>,4|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	119.0337	0.300	6	118.8573	0.305	9	119.0168	0.378	21	120.6455	4.402	110	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:N[6,6]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(N[6,6]C[6]2)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,5|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(N[6,6]C[6]2)(H){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	119.6860	0.000	1	119.6860	0.000	1	119.0168	0.378	21	120.6455	4.402	110	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:P[6]-4:N[6,6]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]N[6,6]P[6]H)(C[6,6a]C[6a]P[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(P[6]C[6,6a]C[6a]2)(N[6,6]C[6,6]C)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]N[6,6]P[6]H)(C[6,6a]C[6a]P[6])(C[6a]C[6a]H){2|C<4>,2|H<1>,6|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(P[6]C[6,6a]C[6a]2)(N[6,6]C[6,6]C)(H){1|P<4>,2|H<1>,8|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|H<1>,2|P<4>}	118.1715	0.183	2	118.1715	0.034	2	118.1715	0.034	2	120.6455	4.402	110	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:3:1:	3:3:2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]O)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]H)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]C)(OH)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]O){2|C<4>,3|C<3>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]H)(H){2|C<3>,2|H<1>,2|O<2>,4|C<4>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]C)(OH){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	122.8515	0.828	2	122.8515	0.686	2	123.6863	2.434	3	122.9850	3.590	4	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:3:1:	3:3:2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]O)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]H)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(OS)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]O){2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]H)(H){2|C<3>,2|H<1>,2|O<2>,4|C<4>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(OS){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	125.3560	0.000	1	125.3560	0.000	1	123.6863	2.434	3	122.9850	3.590	4	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:3:1:	3:3:2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:N[6,6]-3:H-1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6]C[6,6]N[6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6]H)(N[6,6]C[6,6]C)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(OH)	C[6,6a](C[6,6]C[6,6]N[6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|C<3>,1|N<3>,1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6]H)(N[6,6]C[6,6]C)(H){1|O<2>,1|S<2>,2|H<1>,3|C<3>,3|C<4>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(OH){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	120.8810	0.000	1	120.8810	0.000	1	120.8810	0.000	1	122.9850	3.590	4	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:3:1:	3:3:4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:Si-4:	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]Si)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]H)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(SiC3)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]Si){1|C<4>,3|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]H)(H){1|Si<4>,1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(SiC3){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	124.4300	0.000	1	124.4300	0.000	1	124.4300	0.000	1	124.4300	0.000	1	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:3:2:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[6,6]C[6]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]H)(OC)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]C[6,6]C[6]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,6|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]H)(OC){1|C<4>,2|S<4>,3|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	119.3020	0.000	1	119.3297	0.005	3	119.9970	1.785	4	119.3610	3.361	5	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:3:2:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[6,6]C[6]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]H)(OC)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]C[6,6]C[6]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,6|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]H)(OC){1|C<4>,4|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	119.3435	0.097	2	119.3297	0.005	3	119.9970	1.785	4	119.3610	3.361	5	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:3:2:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[6,6]C[6]O)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(C[6]C[6,6a]O)(OH)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6]C[6,6]C[6]O)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>,2|O<2>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(C[6]C[6,6a]O)(OH){1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(H){1|C<4>,2|C<3>,3|O<2>}	121.9990	0.000	1	121.9990	0.000	1	119.9970	1.785	4	119.3610	3.361	5	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:3:2:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-3:O[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[6,6]C[6]O[6])(C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O[6])(C[6]C[6]C)(O[6]Si[6])	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]C[6,6]C[6]O[6])(C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H){1|Si<4>,1|H<1>,2|C<3>,3|C<4>,4|O<2>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O[6])(C[6]C[6]C)(O[6]Si[6]){2|C<3>,2|O<2>,5|C<4>,6|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	116.8170	0.000	1	116.8170	0.000	1	116.8170	0.000	1	119.3610	3.361	5	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:3:2:	3:3:2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-3:O-2:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6]C[6,6]C[6]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]O)(OH)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(OH)	C[6,6a](C[6,6]C[6,6]C[6]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]O)(OH){1|C<4>,1|O<2>,3|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(OH){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	120.6960	0.000	1	120.6960	0.000	1	120.6960	0.000	1	120.6960	0.000	1	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:3:3:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-3:N-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[6,6]C[6]N)(C[6,6a]N[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CO)(C[6]C[6]H)(NCH)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]C[6,6]C[6]N)(C[6,6a]N[6a]C[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CO)(C[6]C[6]H)(NCH){1|C<3>,1|N<2>,2|H<1>,3|C<4>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,1|O<2>,2|C<4>}	121.8400	0.201	2	121.8400	0.040	2	122.4300	1.064	3	122.4300	1.064	3	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:3:3:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-3:N-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[6,6]C[6]N)(C[6,6a]N[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HO)(C[6]C[6]H)(NCH)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]C[6,6]C[6]N)(C[6,6a]N[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HO)(C[6]C[6]H)(NCH){1|C<3>,1|N<2>,2|H<1>,3|C<4>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,1|O<2>,2|C<4>}	123.6100	0.000	1	123.6100	0.000	1	122.4300	1.064	3	122.4300	1.064	3	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:3:4:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[3,6]-4:C[5a,6,6]-3:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[5a,6,6]C[3,6]C)(C[6,6a]C[5,6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]O[3]H)(C[5a,6,6]C[5a,6]2)(CH3)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[5,6a]H)(H)	C[6,6a](C[6,6]C[5a,6,6]C[3,6]C)(C[6,6a]C[5,6a]C[6])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]O[3]H)(C[5a,6,6]C[5a,6]2)(CH3){1|O<2>,2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[5,6a]H)(H){2|C<4>,4|C<3>}	119.5930	0.000	1	119.5930	0.000	1	119.5930	0.000	1	120.6840	2.187	7	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:3:4:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-3:C-4:	C[6,6a]-3:C[5,6a]-3:H-1:	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]N[6]H)(C[6]C[6]H)(CCHH)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[5,6a]C[5,6a]O[5])(H)	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,5|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]N[6]H)(C[6]C[6]H)(CCHH){1|P<4>,2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[5,6a]C[5,6a]O[5])(H){1|O<2>,2|C<3>,4|C<4>}	120.4220	0.000	1	120.4220	0.000	1	120.4220	0.000	1	120.6840	2.187	7	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:3:4:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-3:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]H)(CH3)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,3|C<4>,5|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]H)(CH3){3|C<3>,3|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,3|C<4>}	118.4050	0.000	1	118.4050	0.000	1	121.1898	3.465	4	120.6840	2.187	7	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:3:4:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-3:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CH)(C[6]C[6,6a]O)(CCHH)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CH)(C[6]C[6,6a]O)(CCHH){1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|O<2>}	122.0290	0.081	2	122.0290	0.006	2	121.1898	3.465	4	120.6840	2.187	7	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:3:4:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-3:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CH)(C[6]C[6,6a]O)(CH3)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CH)(C[6]C[6,6a]O)(CH3){1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	122.2960	0.000	1	122.2960	0.000	1	121.1898	3.465	4	120.6840	2.187	7	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:3:4:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[6,6]C[6a]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CH)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]C)(H)	C[6,6a](C[6,6]C[6,6]C[6a]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<2>,3|C<3>,3|C<4>,6|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CH)(C[6a]C[6a]2)(C[6]C[6]HH){1|C<4>,1|N<3>,4|C<3>,6|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]C)(H){1|H<1>,2|C<3>,3|C<4>}	120.0140	0.000	1	120.0140	0.000	1	120.0140	0.000	1	120.6840	2.187	7	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:4:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[3x6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[3x6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[3x6]C[6]H)(C[6]C[6]HP)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]C[3x6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|P<4>,2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[3x6]C[6]H)(C[6]C[6]HP)(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	121.2470	0.000	1	121.2470	0.000	1	121.2470	0.000	1	121.4411	1.983	254	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:4:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]C)(H)	C[6,6a](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){3|C<3>,3|C<4>,5|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(H){1|N<3>,2|C<4>,3|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]C)(H){1|C<3>,2|H<1>,3|C<4>}	118.6580	0.000	1	118.6580	0.000	1	120.3781	4.549	9	121.4411	1.983	254	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:4:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]Cl)(H)	C[6,6a](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|Cl<1>,1|C<3>,3|C<4>,6|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(H){1|N<3>,2|C<4>,3|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]Cl)(H){1|C<3>,2|H<1>,3|C<4>}	118.1260	0.000	1	118.9980	1.521	2	120.3781	4.549	9	121.4411	1.983	254	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:4:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]Cl)(H)	C[6,6a](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|Cl<1>,2|C<3>,3|C<4>,5|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(H){1|N<3>,2|C<4>,3|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]Cl)(H){1|C<3>,2|H<1>,3|C<4>}	119.8700	0.000	1	118.9980	1.521	2	120.3781	4.549	9	121.4411	1.983	254	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:4:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]F)(H)	C[6,6a](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|F<1>,2|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(H){1|N<3>,2|C<4>,3|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]F)(H){2|C<3>,2|C<4>,2|H<1>}	121.0010	0.537	2	121.0010	0.289	2	120.3781	4.549	9	121.4411	1.983	254	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:4:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,6|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(H){1|N<3>,2|C<4>,3|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	121.3650	0.000	1	120.0087	3.884	3	120.3781	4.549	9	121.4411	1.983	254	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:4:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,6|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(H){1|N<3>,2|C<4>,3|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	120.9130	0.000	1	120.0087	3.884	3	120.3781	4.549	9	121.4411	1.983	254	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:4:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,3|C<4>,6|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(H){1|N<3>,2|C<4>,3|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|H<1>,3|C<4>}	117.7480	0.000	1	120.0087	3.884	3	120.3781	4.549	9	121.4411	1.983	254	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:4:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<3>,3|C<4>,6|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,2|O<2>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	124.7210	0.000	1	124.7210	0.000	1	120.3781	4.549	9	121.4411	1.983	254	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:4:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[6,6]-4:H-1:	C[6,6a]-3:C[5,6a]-3:H-1:	C[6,6a](C[6,6]C[5,6]C[6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5]H)(C[6,6]C[6]O[6]H)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[5,6a]C[5,6a]O[5])(H)	C[6,6a](C[6,6]C[5,6]C[6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|O<2>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5]H)(C[6,6]C[6]O[6]H)(H){1|O<2>,3|C<3>,3|H<1>,4|C<4>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[5,6a]C[5,6a]O[5])(H){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	121.4680	0.000	1	121.3800	0.015	2	121.3800	0.015	2	121.4411	1.983	254	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:4:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[6,6]-4:H-1:	C[6,6a]-3:C[5,6a]-3:H-1:	C[6,6a](C[6,6]C[5,6]C[6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5]H)(C[6,6]C[6]O[6]H)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[5,6a]C[5,6a]O[5])(H)	C[6,6a](C[6,6]C[5,6]C[6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H){1|C<3>,1|N<4>,1|O<1>,2|C<4>,2|O<2>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5]H)(C[6,6]C[6]O[6]H)(H){1|O<2>,3|C<3>,4|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[5,6a]C[5,6a]O[5])(H){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	121.2920	0.000	1	121.3800	0.015	2	121.3800	0.015	2	121.4411	1.983	254	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:4:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[6,6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[5,6]C[6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5]H)(C[6,6]C[6]O[6]H)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6]C[5,6]C[6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<4>,1|O<1>,2|C<3>,2|O<2>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5]H)(C[6,6]C[6]O[6]H)(H){1|C<2>,3|C<3>,3|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	123.3450	0.000	1	123.3450	0.000	1	123.3450	0.000	1	121.4411	1.983	254	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:4:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:N[6,6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[5,6]N[6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(N[6,6]C[6]2H)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]C[5,6]N[6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,4|C<4>,6|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(N[6,6]C[6]2H)(H){2|C<3>,3|C<4>,9|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<4>,1|O<2>,2|C<4>}	120.2620	0.000	1	120.2620	0.000	1	120.2620	0.000	1	121.4411	1.983	254	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:4:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[5,6a]-3:H-1:	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]N[6]H)(C[6]C[6]HO)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[5,6a]C[5,6a]O[5])(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|O<2>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]N[6]H)(C[6]C[6]HO)(H){1|C<4>,2|O<2>,3|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[5,6a]C[5,6a]O[5])(H){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	120.5580	0.000	1	120.5580	0.000	1	121.0123	0.531	3	121.4411	1.983	254	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:4:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[5,6a]-3:H-1:	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[5,6a]C[5,6a]O[5])(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|O<2>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(H){1|C<4>,2|O<2>,3|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[5,6a]C[5,6a]O[5])(H){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	121.8530	0.000	1	121.8530	0.000	1	121.0123	0.531	3	121.4411	1.983	254	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:4:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[5,6a]-3:H-1:	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]N[6]H)(C[6]C[6]HO)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[5,6a]C[5,6a]O[5])(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|O<2>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]N[6]H)(C[6]C[6]HO)(H){1|C<4>,2|O<2>,3|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[5,6a]C[5,6a]O[5])(H){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	120.6260	0.000	1	120.6260	0.000	1	121.0123	0.531	3	121.4411	1.983	254	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:4:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[5a,6a]-3:H-1:	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[5a,6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[5a,6a]C[5a,6a]2)(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[5a,6a]H){2|C<3>,3|C<4>,6|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,6|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[5a,6a]C[5a,6a]2)(H){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	119.8180	0.000	1	119.8180	0.000	1	119.8180	0.000	1	121.4411	1.983	254	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:4:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6,6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]CH)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6,6a]C[6,6a]O[6])(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6,6a]H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]CH)(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6,6a]C[6,6a]O[6])(H){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	122.6200	0.000	1	122.6200	0.000	1	122.6200	0.000	1	121.4411	1.983	254	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:4:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]2)(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,3|C<4>,6|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,6|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]2)(H){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	120.9310	0.000	1	120.9310	0.000	1	121.5549	1.843	204	121.4411	1.983	254	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:4:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]C)(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,4|C<4>,6|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,6|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,4|C<4>}	121.6660	0.000	1	121.6660	0.000	1	121.5549	1.843	204	121.4411	1.983	254	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:4:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,3|C<4>,7|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,3|C<4>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	120.9478	0.306	6	121.3409	0.693	130	121.5549	1.843	204	121.4411	1.983	254	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:4:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,3|C<4>,7|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,6|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|I<1>,3|C<4>}	120.6840	0.000	1	121.3409	0.693	130	121.5549	1.843	204	121.4411	1.983	254	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:4:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,3|C<4>,7|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,6|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	121.7420	0.000	1	121.3409	0.693	130	121.5549	1.843	204	121.4411	1.983	254	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:4:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,3|C<4>,7|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,6|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	121.3081	0.771	115	121.3409	0.693	130	121.5549	1.843	204	121.4411	1.983	254	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:4:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,3|C<4>,7|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,6|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,4|C<4>}	121.3825	0.235	4	121.3409	0.693	130	121.5549	1.843	204	121.4411	1.983	254	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:4:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,3|C<4>,7|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){2|C<3>,4|C<4>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	125.0400	0.000	1	121.3409	0.693	130	121.5549	1.843	204	121.4411	1.983	254	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:4:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,6|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	123.7230	0.000	1	121.3409	0.693	130	121.5549	1.843	204	121.4411	1.983	254	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:4:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,7|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	121.4710	0.000	1	121.3409	0.693	130	121.5549	1.843	204	121.4411	1.983	254	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:4:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,6|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	120.6290	0.198	2	120.6290	0.039	2	121.5549	1.843	204	121.4411	1.983	254	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:4:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]O)(C[6]C[6]HH)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]O)(C[6]C[6]HH)(H){2|C<4>,3|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	119.9490	0.000	1	119.9490	0.000	1	121.5549	1.843	204	121.4411	1.983	254	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:4:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,3|C<4>,7|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,6|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	121.9650	1.491	7	121.9650	2.222	7	121.5549	1.843	204	121.4411	1.983	254	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:4:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6,6a]HN)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|N<3>,6|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6,6a]HN)(H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	121.7080	0.288	2	121.7080	0.083	2	121.5549	1.843	204	121.4411	1.983	254	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:4:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]CH)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]C)(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,4|C<4>,5|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]CH)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	119.0610	0.000	1	119.0610	0.000	1	121.5549	1.843	204	121.4411	1.983	254	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:4:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)(C[6]C[6]HH)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,5|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)(C[6]C[6]HH)(H){4|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	122.2200	0.075	2	122.2200	0.006	2	121.5549	1.843	204	121.4411	1.983	254	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:4:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<4>,3|C<3>,6|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	121.5740	0.000	1	121.5740	0.000	1	121.5549	1.843	204	121.4411	1.983	254	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:4:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]CH)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,2|C<4>,4|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]CH)(H){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	119.9200	0.000	1	119.9200	0.000	1	121.5549	1.843	204	121.4411	1.983	254	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:4:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,3|C<4>,7|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,3|C<3>,6|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	120.4333	0.908	4	120.6413	0.949	12	121.5549	1.843	204	121.4411	1.983	254	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:4:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,3|C<4>,7|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<4>,1|S<2>,3|C<3>,6|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	120.1690	0.000	1	120.6413	0.949	12	121.5549	1.843	204	121.4411	1.983	254	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:4:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,3|C<4>,7|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|N<3>,2|C<3>,2|C<4>,6|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	119.1190	0.000	1	120.6413	0.949	12	121.5549	1.843	204	121.4411	1.983	254	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:4:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,3|C<4>,7|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,6|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	121.1125	0.885	6	120.6413	0.949	12	121.5549	1.843	204	121.4411	1.983	254	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:4:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HN)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]N)(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,3|N<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HN)(H){1|C<4>,4|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>,3|C<4>}	121.2360	0.000	1	121.2360	0.000	1	121.5549	1.843	204	121.4411	1.983	254	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:4:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]N[6]O)(C[6]C[6]HH)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]C)(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|O<1>,3|C<3>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]N[6]O)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]C)(H){1|H<1>,2|C<3>,3|C<4>}	120.4130	0.000	1	120.4130	0.000	1	121.5549	1.843	204	121.4411	1.983	254	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:4:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(C[6]C[6]FeH)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|Fe<7>,1|C<3>,2|C<4>,2|O<2>,5|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(C[6]C[6]FeH)(H){2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	119.6760	0.000	1	119.6760	0.000	1	121.5549	1.843	204	121.4411	1.983	254	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:4:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(C[6]C[6]HH)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,5|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(C[6]C[6]HH)(H){1|C<4>,3|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,3|C<4>}	124.1320	0.000	1	124.1320	0.000	1	121.5549	1.843	204	121.4411	1.983	254	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:4:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[5,6]HH)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<3>,1|S<4>,3|C<4>,5|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[5,6]HH)(H){1|C<4>,1|N<3>,2|O<2>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	124.1880	0.000	1	124.1880	0.000	1	121.5549	1.843	204	121.4411	1.983	254	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:4:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6a]H)(C[6]C[6,6a]C[6a]H)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,1|S<4>,4|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6a]H)(C[6]C[6,6a]C[6a]H)(H){1|N<3>,2|H<1>,8|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	118.4485	0.435	2	118.4485	0.189	2	121.5549	1.843	204	121.4411	1.983	254	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:4:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]H)(C[6]C[6a]N[6]H)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|S<4>,3|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]H)(C[6]C[6a]N[6]H)(H){1|N<3>,1|S<4>,2|H<1>,7|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	126.0120	0.000	1	126.0743	0.694	4	121.5549	1.843	204	121.4411	1.983	254	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:4:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]H)(C[6]C[6a]N[6]H)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]H)(C[6]C[6a]N[6]H)(H){1|N<3>,2|H<1>,8|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	126.0950	1.019	3	126.0743	0.694	4	121.5549	1.843	204	121.4411	1.983	254	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:4:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<3>,1|S<4>,3|C<4>,5|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|N<3>,1|O<2>,3|C<3>,6|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	118.9865	1.545	2	118.9865	2.387	2	121.5549	1.843	204	121.4411	1.983	254	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:4:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HN)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]Cl)(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|Cl<1>,1|N<3>,2|C<4>,3|C<3>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HN)(H){1|N<3>,4|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]Cl)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	124.2080	0.000	1	124.2080	0.000	1	121.5549	1.843	204	121.4411	1.983	254	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:4:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2N)(C[6]C[6]HH)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2N)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	122.9030	0.000	1	122.9030	0.000	1	121.5549	1.843	204	121.4411	1.983	254	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:4:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]CH)(C[6]C[6]CH)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]Br)(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|Br<1>,2|C<4>,3|C<3>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]CH)(C[6]C[6]CH)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]Br)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	119.6950	0.000	1	119.6950	0.000	1	121.5549	1.843	204	121.4411	1.983	254	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:4:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<3>,3|C<4>,5|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,2|O<2>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	122.6320	0.000	1	122.6320	0.000	1	121.5549	1.843	204	121.4411	1.983	254	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:4:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CH)(C[6]C[6]HH)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]Br)(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|Br<1>,1|C<4>,3|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CH)(C[6]C[6]HH)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,1|S<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]Br)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	121.2045	0.428	2	121.2045	0.183	2	121.5549	1.843	204	121.4411	1.983	254	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:4:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]CH)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]CH)(H){1|O<2>,2|C<4>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	121.4930	0.000	1	121.4930	0.000	1	121.5549	1.843	204	121.4411	1.983	254	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:4:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6,6]CH)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]Br)(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|Br<1>,1|C<4>,3|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6,6]CH)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]Br)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	122.3380	0.211	2	122.3380	0.044	2	121.5549	1.843	204	121.4411	1.983	254	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:4:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6,6a]CH)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]Br)(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|Br<1>,1|C<4>,3|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6,6a]CH)(H){1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]Br)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	121.5750	0.000	1	121.5750	0.000	1	121.5549	1.843	204	121.4411	1.983	254	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:4:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6,6a]CH)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,5|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6,6a]CH)(H){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	121.7020	0.000	1	121.7020	0.000	1	121.5549	1.843	204	121.4411	1.983	254	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:4:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]CH)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<3>,3|C<4>,5|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]CH)(H){2|O<2>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	123.8400	0.000	1	123.8400	0.000	1	121.5549	1.843	204	121.4411	1.983	254	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:4:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]HH)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,2|C<3>,6|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]HH)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	122.4830	0.000	1	122.4830	0.000	1	121.5549	1.843	204	121.4411	1.983	254	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:4:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]HO)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]C)(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]HO)(H){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]C)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	122.7050	0.000	1	122.7050	0.000	1	121.5549	1.843	204	121.4411	1.983	254	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:4:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]HS)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,1|S<4>,2|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]HS)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	122.3590	0.000	1	122.3590	0.000	1	121.5549	1.843	204	121.4411	1.983	254	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:4:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]H)(C[6]C[6a]O[6]H)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]H)(C[6]C[6a]O[6]H)(H){1|O<2>,2|H<1>,7|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	122.3670	0.380	2	122.3670	0.145	2	121.5549	1.843	204	121.4411	1.983	254	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:4:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]C)(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]C)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	124.2640	0.000	1	124.2640	0.000	1	121.5549	1.843	204	121.4411	1.983	254	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:4:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<3>,3|C<4>,5|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<4>,2|O<2>,4|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	122.9590	0.021	2	122.9590	0.000	2	121.5549	1.843	204	121.4411	1.983	254	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:4:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	123.6770	0.000	1	123.6770	0.000	1	121.5549	1.843	204	121.4411	1.983	254	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:4:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HN)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]Br)(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|Br<1>,1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HN)(H){1|O<1>,2|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]Br)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	124.2330	0.000	1	124.2330	0.000	1	121.5549	1.843	204	121.4411	1.983	254	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:4:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HN)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]Cl)(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|Cl<1>,1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HN)(H){1|O<1>,2|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]Cl)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	123.5870	0.000	1	123.5870	0.000	1	121.5549	1.843	204	121.4411	1.983	254	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:4:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HN)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HN)(H){1|C<4>,1|O<1>,2|C<3>,2|O<2>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	124.0130	0.000	1	124.3090	0.568	4	121.5549	1.843	204	121.4411	1.983	254	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:4:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HN)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HN)(H){1|O<1>,2|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	123.4230	0.000	1	124.3090	0.568	4	121.5549	1.843	204	121.4411	1.983	254	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:4:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HN)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HN)(H){1|O<2>,2|C<4>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	124.6410	0.000	1	124.3090	0.568	4	121.5549	1.843	204	121.4411	1.983	254	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:4:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HN)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HN)(H){1|O<2>,4|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	125.1590	0.000	1	124.3090	0.568	4	121.5549	1.843	204	121.4411	1.983	254	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:4:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2N)(C[6]C[6]CH)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2N)(C[6]C[6]CH)(H){1|O<2>,4|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	122.6550	0.000	1	122.6550	0.000	1	121.5549	1.843	204	121.4411	1.983	254	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:4:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2N)(C[6]C[6]HH)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]Br)(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|Br<1>,1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2N)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]Br)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	119.0910	0.000	1	119.0910	0.000	1	121.5549	1.843	204	121.4411	1.983	254	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:4:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]N[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]N[6a]C[6])(C[6a]C[6a]H){1|C<3>,4|C<4>,5|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,1|N<2>,3|C<4>,6|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|N<2>,2|H<1>,3|C<4>}	122.3280	0.000	1	122.3280	0.000	1	121.5549	1.843	204	121.4411	1.983	254	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:4:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6a,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6,6a]BrH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6,6])(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]H){2|Br<1>,1|C<4>,3|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6,6a]BrH)(H){1|C<4>,2|C<3>,2|H<1>,2|N<2>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6,6])(H){1|N<2>,2|C<3>,2|H<1>,3|C<4>}	120.4090	0.212	2	120.4090	0.045	2	120.4090	0.045	2	121.4411	1.983	254	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:4:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6a,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]N[6a]O[6])(C[6a]C[6a,6a]O)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]ClH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6,6])(O)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]N[6a]O[6])(C[6a]C[6a,6a]O){1|Cl<1>,2|C<3>,2|H<1>,4|C<4>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]ClH)(H){1|C<3>,1|N<3>,1|O<1>,2|H<1>,2|O<2>,4|C<4>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6,6])(O){1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	121.9600	0.328	2	121.9600	0.108	2	121.9600	0.108	2	121.4411	1.983	254	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:4:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:N[6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[6,6]N[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6a]H)(N[6]C[6]HH)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]C[6,6]N[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6a]H)(N[6]C[6]HH)(H){1|C<4>,1|N<2>,1|O<2>,2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<4>,1|O<2>,2|H<1>}	122.5000	0.000	1	122.5000	0.000	1	122.5000	0.000	1	121.4411	1.983	254	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:4:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:N[6,6]-4:H-1:	C[6,6a]-3:C[5,6a]-3:H-1:	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(N[6,6]C[6]2H)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[5,6a]C[5,6a]O[5])(H)	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(N[6,6]C[6]2H)(H){1|C<4>,4|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[5,6a]C[5,6a]O[5])(H){1|C<3>,1|H<1>,1|N<4>,1|O<2>,3|C<4>}	117.7005	0.035	2	117.7005	0.001	2	117.7005	0.001	2	121.4411	1.983	254	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:4:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:N[6,6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(N[6,6]C[6]2H)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(N[6,6]C[6]2H)(H){1|C<4>,4|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<4>,1|O<2>,2|C<4>}	118.4435	0.595	2	118.4435	0.354	2	118.4435	0.354	2	121.4411	1.983	254	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:4:1:	3:3:1:	C[6,6]-4:N[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[6,6]C[6]H)(N[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]N[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(H)	C[6a](C[6,6a]N[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(N[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,7|H<1>}	C[6,6](C[6,6a]N[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(H){2|C<3>,2|H<1>,3|C<4>}	C[6a](C[6,6a]N[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	120.8470	0.000	1	121.8102	0.738	4	121.4921	0.829	22	121.4411	1.983	254	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:4:1:	3:3:1:	C[6,6]-4:N[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[6,6]C[6]H)(N[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]N[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(H)	C[6a](C[6,6a]N[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(N[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<4>,1|O<1>,7|H<1>}	C[6,6](C[6,6a]N[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(H){2|C<3>,3|C<4>,3|H<1>}	C[6a](C[6,6a]N[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	122.1313	0.699	3	121.8102	0.738	4	121.4921	0.829	22	121.4411	1.983	254	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:4:1:	3:3:1:	C[6,6]-4:N[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[6,6]C[6]H)(N[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]N[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]N[6]HH)(H)	C[6a](C[6,6a]N[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(N[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<4>,1|O<1>,7|H<1>}	C[6,6](C[6,6a]N[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]N[6]HH)(H){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6,6a]N[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	121.5090	0.879	17	121.4214	0.864	18	121.4921	0.829	22	121.4411	1.983	254	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:4:1:	3:3:1:	C[6,6]-4:N[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[6,6]C[6]H)(N[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]N[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]N[6]HH)(H)	C[6a](C[6,6a]N[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(N[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,6|H<1>}	C[6,6](C[6,6a]N[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]N[6]HH)(H){2|C<3>,2|H<1>,3|C<4>}	C[6a](C[6,6a]N[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	119.9330	0.000	1	121.4214	0.864	18	121.4921	0.829	22	121.4411	1.983	254	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:4:1:	3:3:2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[3x6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6]C[3x6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]O)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[3x6]C[6]O)(C[6]C[6]HH)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]C)(OH)	C[6,6a](C[6,6]C[3x6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]O){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[3x6]C[6]O)(C[6]C[6]HH)(H){1|C<4>,2|H<1>,3|O<2>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]C)(OH){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	120.8205	0.579	2	120.8205	0.335	2	120.8205	0.335	2	121.5990	2.502	7	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:4:1:	3:3:2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CH)(C[6]O[6]CH)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CH)(C[6]O[6]CH)(H){1|C<4>,1|O<2>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	118.9600	0.000	1	118.9600	0.000	1	121.9104	3.244	5	121.5990	2.502	7	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:4:1:	3:3:2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]O)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]CH)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(OH)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]O){1|C<3>,3|C<4>,5|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]CH)(H){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	123.4810	0.000	1	123.4810	0.000	1	121.9104	3.244	5	121.5990	2.502	7	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:4:1:	3:3:2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]O)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]HH)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]O){1|C<3>,2|C<4>,6|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,2|H<1>,3|O<2>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	122.8115	0.063	2	122.8115	0.004	2	121.9104	3.244	5	121.5990	2.502	7	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:4:1:	3:3:2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]O)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(OH)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]O){1|C<3>,3|C<4>,5|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(H){2|O<2>,3|C<3>,3|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(OH){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	121.4880	0.000	1	121.4880	0.000	1	121.9104	3.244	5	121.5990	2.502	7	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:4:1:	3:3:4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]C)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]CH)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(CH3)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]C){1|C<3>,3|C<4>,5|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]CH)(H){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(CH3){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	123.8420	0.000	1	123.8420	0.000	1	124.1980	0.114	3	124.1980	0.114	3	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:4:1:	3:3:4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]C)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HO)(C[6]C[6]CH)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(CH3)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]C){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HO)(C[6]C[6]CH)(H){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(CH3){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	124.3760	0.195	2	124.3760	0.038	2	124.1980	0.114	3	124.1980	0.114	3	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:4:2:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[6,6]-4:O-2:	C[6,6a]-3:C[5,6a]-3:H-1:	C[6,6a](C[6,6]C[5,6]C[6,6]O)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5]H)(C[6,6]C[6]O[6]H)(OH)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[5,6a]C[5,6a]O[5])(H)	C[6,6a](C[6,6]C[5,6]C[6,6]O)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|O<2>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5]H)(C[6,6]C[6]O[6]H)(OH){1|O<2>,2|H<1>,3|C<4>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[5,6a]C[5,6a]O[5])(H){2|C<3>,2|O<2>,3|C<4>}	121.3945	0.616	2	121.3945	0.379	2	121.3945	0.379	2	121.2561	4.068	9	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:4:2:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[6,6]C[6]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]O)(C[6]C[6]HH)(OH)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]C[6,6]C[6]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]O)(C[6]C[6]HH)(OH){2|C<3>,3|C<4>,6|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<3>,2|O<2>,3|C<4>}	119.2280	0.000	1	119.2280	0.000	1	121.7044	2.866	5	121.2561	4.068	9	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:4:2:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[6,6]C[6]O)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2C)(C[6]C[6]HH)(OH)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]C[6,6]C[6]O)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){2|C<3>,3|C<4>,5|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2C)(C[6]C[6]HH)(OH){1|O<1>,2|C<3>,2|N<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	122.8067	0.706	3	122.8067	0.499	3	121.7044	2.866	5	121.2561	4.068	9	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:4:2:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[6,6]C[6]O)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]CH)(OH)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6]C[6,6]C[6]O)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]CH)(OH){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	120.8740	0.000	1	120.8740	0.000	1	121.7044	2.866	5	121.2561	4.068	9	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:4:2:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6,6]-4:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[6,6]C[6]O)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[3x6]C[6a]H)(C[6,6]C[6]2C)(OH)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]C[6,6]C[6]O)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|S<4>,3|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[3x6]C[6a]H)(C[6,6]C[6]2C)(OH){1|N<3>,2|C<4>,4|C<3>,6|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	122.8680	0.000	1	122.8680	0.000	1	122.8680	0.000	1	121.2561	4.068	9	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:4:2:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:N[6,6]-4:O-2:	C[6,6a]-3:C[5,6a]-3:H-1:	C[6,6a](C[6,6]N[6,6]C[6]O)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(N[6,6]C[6]2C)(OH)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[5,6a]C[5,6a]O[5])(H)	C[6,6a](C[6,6]N[6,6]C[6]O)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H){1|O<2>,2|C<3>,3|C<4>,5|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(N[6,6]C[6]2C)(OH){1|C<4>,4|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[5,6a]C[5,6a]O[5])(H){1|C<3>,1|N<4>,2|O<2>,3|C<4>}	117.1260	0.000	1	117.1260	0.000	1	117.1260	0.000	1	121.2561	4.068	9	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:4:2:	3:3:2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:O-2:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6]C[6,6]C[6]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O)(C[6]C[6]HH)(OH)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6]C[6,6]C[6]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|C<3>,1|O<1>,2|O<2>,3|C<4>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O)(C[6]C[6]HH)(OH){1|C<4>,1|O<2>,3|C<3>,6|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(OC){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	119.9850	0.000	1	120.0737	0.021	3	120.0737	0.021	3	120.0737	0.021	3	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:4:2:	3:3:2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:O-2:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6]C[6,6]C[6]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O)(C[6]C[6]HH)(OH)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6]C[6,6]C[6]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|C<3>,1|O<1>,2|O<2>,3|C<4>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O)(C[6]C[6]HH)(OH){1|C<4>,2|O<2>,3|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(OC){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	119.9950	0.000	1	120.0737	0.021	3	120.0737	0.021	3	120.0737	0.021	3	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:4:2:	3:3:2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:O-2:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6]C[6,6]C[6]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O)(C[6]C[6]HH)(OH)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6]C[6,6]C[6]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|C<3>,3|C<4>,3|O<2>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O)(C[6]C[6]HH)(OH){2|C<3>,2|C<4>,2|O<2>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	120.2410	0.000	1	120.0737	0.021	3	120.0737	0.021	3	120.0737	0.021	3	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:4:3:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]N[6]H)(C[6]C[6]HH)(COO)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,5|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]N[6]H)(C[6]C[6]HH)(COO){2|C<4>,2|O<2>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	123.1150	0.000	1	123.1150	0.000	1	123.1150	0.000	1	122.2830	1.384	2	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:4:3:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:N-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[6,6]C[6]N)(C[6,6a]N[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CO)(C[6]C[6]HH)(NCH)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]C[6,6]C[6]N)(C[6,6a]N[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CO)(C[6]C[6]HH)(NCH){1|C<3>,1|N<2>,3|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|N<2>,1|N<3>,1|O<2>,3|C<4>}	121.4510	0.000	1	121.4510	0.000	1	121.4510	0.000	1	122.2830	1.384	2	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:4:4:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[3,6]-4:C[5,6,6]-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[5,6,6]C[3,6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]O[3]H)(C[5,6,6]C[5,6]2H)(CH3)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]O[6a]O)(H)	C[6,6a](C[6,6]C[5,6,6]C[3,6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,2|O<2>,4|C<4>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]O[3]H)(C[5,6,6]C[5,6]2H)(CH3){1|O<2>,3|C<3>,3|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]O[6a]O)(H){1|C<3>,4|C<4>}	124.8720	0.000	1	124.8720	0.000	1	124.8720	0.000	1	120.1349	1.386	105	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:4:4:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6,6]-4:C[6]-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[5,6,6]C[6]C)(C[6,6a]C[5,6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6,6]C[5,6]2H)(C[6]C[6]SiH)(CH3)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[5,6a]H)(H)	C[6,6a](C[6,6]C[5,6,6]C[6]C)(C[6,6a]C[5,6a]C[6])(C[6a]C[6a]H){1|Si<4>,1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6,6]C[5,6]2H)(C[6]C[6]SiH)(CH3){1|C<4>,2|O<2>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[5,6a]H)(H){3|C<3>,3|C<4>}	119.9970	0.000	1	119.9970	0.000	1	119.9970	0.000	1	120.1349	1.386	105	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:4:4:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[5a,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[5a,6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]C[6,6])(H)	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[5a,6a]H){1|N<3>,2|C<3>,2|C<4>,6|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){2|C<4>,3|C<3>,5|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]C[6,6])(H){1|H<1>,3|C<3>,4|C<4>}	118.0880	0.375	2	118.0880	0.140	2	118.0880	0.140	2	120.1349	1.386	105	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:4:4:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[4,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,7|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[4,6]C[6]H)(C[6]C[6]HH)(CH3){3|C<3>,3|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,4|C<4>}	121.1040	0.000	1	121.1040	0.000	1	120.1299	1.143	100	120.1349	1.386	105	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:4:4:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,3|C<4>,7|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(CH3){2|C<3>,4|C<4>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,4|C<4>}	119.1410	0.000	1	119.9818	0.319	4	120.1299	1.143	100	120.1349	1.386	105	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:4:4:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(CH3){1|C<4>,4|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<3>,5|C<4>}	120.2820	0.000	1	119.9818	0.319	4	120.1299	1.143	100	120.1349	1.386	105	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:4:4:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(CH3){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,4|C<4>}	120.1690	0.000	1	119.9818	0.319	4	120.1299	1.143	100	120.1349	1.386	105	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:4:4:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(CH3){2|C<4>,3|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,4|C<4>}	120.3350	0.000	1	119.9818	0.319	4	120.1299	1.143	100	120.1349	1.386	105	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:4:4:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(CH3){1|N<3>,2|C<3>,2|C<4>,6|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,4|C<4>}	119.0300	0.000	1	119.0300	0.000	1	120.1299	1.143	100	120.1349	1.386	105	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:4:4:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CH)(C[6]C[6]HH)(CH3)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CH)(C[6]C[6]HH)(CH3){1|C<4>,1|N<4>,2|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,4|C<4>}	120.6770	0.000	1	120.6770	0.000	1	120.1299	1.143	100	120.1349	1.386	105	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:4:4:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,3|C<4>,7|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){2|C<3>,4|C<4>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,4|C<4>}	120.2083	0.169	3	120.1908	0.112	6	120.1299	1.143	100	120.1349	1.386	105	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:4:4:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,3|C<4>,7|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){2|C<3>,4|C<4>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<3>,5|C<4>}	120.4305	0.326	2	120.1908	0.112	6	120.1299	1.143	100	120.1349	1.386	105	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:4:4:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,3|C<4>,7|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){3|C<3>,3|C<4>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,4|C<4>}	119.6590	0.000	1	120.1908	0.112	6	120.1299	1.143	100	120.1349	1.386	105	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:4:4:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<2>,1|C<3>,1|N<3>,1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){2|C<3>,4|C<4>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(H){1|C<3>,1|O<2>,4|C<4>}	119.4200	0.000	1	118.8745	0.206	4	120.1299	1.143	100	120.1349	1.386	105	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:4:4:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|O<2>,3|C<4>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){2|C<3>,4|C<4>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(H){1|C<3>,1|O<2>,4|C<4>}	119.0300	0.000	1	118.8745	0.206	4	120.1299	1.143	100	120.1349	1.386	105	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:4:4:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|O<2>,4|C<4>,5|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){2|C<3>,4|C<4>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(H){1|C<3>,1|O<2>,4|C<4>}	118.5240	0.228	2	118.8745	0.206	4	120.1299	1.143	100	120.1349	1.386	105	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:4:4:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]Br)(H)	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|N<3>,3|C<4>,5|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){3|C<3>,3|C<4>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]Br)(H){1|C<3>,1|N<3>,4|C<4>}	118.4190	0.000	1	119.2135	1.262	2	120.1299	1.143	100	120.1349	1.386	105	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:4:4:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]Br)(H)	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|Br<1>,1|C<3>,3|C<4>,6|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){3|C<3>,3|C<4>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]Br)(H){1|C<3>,5|C<4>}	120.0080	0.000	1	119.2135	1.262	2	120.1299	1.143	100	120.1349	1.386	105	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:4:4:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]C)(H)	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<2>,1|C<3>,3|C<4>,6|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,3|C<4>,6|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,4|C<4>}	119.6130	0.321	2	120.6392	0.994	9	120.1299	1.143	100	120.1349	1.386	105	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:4:4:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]C)(H)	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<2>,1|C<3>,3|C<4>,6|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<4>,3|C<3>,6|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,4|C<4>}	120.8732	1.166	4	120.6392	0.994	9	120.1299	1.143	100	120.1349	1.386	105	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:4:4:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]C)(H)	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|O<1>,4|C<4>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){3|C<3>,3|C<4>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]C)(H){1|O<2>,2|C<3>,3|C<4>}	121.3870	0.421	2	120.6392	0.994	9	120.1299	1.143	100	120.1349	1.386	105	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:4:4:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]C)(H)	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,3|C<4>,6|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){3|C<3>,3|C<4>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]C)(H){1|C<3>,5|C<4>}	120.2600	0.000	1	120.6392	0.994	9	120.1299	1.143	100	120.1349	1.386	105	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:4:4:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]Cl)(H)	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|Cl<1>,1|C<3>,3|C<4>,6|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,3|C<4>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]Cl)(H){1|C<3>,1|H<1>,4|C<4>}	118.5980	0.000	1	119.2985	0.981	2	120.1299	1.143	100	120.1349	1.386	105	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:4:4:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]Cl)(H)	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|Cl<1>,1|C<3>,3|C<4>,6|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){3|C<3>,3|C<4>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]Cl)(H){1|C<3>,5|C<4>}	119.9990	0.000	1	119.2985	0.981	2	120.1299	1.143	100	120.1349	1.386	105	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:4:4:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<4>,4|C<3>,6|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,4|C<4>}	119.9280	0.000	1	120.2255	1.142	54	120.1299	1.143	100	120.1349	1.386	105	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:4:4:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,3|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,4|C<4>}	120.2580	0.000	1	120.2255	1.142	54	120.1299	1.143	100	120.1349	1.386	105	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:4:4:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,3|C<4>,6|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){3|C<3>,3|C<4>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){2|C<3>,4|C<4>}	122.0220	0.000	1	120.2255	1.142	54	120.1299	1.143	100	120.1349	1.386	105	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:4:4:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,3|C<4>,7|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<2>,2|C<3>,3|C<4>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,4|C<4>}	121.3730	0.000	1	120.2255	1.142	54	120.1299	1.143	100	120.1349	1.386	105	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:4:4:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,3|C<4>,7|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|N<2>,2|C<3>,3|C<4>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<3>,5|C<4>}	121.6770	0.000	1	120.2255	1.142	54	120.1299	1.143	100	120.1349	1.386	105	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:4:4:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,3|C<4>,7|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,4|C<4>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,4|C<4>}	120.6147	0.963	3	120.2255	1.142	54	120.1299	1.143	100	120.1349	1.386	105	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:4:4:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,3|C<4>,7|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,4|C<4>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,4|C<4>}	119.7973	0.499	8	120.2255	1.142	54	120.1299	1.143	100	120.1349	1.386	105	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:4:4:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,3|C<4>,7|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,4|C<4>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<3>,5|C<4>}	120.4625	1.135	15	120.2255	1.142	54	120.1299	1.143	100	120.1349	1.386	105	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:4:4:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,3|C<4>,7|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){3|C<3>,3|C<4>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,4|C<4>}	118.7640	0.000	1	120.2255	1.142	54	120.1299	1.143	100	120.1349	1.386	105	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:4:4:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,3|C<4>,7|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){3|C<3>,3|C<4>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<3>,5|C<4>}	120.4527	1.115	15	120.2255	1.142	54	120.1299	1.143	100	120.1349	1.386	105	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:4:4:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,4|C<4>,6|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,4|C<4>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,4|C<4>}	119.2827	0.394	4	120.2255	1.142	54	120.1299	1.143	100	120.1349	1.386	105	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:4:4:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,4|C<4>,6|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){3|C<3>,3|C<4>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,4|C<4>}	118.3170	0.000	1	120.2255	1.142	54	120.1299	1.143	100	120.1349	1.386	105	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:4:4:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<3>,5|C<4>}	119.3780	0.000	2	120.2255	1.142	54	120.1299	1.143	100	120.1349	1.386	105	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:4:4:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]N)(H)	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,3|C<4>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<4>,4|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]N)(H){1|N<3>,2|C<3>,3|C<4>}	121.1720	0.000	1	120.0365	2.579	2	120.1299	1.143	100	120.1349	1.386	105	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:4:4:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]N)(H)	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|N<3>,3|C<4>,6|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){3|C<3>,3|C<4>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,4|C<4>}	118.9010	0.000	1	120.0365	2.579	2	120.1299	1.143	100	120.1349	1.386	105	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:4:4:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<4>,5|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(H){1|H<1>,2|C<3>,3|C<4>}	121.5350	0.000	1	119.9638	1.806	13	120.1299	1.143	100	120.1349	1.386	105	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:4:4:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){3|C<3>,3|C<4>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(H){2|C<3>,4|C<4>}	121.6020	0.000	1	119.9638	1.806	13	120.1299	1.143	100	120.1349	1.386	105	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:4:4:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<4>,3|C<3>,6|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,4|C<4>}	119.0850	0.000	1	119.9638	1.806	13	120.1299	1.143	100	120.1349	1.386	105	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:4:4:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){3|C<3>,3|C<4>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,4|C<4>}	118.8762	0.671	5	119.9638	1.806	13	120.1299	1.143	100	120.1349	1.386	105	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:4:4:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){3|C<3>,3|C<4>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(H){1|C<3>,5|C<4>}	120.2635	0.694	2	119.9638	1.806	13	120.1299	1.143	100	120.1349	1.386	105	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:4:4:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|O<2>,4|C<4>,5|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,2|C<4>,7|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(H){1|C<3>,1|O<2>,4|C<4>}	118.9340	0.000	1	119.9638	1.806	13	120.1299	1.143	100	120.1349	1.386	105	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:4:4:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<1>,3|C<3>,3|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(H){1|O<2>,2|C<3>,3|C<4>}	121.5620	0.000	1	119.9638	1.806	13	120.1299	1.143	100	120.1349	1.386	105	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:4:4:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){3|C<3>,3|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(H){2|C<3>,4|C<4>}	121.9030	0.000	1	119.9638	1.806	13	120.1299	1.143	100	120.1349	1.386	105	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:4:4:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]S[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CCCH)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]S[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CCCH){1|S<2>,4|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<2>,3|C<4>}	121.0500	0.000	1	121.0500	0.000	1	120.1299	1.143	100	120.1349	1.386	105	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:4:4:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6a,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6,6])(H)	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<4>,3|C<3>,6|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6,6])(H){1|O<2>,3|C<4>,4|C<3>}	120.1310	0.000	1	120.1310	0.000	1	120.1310	0.000	1	120.1349	1.386	105	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:4:4:	3:3:2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[5a,6a]-3:C[6,6a]-3:O-2:	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[5a,6a]O)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6,6a]C[6,6a]C[6,6])(OH)	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[5a,6a]O){1|C<3>,1|O<1>,2|O<2>,3|C<4>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,4|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6,6a]C[6,6a]C[6,6])(OH){3|C<4>,4|C<3>}	120.6140	0.000	1	120.6140	0.000	1	120.6140	0.000	1	121.8706	3.527	16	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:4:4:	3:3:2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6a]-3:C[5,6a]-3:O-2:	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]O)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[5,6a]C[5,6a]O[5])(OH)	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]O){1|C<3>,1|O<1>,2|O<2>,3|C<4>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<2>,3|C<3>,3|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[5,6a]C[5,6a]O[5])(OH){2|C<3>,5|C<4>}	120.5535	0.360	4	120.5535	0.130	4	120.5535	0.130	4	121.8706	3.527	16	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:4:4:	3:3:2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|C<3>,3|C<4>,7|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,4|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(OC){1|C<3>,1|O<2>,4|C<4>}	122.2625	0.893	2	122.2625	0.798	2	122.4638	4.013	11	121.8706	3.527	16	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:4:4:	3:3:2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]HH)(CH3)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|C<3>,2|C<4>,8|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]HH)(CH3){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,4|C<4>}	123.2280	0.000	1	122.0300	2.870	2	122.4638	4.013	11	121.8706	3.527	16	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:4:4:	3:3:2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]HH)(CH3)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|C<4>,2|C<3>,8|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]HH)(CH3){1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(OC){1|C<3>,1|O<2>,4|C<4>}	120.8320	0.000	1	122.0300	2.870	2	122.4638	4.013	11	121.8706	3.527	16	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:4:4:	3:3:2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(OH)	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(OH){2|C<3>,4|C<4>}	120.8370	0.000	1	121.5748	0.968	5	122.4638	4.013	11	121.8706	3.527	16	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:4:4:	3:3:2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(OH)	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|O<1>,2|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(OH){2|C<3>,4|C<4>}	121.7593	1.031	4	121.5748	0.968	5	122.4638	4.013	11	121.8706	3.527	16	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:4:4:	3:3:2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HO)(CCHH)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(OC)	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){2|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HO)(CCHH){1|C<4>,3|C<3>,3|H<1>,3|O<2>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>,3|C<4>}	122.8870	0.000	1	122.8870	0.000	1	122.4638	4.013	11	121.8706	3.527	16	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:4:4:	3:3:2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]N[6])(C[6a]C[6a]O)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]N[6])(C[6a]C[6a]O){2|C<3>,3|C<4>,5|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|N<3>,1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(OC){1|C<3>,1|N<3>,1|O<2>,3|C<4>}	127.7560	0.000	1	127.7560	0.000	1	122.4638	4.013	11	121.8706	3.527	16	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:4:4:	3:3:3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6a]-3:C[6a]-3:C-3:	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]O[6])(C[6a]C[6a]C)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(CHO)	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]O[6])(C[6a]C[6a]C){1|C<3>,2|O<2>,3|C<4>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|O<2>,3|C<3>,3|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(CHO){1|C<3>,1|O<2>,4|C<4>}	124.2125	0.052	2	124.2125	0.003	2	124.2125	0.003	2	124.2125	0.003	2	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6,6]-4:C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[5,6a]-3:H-1:	C[6,6a](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)	C[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[5,6a]C[5,6a]O[5])(H)	C[6,6a](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,5|H<1>}	C[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|Br<1>,2|C<3>,2|H<1>,4|C<4>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[5,6a]C[5,6a]O[5])(H){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	118.6590	0.000	1	118.6590	0.000	1	118.4735	0.069	2	121.2339	2.650	17	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6,6]-4:C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[5,6a]-3:H-1:	C[6,6a](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)	C[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[5,6a]C[5,6a]O[5])(H)	C[6,6a](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H){1|O<2>,2|C<3>,3|H<1>,4|C<4>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[5,6a]C[5,6a]O[5])(H){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	118.2880	0.000	1	118.2880	0.000	1	118.4735	0.069	2	121.2339	2.650	17	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6,6]-4:C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[5,6,6]C[6,6a]N[5,6]C[5])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,4|C<3>,5|H<1>}	C[6,6](C[5,6,6]C[6,6a]N[5,6]C[5])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,2|H<1>,7|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	119.7565	0.933	2	119.7565	0.870	2	121.2014	0.754	10	121.2339	2.650	17	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6,6]-4:C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	C[6,6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	121.5626	0.316	8	121.5626	0.100	8	121.2014	0.754	10	121.2339	2.650	17	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[6,6a]-3:N[6,6]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[5,6]N[6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[5,6]C[5,6]C[6a]C[5])(C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]C[5,6]N[6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){3|C<3>,3|C<4>,4|H<1>}	C[6,6](C[5,6]C[5,6]C[6a]C[5])(C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(H){1|O<1>,3|C<4>,4|C<3>,7|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	123.2295	0.183	2	123.2295	0.034	2	121.8653	5.600	3	121.2339	2.650	17	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[6,6a]-3:N[6,6]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[5,6]N[6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6]C[5,6]N[6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,2|C<4>,3|H<1>,4|C<3>}	C[6,6](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(H){1|C<4>,1|N<3>,1|O<1>,5|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	119.1370	0.000	1	119.1370	0.000	1	121.8653	5.600	3	121.2339	2.650	17	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:C[6,6a]-3:N[6,6]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[6,6]N[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]C[6,6]N[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6,6](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(H){1|C<4>,1|O<1>,1|O<2>,3|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|O<2>}	123.2095	0.298	2	123.2095	0.089	2	123.2095	0.089	2	121.2339	2.650	17	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	4:3:3:1:	3:3:2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6,6]-4:C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	C[6,6](C[5,6,6]C[6,6a]C[5,6]N[5])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]Br)(OC)	C[6,6a](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|Br<1>,1|N<3>,4|C<3>,4|H<1>}	C[6,6](C[5,6,6]C[6,6a]C[5,6]N[5])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|O<2>,2|C<4>,6|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]Br)(OC){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	118.6920	0.000	1	118.6920	0.000	1	118.6920	0.000	1	118.6920	0.000	1	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	4:3:3:2:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[3x6]-4:C[6,6a]-3:C[6]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[3x6]C[6]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[3x6]C[6,6a]O[6,6]C[6])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(OH)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]C[3x6]C[6]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[6,6](C[3x6]C[6,6a]O[6,6]C[6])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(OH){2|C<4>,4|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	118.1080	0.000	1	118.1080	0.000	1	118.1080	0.000	1	118.1080	0.000	1	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[3x6]-4:C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[5,6a]-3:H-1:	C[6,6a](C[6,6]C[3x6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[5,6a]H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[5,6a]C[5,6a]O[5])(H)	C[6,6a](C[6,6]C[3x6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[5,6a]H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H){1|C<4>,2|H<1>,2|O<2>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[5,6a]C[5,6a]O[5])(H){1|C<3>,1|H<1>,2|O<2>,3|C<4>}	120.4130	0.000	1	120.4130	0.000	1	120.4130	0.000	1	121.8880	7.246	11	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6,6]-4:C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[5,6a]-3:H-1:	C[6,6a](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)	C[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[5,6a]C[5,6a]O[5])(H)	C[6,6a](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H){1|C<4>,1|N<3>,2|C<3>,2|O<2>,5|H<1>}	C[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H){1|O<2>,2|H<1>,3|C<3>,3|C<4>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[5,6a]C[5,6a]O[5])(H){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	118.7280	0.000	1	118.7280	0.000	1	118.7280	0.000	1	121.8880	7.246	11	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6,6]-4:C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H){2|C<3>,4|C<4>,6|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	122.8350	0.000	1	122.8350	0.000	1	123.2182	7.829	6	121.8880	7.246	11	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6,6]-4:C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<4>,2|C<3>,2|O<2>,5|H<1>}	C[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H){1|O<1>,1|O<2>,2|H<1>,3|C<3>,3|C<4>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	121.6850	0.000	1	121.6850	0.000	1	123.2182	7.829	6	121.8880	7.246	11	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6,6]-4:C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[5,6,6]C[6,6a]N[5,6]C[5])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,6|H<1>}	C[6,6](C[5,6,6]C[6,6a]N[5,6]C[5])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H){2|C<4>,3|H<1>,7|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	119.9870	0.000	1	119.9870	0.000	1	123.2182	7.829	6	121.8880	7.246	11	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6,6]-4:C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6,6](C[5,6,6]C[5,6a]C[5,6]C[6])(C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|N<3>,2|C<4>,3|C<3>,4|H<1>}	C[6,6](C[5,6,6]C[5,6a]C[5,6]C[6])(C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H){1|C<4>,2|N<3>,4|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	126.5545	1.272	2	126.5545	1.618	2	123.2182	7.829	6	121.8880	7.246	11	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6,6]-4:C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HP)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|P<4>,2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HP)(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	121.6930	0.000	1	121.6930	0.000	1	123.2182	7.829	6	121.8880	7.246	11	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[5,6]C[6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[5,6]C[5,6a]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]C[5,6]C[6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,3|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,6a]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O)(H){1|O<2>,2|C<4>,5|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	118.6420	0.000	1	118.6420	0.000	1	120.7727	3.405	3	121.8880	7.246	11	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[5,6]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[5,6]C[5,6a]C[5a,6]C[5])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]C[5,6]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	C[6,6](C[5,6]C[5,6a]C[5a,6]C[5])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(H){1|H<1>,1|N<3>,1|O<1>,1|O<2>,7|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	121.8380	0.011	2	121.8380	0.000	2	120.7727	3.405	3	121.8880	7.246	11	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	4:3:4:1:	3:3:2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6,6]-4:C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6,6a]-3:O-2:	C[6,6a](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6,6a]O)	C[6,6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6,6a]C[6,6a]C[6])(OH)	C[6,6a](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6,6a]O){1|H<1>,3|C<3>,5|C<4>}	C[6,6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>,3|O<2>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6,6a]C[6,6a]C[6])(OH){2|C<3>,2|H<1>,2|O<2>,3|C<4>}	123.1810	0.000	1	123.1810	0.000	1	123.1810	0.000	1	121.2865	2.204	4	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	4:3:4:1:	3:3:2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6,6]-4:C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H){1|O<2>,2|C<3>,4|C<4>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>,3|C<4>}	120.1055	0.125	2	120.1055	0.016	2	120.6550	0.914	3	121.2865	2.204	4	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	4:3:4:1:	3:3:2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6,6]-4:C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	C[6,6](C[5,6,6]C[6,6a]C[5,6]N[5])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|N<3>,2|C<3>,2|C<4>,6|H<1>}	C[6,6](C[5,6,6]C[6,6a]C[5,6]N[5])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H){1|O<2>,3|C<4>,3|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	121.7540	0.000	1	121.7540	0.000	1	120.6550	0.914	3	121.2865	2.204	4	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6a]	4:3:3:	4:3:4:4:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[6,6a]-3:C[6]-4:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6]C[5,6]C[6]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[5,6]C[5,6a]N[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)2	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6]C[5,6]C[6]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,9|H<1>}	C[6,6](C[5,6]C[5,6a]N[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)2{2|C<4>,5|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,4|C<4>}	119.1550	0.000	2	119.1550	0.000	2	119.1550	0.000	2	119.1550	0.000	2	120.9536	3.948	1113	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:2:2:1:	3:3:2:	C[6,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:O-2:H-1:	C[6,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6,6a]C[6,6a]O[6])(C[6]O[6]HO)	C[6](C[6,6a]C[6,6a]2)(O[6]C[5,6])(OC)(H)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(O[6]C[6])	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6,6a]C[6,6a]O[6])(C[6]O[6]HO){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	C[6](C[6,6a]C[6,6a]2)(O[6]C[5,6])(OC)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(O[6]C[6]){2|C<3>,2|O<2>,3|C<4>,3|H<1>}	123.0575	0.139	2	123.0575	0.019	2	123.0575	0.019	2	123.0575	0.019	2	121.2660	4.591	101	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6]-4:	N[6,6]-3:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:N[6,6]-3:	C[6,6a](C[6,6a]C[6,6a]N[6,6])2(C[6]N[6,6]HH)	C[6](N[6,6]C[6,6a]C[6,6])(C[6,6a]C[6,6a]2)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6])2(N[6,6]C[6,6]C[6])	C[6,6a](C[6,6a]C[6,6a]N[6,6])2(C[6]N[6,6]HH){2|C<3>,6|C<4>}	C[6](N[6,6]C[6,6a]C[6,6])(C[6,6a]C[6,6a]2)(H)2{2|H<1>,2|N<3>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6])2(N[6,6]C[6,6]C[6]){2|C<3>,4|N<3>,8|H<1>}	120.1242	0.364	10	120.1242	0.133	10	120.1242	0.133	10	120.1242	0.133	10	121.2660	4.591	101	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:1:1:	3:3:4:	C[6,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:F-1:F-1:	C[6,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6,6a]C[6,6a]C[6])(C[6]C[6]FF)	C[6](C[6,6a]C[6,6a]2)(C[6]C[5a,6]O)(F)2	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(C[6]C[6]HH)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6,6a]C[6,6a]C[6])(C[6]C[6]FF){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]2)(C[6]C[5a,6]O)(F)2{1|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(C[6]C[6]HH){2|F<1>,3|C<3>,3|C<4>,3|H<1>}	121.3150	0.000	1	121.3150	0.000	1	121.3150	0.000	1	121.3150	0.000	1	121.2660	4.591	101	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:3:4:	3:3:4:	C[6,6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:C-4:	C[6,6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[6,6a]C[6,6a,6a]C[6])(C[6]C[6,6a]C[6a]C)	C[6](C[6,6a]C[6,6a,6a]C[5a,6a])(C[6,6a]C[6,6a,6a]C[6,6a])(C[6a]C[6a]2)(CCHH)	C[6,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[6,6a]C[6,6a,6a]C[6])(C[6]C[6a]C[6]C)	C[6,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[6,6a]C[6,6a,6a]C[6])(C[6]C[6,6a]C[6a]C){10|C<3>,1|C<4>}	C[6](C[6,6a]C[6,6a,6a]C[5a,6a])(C[6,6a]C[6,6a,6a]C[6,6a])(C[6a]C[6a]2)(CCHH){1|C<4>,2|H<1>,8|C<3>}	C[6,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[6,6a]C[6,6a,6a]C[6])(C[6]C[6a]C[6]C){1|C<4>,1|O<1>,9|C<3>}	129.2680	0.000	1	129.2680	0.000	1	129.2680	0.000	1	130.9235	5.481	2	121.2660	4.591	101	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:3:4:	3:3:4:	C[6,6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C[6a]-3:C-4:	C[6,6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[6,6a]C[6,6a,6a]C[6])(C[6]C[6a]C[6]C)	C[6](C[6,6a]C[6,6a,6a]C[6,6a])(C[6]C[6,6a]O)(C[6a]C[6a]2)(CCHH)	C[6,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[6,6a]C[6,6a,6a]C[6])(C[6]C[6,6a]C[6a]C)	C[6,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[6,6a]C[6,6a,6a]C[6])(C[6]C[6a]C[6]C){1|C<4>,1|O<1>,9|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6,6a])(C[6]C[6,6a]O)(C[6a]C[6a]2)(CCHH){1|C<4>,2|H<1>,6|C<3>}	C[6,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[6,6a]C[6,6a,6a]C[6])(C[6]C[6,6a]C[6a]C){10|C<3>,1|C<4>}	132.5790	0.000	1	132.5790	0.000	1	132.5790	0.000	1	130.9235	5.481	2	121.2660	4.591	101	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:4:1:	3:3:2:	C[6,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6,6a]O[6])(C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)	C[6](C[6,6a]C[6,6a]2)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(O[6]C[6])	C[6,6a](C[6,6a]C[6,6a]O[6])(C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H){2|C<4>,2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]2)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<1>,2|H<1>,2|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(O[6]C[6]){1|O<1>,2|C<3>,2|H<1>,2|O<2>,3|C<4>}	123.0640	0.000	1	123.0640	0.000	1	123.0640	0.000	1	123.0640	0.000	1	121.2660	4.591	101	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:4:4:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]N[6])(C[6]C[6,6a]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]2)(CH3)2	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]N[6])(C[6]C[6,6a]CC){1|C<4>,2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]2)(CH3)2{1|H<1>,2|N<3>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(N[6]C[6,6a]H){1|H<1>,1|N<3>,4|C<3>,4|C<4>}	121.5500	0.041	2	121.5500	0.002	2	121.5500	0.002	2	121.5500	0.002	2	121.2660	4.591	101	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:2:	C[6,6,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6,6a]C[6,6a]O[6])(C[6]C[6]HH)	C[6](C[6,6a]C[6,6,6a]C[6,6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6,6,6a]C[6])(C[6,6a]C[5,6]C[6a])(O[6]C[6,6a])	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6,6a]C[6,6a]O[6])(C[6]C[6]HH){2|C<3>,2|H<1>,4|C<4>}	C[6](C[6,6a]C[6,6,6a]C[6,6a])(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6,6,6a]C[6])(C[6,6a]C[5,6]C[6a])(O[6]C[6,6a]){1|C<4>,1|N<3>,1|O<2>,3|H<1>,4|C<3>}	120.5200	0.775	4	120.5200	0.600	4	120.5200	0.600	4	121.2450	3.177	23	121.2660	4.591	101	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6,6a]O[6])(C[6,6a]C[6a]O[6])(C[6]C[6,6]HH)	C[6](C[6,6a]C[6,6a]2)(C[6,6]C[6,6]2H)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(O[6]C[6])	C[6,6a](C[6,6a]C[6,6a]O[6])(C[6,6a]C[6a]O[6])(C[6]C[6,6]HH){2|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6a]C[6,6a]2)(C[6,6]C[6,6]2H)(H)2{2|C<3>,2|O<2>,5|C<4>}	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(O[6]C[6]){1|C<3>,1|O<1>,2|H<1>,2|O<2>,4|C<4>}	122.0787	0.391	3	122.0787	0.153	3	122.0787	0.153	3	121.2450	3.177	23	121.2660	4.591	101	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6,6,6a]O[6])(C[6,6a]C[6a]C[6])(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]CO)(H)2	C[6,6a](C[6,6,6a]C[5,6,6]C[6,6a])(C[6,6a]C[6,6a]C[6])(O[6]C[6,6])	C[6,6a](C[6,6a]C[6,6,6a]O[6])(C[6,6a]C[6a]C[6])(C[6]C[6]HH){1|C<3>,2|H<1>,2|O<2>,4|C<4>}	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]CO)(H)2{1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[6,6a](C[6,6,6a]C[5,6,6]C[6,6a])(C[6,6a]C[6,6a]C[6])(O[6]C[6,6]){1|O<2>,2|H<1>,3|C<3>,5|C<4>}	121.5320	0.000	1	121.5320	0.000	1	121.5320	0.000	1	121.2450	3.177	23	121.2660	4.591	101	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6,6a]O[6])(C[6,6a]C[6a]C[6])(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6,6a]C[6,6a]C[6])(O[6]C[6,6])	C[6,6a](C[6,6a]C[6,6a]O[6])(C[6,6a]C[6a]C[6])(C[6]C[6]HH){1|C<3>,3|C<4>,5|H<1>}	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6,6a]C[6,6a]C[6])(O[6]C[6,6]){1|O<2>,3|C<3>,3|C<4>,4|H<1>}	119.9210	0.000	1	119.9210	0.000	1	121.2525	4.536	15	121.2450	3.177	23	121.2660	4.591	101	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6,6a]O[6])(C[6,6a]C[6a]C[6])(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HO)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(O[6]C[6])	C[6,6a](C[6,6a]C[6,6a]O[6])(C[6,6a]C[6a]C[6])(C[6]C[6]HH){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HO)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(O[6]C[6]){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	120.5850	0.000	1	120.5850	0.000	1	121.2525	4.536	15	121.2450	3.177	23	121.2660	4.591	101	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6,6a]O[6])(C[6,6a]C[6a]N[6])(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6,6a]C[6,6a]C[6])(O[6]C[6,6a])	C[6,6a](C[6,6a]C[6,6a]O[6])(C[6,6a]C[6a]N[6])(C[6]C[6]HH){2|C<3>,2|H<1>,4|C<4>}	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6,6a]C[6,6a]C[6])(O[6]C[6,6a]){1|C<4>,1|N<3>,1|O<2>,3|H<1>,4|C<3>}	118.2190	0.129	2	118.2190	0.017	2	121.2525	4.536	15	121.2450	3.177	23	121.2660	4.591	101	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6,6a]O[6])(C[6,6a]C[6a]N[6])(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(O[6]C[6,6a])	C[6,6a](C[6,6a]C[6,6a]O[6])(C[6,6a]C[6a]N[6])(C[6]C[6]HH){2|H<1>,3|C<3>,3|C<4>}	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(O[6]C[6,6a]){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	120.0055	0.285	2	120.0055	0.081	2	121.2525	4.536	15	121.2450	3.177	23	121.2660	4.591	101	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6,6a]O[6])(C[6,6a]C[6a]O[6])(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]CH)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(O[6]C[6])	C[6,6a](C[6,6a]C[6,6a]O[6])(C[6,6a]C[6a]O[6])(C[6]C[6]HH){1|H<1>,2|C<3>,4|C<4>}	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]CH)(H)2{2|C<3>,2|C<4>,2|O<2>}	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(O[6]C[6]){1|C<3>,2|O<2>,4|C<4>,4|H<1>}	121.0055	0.349	2	121.0055	0.122	2	121.2525	4.536	15	121.2450	3.177	23	121.2660	4.591	101	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6,6a]O[6])(C[6,6a]C[6a]O[6])(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(O[6]C[6])	C[6,6a](C[6,6a]C[6,6a]O[6])(C[6,6a]C[6a]O[6])(C[6]C[6]HH){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|O<2>}	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(O[6]C[6]){1|C<3>,1|O<1>,1|O<2>,2|C<4>,5|H<1>}	121.5260	0.000	1	123.0260	4.500	2	121.2525	4.536	15	121.2450	3.177	23	121.2660	4.591	101	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6,6a]O[6])(C[6,6a]C[6a]O[6])(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(O[6]C[6])	C[6,6a](C[6,6a]C[6,6a]O[6])(C[6,6a]C[6a]O[6])(C[6]C[6]HH){2|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(H)2{1|O<1>,2|C<3>,2|O<2>}	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(O[6]C[6]){1|C<3>,1|O<1>,2|C<4>,2|O<2>,4|H<1>}	124.5260	0.000	1	123.0260	4.500	2	121.2525	4.536	15	121.2450	3.177	23	121.2660	4.591	101	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6,6a]O[6])2(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6])2(O[6]C[6])	C[6,6a](C[6,6a]C[6,6a]O[6])2(C[6]C[6]HH){2|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(H)2{1|O<1>,2|C<3>,2|O<2>}	C[6,6a](C[6,6a]C[6,6a]C[6])2(O[6]C[6]){1|C<3>,1|O<1>,2|C<4>,2|O<2>,4|H<1>}	124.2460	0.567	3	124.2460	0.322	3	121.2525	4.536	15	121.2450	3.177	23	121.2660	4.591	101	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6,6a]C[6,6a]O[6])(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]BrH)(H)2	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6,6a]C[6,6a]C[6])(O[6]C[6])	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6,6a]C[6,6a]O[6])(C[6]C[6]HH){1|Br<1>,1|H<1>,2|C<4>,3|C<3>}	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]BrH)(H)2{2|C<3>,2|C<4>,2|O<2>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6,6a]C[6,6a]C[6])(O[6]C[6]){1|O<2>,3|C<3>,3|C<4>,3|H<1>}	120.3870	0.000	1	120.3870	0.000	1	121.2525	4.536	15	121.2450	3.177	23	121.2660	4.591	101	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6,6a]C[6,6a]O[6])(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6,6a]C[6,6a]C[6])(O[6]C[6,6])	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6,6a]C[6,6a]O[6])(C[6]C[6]HH){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|O<2>}	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6,6a]C[6,6a]C[6])(O[6]C[6,6]){2|C<4>,2|H<1>,2|O<2>,3|C<3>}	120.6440	0.000	1	120.6440	0.000	1	121.2525	4.536	15	121.2450	3.177	23	121.2660	4.591	101	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6,6a]C[6,6a]2)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]2)(C[6]C[6,6]HH)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]C[6])(C[6,6a]N[6a]C[6])	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6,6a]C[6,6a]2)(C[6]C[6]HH){1|C<4>,1|N<2>,2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]2)(C[6]C[6,6]HH)(H)2{5|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]C[6])(C[6,6a]N[6a]C[6]){2|C<4>,4|C<3>,5|H<1>}	123.1450	0.000	1	123.1450	0.000	1	123.4187	0.695	7	122.7374	1.960	14	121.2660	4.591	101	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]2)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]2)(C[6]C[6,6a]HH)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]C[6])(C[6,6a]N[6a]C[6])	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]2)(C[6]C[6]HH){1|C<4>,1|N<2>,2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]2)(C[6]C[6,6a]HH)(H)2{5|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]C[6])(C[6,6a]N[6a]C[6]){2|C<4>,4|C<3>,5|H<1>}	123.1238	0.389	5	123.1238	0.151	5	123.4187	0.695	7	122.7374	1.960	14	121.2660	4.591	101	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]2)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]2)(C[6]C[6,6a]HH)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]2)(C[6]C[6]HH){1|C<4>,2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]2)(C[6]C[6,6a]HH)(H)2{1|N<2>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6]){1|N<2>,2|C<4>,4|C<3>,5|H<1>}	125.1670	0.000	1	125.1670	0.000	1	123.4187	0.695	7	122.7374	1.960	14	121.2660	4.591	101	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6,6a]C[6,6a]C[6])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(C[6]C[6]HH){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(H)2{1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6,6a]C[6,6a]C[6])(C[6]C[6]O){1|C<4>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	123.3130	0.000	1	121.4062	1.867	4	122.0561	2.469	7	122.7374	1.960	14	121.2660	4.591	101	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6,6a]C[6,6a]C[6])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(C[6]C[6]HH){1|O<1>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6,6a]C[6,6a]C[6])(C[6]C[6]O){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	120.3440	0.000	1	121.4062	1.867	4	122.0561	2.469	7	122.7374	1.960	14	121.2660	4.591	101	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6,6a]C[6,6a]C[6])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(C[6]C[6]HH){1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6,6a]C[6,6a]C[6])(C[6]C[6]O){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	120.9840	0.693	2	121.4062	1.867	4	122.0561	2.469	7	122.7374	1.960	14	121.2660	4.591	101	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(C[6]C[6]HH){1|O<1>,2|C<3>,3|H<1>,4|C<4>}	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(C[6]C[6]O){1|C<3>,1|O<1>,2|O<2>,3|C<4>,3|H<1>}	121.0480	0.000	1	121.0480	0.000	1	122.0561	2.469	7	122.7374	1.960	14	121.2660	4.591	101	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]2)(C[6]O[6]CH)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]O[6])(C[6]O[6]O)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(C[6]C[6]HH){1|C<3>,1|C<4>,1|H<1>,2|O<1>,4|O<2>}	C[6](C[6,6a]C[6,6a]2)(C[6]O[6]CH)(H)2{4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]O[6])(C[6]O[6]O){2|C<3>,2|C<4>,3|H<1>}	123.8600	0.033	2	123.8600	0.001	2	122.0561	2.469	7	122.7374	1.960	14	121.2660	4.591	101	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]O[6])(C[6]C[6,6]HH)	C[6](C[6,6a]C[6,6a]2)(C[6,6]C[6,6]2H)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]O[6])(C[6]C[6,6]HH){1|Cl<1>,2|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]2)(C[6,6]C[6,6]2H)(H)2{1|O<2>,2|C<3>,6|C<4>}	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(C[6]C[6]HH){1|C<3>,1|O<1>,2|C<4>,3|H<1>,3|O<2>}	122.6110	0.000	1	122.2696	0.301	5	122.4200	0.377	6	120.7086	2.699	18	121.2660	4.591	101	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]O[6])(C[6]C[6,6]HH)	C[6](C[6,6a]C[6,6a]2)(C[6,6]C[6,6]2H)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]O[6])(C[6]C[6,6]HH){2|C<3>,3|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]2)(C[6,6]C[6,6]2H)(H)2{1|O<2>,2|C<3>,6|C<4>}	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(C[6]C[6]HH){1|C<3>,1|O<1>,2|C<4>,3|H<1>,3|O<2>}	122.5460	0.263	2	122.2696	0.301	5	122.4200	0.377	6	120.7086	2.699	18	121.2660	4.591	101	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]O[6])(C[6]C[6,6]HH)	C[6](C[6,6a]C[6,6a]2)(C[6,6]C[6,6]2H)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]O[6])(C[6]C[6,6]HH){2|C<3>,3|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]2)(C[6,6]C[6,6]2H)(H)2{1|O<2>,3|C<3>,5|C<4>}	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(C[6]C[6]HH){1|C<3>,1|O<1>,2|C<4>,3|H<1>,3|O<2>}	121.8225	0.684	2	122.2696	0.301	5	122.4200	0.377	6	120.7086	2.699	18	121.2660	4.591	101	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]O[6])(C[6]C[6,6]HH)	C[6](C[6,6a]C[6,6a]2)(C[6,6]C[6,6]2H)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(C[6]C[6]HO)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]O[6])(C[6]C[6,6]HH){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]2)(C[6,6]C[6,6]2H)(H)2{1|O<2>,3|C<3>,5|C<4>}	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(C[6]C[6]HO){1|C<3>,1|O<1>,2|C<4>,3|H<1>,3|O<2>}	123.1720	0.000	1	123.1720	0.000	1	122.4200	0.377	6	120.7086	2.699	18	121.2660	4.591	101	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:Br-1:H-1:	C[6,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6,6a]C[6])2(C[6]C[6]BrH)	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(Br)(H)	C[6,6a](C[6,6a]C[6,6a]C[6])2(C[6]C[6]BrH)	C[6,6a](C[6,6a]C[6,6a]C[6])2(C[6]C[6]BrH){2|Br<1>,1|C<3>,4|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(Br)(H){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]C[6])2(C[6]C[6]BrH){2|Br<1>,1|C<3>,4|C<4>,4|H<1>}	118.9310	0.964	2	118.9310	0.930	2	118.9310	0.930	2	120.7086	2.699	18	121.2660	4.591	101	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6,6a]C[6,6a]C[6])(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]2)(C[6]C[5,6]HH)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(C[6]C[6]HH)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6,6a]C[6,6a]C[6])(C[6]C[6]HH){1|C<3>,2|O<2>,3|C<4>,5|H<1>}	C[6](C[6,6a]C[6,6a]2)(C[6]C[5,6]HH)(H)2{2|C<3>,4|C<4>}	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(C[6]C[6]HH){1|C<3>,5|C<4>,5|H<1>}	120.5680	0.615	2	120.5680	0.378	2	120.0373	1.629	10	120.7086	2.699	18	121.2660	4.591	101	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6,6a]C[6,6a]C[6])(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(C[6]C[6]HH){1|C<3>,5|C<4>,5|H<1>}	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6,6a]C[6,6a]C[6])(C[6]C[6]HH){1|C<3>,2|O<2>,3|C<4>,5|H<1>}	118.7730	0.000	1	118.5685	0.084	2	120.0373	1.629	10	120.7086	2.699	18	121.2660	4.591	101	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6,6a]C[6,6a]C[6])(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(C[6]C[6]HH){1|C<3>,5|C<4>,5|H<1>}	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6,6a]C[6,6a]C[6])(C[6]C[6]HH){1|C<3>,2|O<2>,3|C<4>,5|H<1>}	118.3640	0.000	1	118.5685	0.084	2	120.0373	1.629	10	120.7086	2.699	18	121.2660	4.591	101	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6,6a]C[6,6a]C[6])(C[6]C[6]FF)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(C[6]C[6]HH){2|F<1>,3|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6,6a]C[6,6a]C[6])(C[6]C[6]FF){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	121.0740	0.000	1	121.0740	0.000	1	120.0373	1.629	10	120.7086	2.699	18	121.2660	4.591	101	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HO)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]O[6])(C[6]C[6,6]HH)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(C[6]C[6]HH){1|C<3>,1|O<1>,2|C<4>,3|H<1>,3|O<2>}	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HO)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]O[6])(C[6]C[6,6]HH){2|C<3>,3|C<4>,4|H<1>}	119.5773	0.271	4	119.5773	0.073	4	120.0373	1.629	10	120.7086	2.699	18	121.2660	4.591	101	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]2)(C[6]O[6]CH)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]O[6])(C[6]C[6,6]HH)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(C[6]C[6]HH){1|C<3>,1|O<1>,2|C<4>,3|H<1>,3|O<2>}	C[6](C[6,6a]C[6,6a]2)(C[6]O[6]CH)(H)2{1|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]O[6])(C[6]C[6,6]HH){1|Cl<1>,2|C<3>,3|C<4>,3|H<1>}	122.7170	0.000	1	122.7170	0.000	1	120.0373	1.629	10	120.7086	2.699	18	121.2660	4.591	101	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:2:1:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:N-2:H-1:	C[6,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(C[6]C[6]HN)	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(NC)(H)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(C[6]C[6]HN){1|C<4>,1|O<1>,3|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(NC)(H){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(C[6]C[6]O){1|N<2>,1|O<1>,2|C<3>,2|C<4>,3|H<1>}	121.3940	0.000	1	121.3940	0.000	1	121.3940	0.000	1	122.1697	0.508	3	121.2660	4.591	101	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:2:1:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(OH)(H)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(C[6]C[6]HO){1|C<4>,1|O<1>,3|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(OH)(H){1|H<1>,2|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]O){1|O<1>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	122.5575	0.336	2	122.5575	0.113	2	122.5575	0.113	2	122.1697	0.508	3	121.2660	4.591	101	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:2:1:	3:3:4:	C[6,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:N-2:H-1:	C[6,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6,6a]C[6])2(C[6]C[6]HN)	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(NN)(H)	C[6,6a](C[6,6a]C[6,6a]C[6])2(C[6]C[6]HN)	C[6,6a](C[6,6a]C[6,6a]C[6])2(C[6]C[6]HN){1|C<3>,2|N<2>,4|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(NN)(H){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]C[6])2(C[6]C[6]HN){1|C<3>,2|N<2>,4|C<4>,4|H<1>}	119.1122	0.499	6	119.1122	0.249	6	119.1122	0.249	6	119.3847	0.664	13	121.2660	4.591	101	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:2:1:	3:3:4:	C[6,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]2)(C[6]O[6]CH)(OH)(H)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]O[6])(C[6]C[6,6]HH)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(C[6]C[6]HO){1|C<3>,1|O<1>,2|C<4>,3|H<1>,3|O<2>}	C[6](C[6,6a]C[6,6a]2)(C[6]O[6]CH)(OH)(H){1|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]O[6])(C[6]C[6,6]HH){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	121.7530	0.000	1	121.7530	0.000	1	121.7530	0.000	1	119.3847	0.664	13	121.2660	4.591	101	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:2:1:	3:3:4:	C[6,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:S-2:H-1:	C[6,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6,6a]C[6])2(C[6]C[6]HS)	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(SC[6a])(H)	C[6,6a](C[6,6a]C[6,6a]C[6])2(C[6]C[6]HS)	C[6,6a](C[6,6a]C[6,6a]C[6])2(C[6]C[6]HS){1|C<3>,2|S<2>,4|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(SC[6a])(H){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]C[6])2(C[6]C[6]HS){1|C<3>,2|S<2>,4|C<4>,4|H<1>}	119.2625	0.339	6	119.2625	0.115	6	119.2625	0.115	6	119.3847	0.664	13	121.2660	4.591	101	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:3:1:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(C[6]C[6]HN)	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(NCH)(H)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(C[6]C[6]HN){1|C<4>,1|O<1>,3|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(NCH)(H){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(C[6]C[6]O){1|N<3>,1|O<1>,2|C<3>,2|C<4>,3|H<1>}	121.0310	0.000	1	121.0310	0.000	1	121.0310	0.000	1	121.0310	0.000	1	121.2660	4.591	101	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:4:1:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(CClHH)(H)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(C[6]C[6]CH){1|O<1>,1|O<2>,2|C<3>,2|H<1>,4|C<4>}	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(CClHH)(H){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(C[6]C[6]O){1|C<3>,4|C<4>,6|H<1>}	121.1653	0.323	3	121.1653	0.104	3	121.1653	0.104	3	121.1653	0.104	3	121.2660	4.591	101	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	4:3:1:1:	3:3:2:	C[6,6a]-3:C[6,6a]-3:C[6]-4:	C[3,6]-4:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6,6a]O[6])(C[6,6a]C[6a]C[6])(C[6]C[3,6]HH)	C[6](C[3,6]C[3,6]O[3]H)(C[6,6a]C[6,6a]2)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(O[6]C[6])	C[6,6a](C[6,6a]C[6,6a]O[6])(C[6,6a]C[6a]C[6])(C[6]C[3,6]HH){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[3,6]C[3,6]O[3]H)(C[6,6a]C[6,6a]2)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(O[6]C[6]){3|C<4>,3|H<1>,4|C<3>}	119.3695	0.054	2	119.3695	0.003	2	119.3695	0.003	2	121.0544	1.116	8	121.2660	4.591	101	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	4:3:1:1:	3:3:2:	C[6,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6]-4:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6,6a]O[6])(C[6,6a]C[6a]O[6])(C[6]C[6,6]HH)	C[6](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6,6a]2)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(O[6]C[6])	C[6,6a](C[6,6a]C[6,6a]O[6])(C[6,6a]C[6a]O[6])(C[6]C[6,6]HH){2|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6,6a]2)(H)2{2|C<3>,2|O<2>,5|C<4>}	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(O[6]C[6]){1|C<3>,1|O<1>,2|H<1>,2|O<2>,4|C<4>}	121.6160	0.218	6	121.6160	0.047	6	121.6160	0.047	6	121.0544	1.116	8	121.2660	4.591	101	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a,6a]	3:3:4:	3:2:1:1:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6]O[6]HH)	C[6](C[6,6a]C[6a,6a]C[6,6a])(O[6]C[6,6a])(H)2	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6]O[6]HH){2|H<1>,5|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(O[6]C[6,6a])(H)2{5|C<3>}	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	121.6830	0.000	1	121.6830	0.000	1	121.6830	0.000	1	121.6830	0.000	1	121.2361	2.620	226	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a,6a]	3:3:4:	3:3:1:1:	3:3:2:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6a,6a]-3:O[6a]-2:	C[6,6a](C[6a,6a]C[6a,6a]O[6a])(C[6,6a]C[6a]C[6])(C[6]C[6]HH)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)2	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(O[6a]C[6a])	C[6,6a](C[6a,6a]C[6a,6a]O[6a])(C[6,6a]C[6a]C[6])(C[6]C[6]HH){4|C<3>,4|H<1>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(O[6a]C[6a]){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	120.1640	0.000	1	120.1640	0.000	1	120.1640	0.000	1	120.1640	0.000	1	121.2361	2.620	226	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5,6,6a]-3:C[6a,6a]-3:C[6]-4:	C[6,6a]-3:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]HH)	C[6](C[6,6a]C[5,6,6a]C[6a,6a])(C[6,6a]C[6,6a]C[6a])(H)2	C[6a,6a](C[6,6a]C[5,6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]HH){1|H<1>,8|C<3>}	C[6](C[6,6a]C[5,6,6a]C[6a,6a])(C[6,6a]C[6,6a]C[6a])(H)2{1|C<4>,1|H<1>,5|C<3>}	C[6a,6a](C[6,6a]C[5,6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<2>,1|C<4>,3|C<3>,4|H<1>}	125.4810	0.000	1	125.4810	0.000	1	125.4810	0.000	1	121.1910	3.377	23	121.2361	2.620	226	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6,6]-3:H-1:H-1:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6,6]HH)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6])(H)2	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6,6]HH){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6])(H)2{1|C<4>,2|H<1>,2|O<2>,3|C<3>}	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|O<2>,3|C<3>,5|H<1>}	120.7940	0.000	1	120.7940	0.000	1	120.7940	0.000	1	121.1910	3.377	23	121.2361	2.620	226	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6,6a]HH)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(H)2	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6,6a]HH){2|H<1>,5|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(H)2{1|C<4>,1|N<2>,1|O<2>,4|C<3>}	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|O<2>,3|C<3>,5|H<1>}	120.7275	0.097	2	120.7275	0.009	2	120.7275	0.009	2	121.1910	3.377	23	121.2361	2.620	226	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]HH)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)2	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]HH){3|H<1>,4|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)2{1|O<2>,4|C<3>}	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|O<2>,3|C<3>,5|H<1>}	120.9350	0.000	1	120.9350	0.000	1	120.9350	0.000	1	121.1910	3.377	23	121.2361	2.620	226	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[6a,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]C[6])(C[6]N[5,6]HH)	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[5,6]C[5,6]C[5])(H)2	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]C[6])(C[6]N[5,6]HH){2|C<4>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[5,6]C[5,6]C[5])(H)2{3|C<3>,3|C<4>,3|H<1>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	117.8970	0.000	1	117.8970	0.000	1	117.8970	0.000	1	121.1910	3.377	23	121.2361	2.620	226	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]N[6,6]HH)	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[6,6]C[6,6]P[6,6])(H)2	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]N[6,6]HH){1|C<4>,1|P<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[6,6]C[6,6]P[6,6])(H)2{1|H<1>,2|N<2>,2|O<2>,4|C<3>}	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,5|H<1>}	121.6500	0.000	1	121.6500	0.000	1	121.2728	0.085	4	121.1910	3.377	23	121.2361	2.620	226	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]N[6,6]C[6a])(C[6]N[6,6]HH)	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[6,6]C[6,6a]C[6,6])(H)2	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]N[6,6]C[6a])(C[6]N[6,6]HH){2|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[6,6]C[6,6a]C[6,6])(H)2{1|N<3>,2|H<1>,5|C<3>}	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){2|C<3>,2|N<3>,5|H<1>}	121.1470	0.181	3	121.1470	0.033	3	121.2728	0.085	4	121.1910	3.377	23	121.2361	2.620	226	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6a,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]C[6])(C[6]N[6,6]HH)	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[6,6]C[6,6]C[6])(H)2	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]C[6])(C[6]N[6,6]HH){2|C<4>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[6,6]C[6,6]C[6])(H)2{3|C<3>,3|C<4>,3|H<1>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<2>,3|C<3>,3|H<1>}	118.6480	0.040	2	118.6480	0.002	2	118.6480	0.002	2	121.1910	3.377	23	121.2361	2.620	226	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6a]O[6])(C[6]N[6]HH)	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[6]C[6]C)(H)2	C[6a,6a](C[6,6a]C[6,6a]C[6])2(C[6a,6a]C[6a]2)	C[6,6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6a]O[6])(C[6]N[6]HH){1|H<1>,3|C<3>,3|C<4>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[6]C[6]C)(H)2{1|O<2>,2|H<1>,3|C<3>}	C[6a,6a](C[6,6a]C[6,6a]C[6])2(C[6a,6a]C[6a]2){2|C<3>,2|N<3>,2|O<2>,6|H<1>}	123.4080	0.549	2	123.4080	0.301	2	123.4080	0.301	2	121.1910	3.377	23	121.2361	2.620	226	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]N[6]HH)	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[6]C[6]C)(H)2	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]2)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]N[6]HH){1|H<1>,2|C<4>,4|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[6]C[6]C)(H)2{1|O<2>,2|H<1>,3|C<3>}	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]2){1|N<3>,2|O<2>,4|C<3>,4|H<1>}	124.4890	0.000	1	124.4890	0.000	1	121.2920	2.617	9	121.1910	3.377	23	121.2361	2.620	226	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]N[6]HH)	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[6]C[6]C)(H)2	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]N[6]HH){2|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[6]C[6]C)(H)2{1|O<2>,2|H<1>,3|C<3>}	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,5|H<1>}	121.4907	0.660	4	121.4907	0.435	4	121.2920	2.617	9	121.1910	3.377	23	121.2361	2.620	226	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]N[6]HH)	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[6]P[6,6]C[6a])(H)2	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]N[6]HH){1|P<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[6]P[6,6]C[6a])(H)2{1|O<2>,3|N<2>,4|C<3>}	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,5|H<1>}	120.7875	1.841	2	120.7875	3.388	2	121.2920	2.617	9	121.1910	3.377	23	121.2361	2.620	226	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]N[6]HH)	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[6]P[6,6]H)(H)2	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]N[6]HH){1|P<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[6]P[6,6]H)(H)2{1|O<2>,2|N<2>,3|C<3>}	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,5|H<1>}	119.8005	0.950	2	119.8005	0.902	2	121.2920	2.617	9	121.1910	3.377	23	121.2361	2.620	226	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a,6a]	3:3:4:	3:3:3:1:	3:3:2:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6,6]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6,6a]-3:N[6a]-2:	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a,6a]O[6])(C[6]C[6,6]C[6a]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a,6a])	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a,6a]O[6])(C[6]C[6,6]C[6a]H){1|N<2>,7|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|N<2>,1|O<1>,1|O<2>,2|C<4>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a,6a]){1|H<1>,1|O<2>,6|C<3>}	119.8380	0.000	1	119.2915	0.597	2	119.2915	0.597	2	119.2915	0.597	2	121.2361	2.620	226	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a,6a]	3:3:4:	3:3:3:1:	3:3:2:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6,6]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6,6a]-3:N[6a]-2:	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a,6a]O[6])(C[6]C[6,6]C[6a]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a,6a])	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a,6a]O[6])(C[6]C[6,6]C[6a]H){1|N<2>,7|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|N<2>,1|O<1>,1|O<2>,2|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a,6a]){1|H<1>,1|O<2>,6|C<3>}	118.7450	0.000	1	119.2915	0.597	2	119.2915	0.597	2	119.2915	0.597	2	121.2361	2.620	226	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a,6a]	3:3:4:	3:3:3:1:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C-3:H-1:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]CH)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(CCH)(H)	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]CH){3|H<1>,4|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(CCH)(H){1|O<2>,4|C<3>}	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|O<2>,4|C<3>,4|H<1>}	121.3460	0.000	1	121.3460	0.000	1	121.3460	0.000	1	122.2929	1.351	42	121.2361	2.620	226	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a,6a]	3:3:4:	3:3:3:1:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H){1|C<2>,2|H<1>,6|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<2>,2|H<1>,5|C<3>}	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|O<2>,4|C<3>,4|H<1>}	121.1148	0.268	6	121.7450	0.622	14	121.7428	0.564	18	122.2929	1.351	42	121.2361	2.620	226	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a,6a]	3:3:4:	3:3:3:1:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H){1|C<2>,2|H<1>,6|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<2>,2|H<1>,5|C<3>}	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){2|O<2>,3|H<1>,4|C<3>}	120.5890	0.000	1	121.7450	0.622	14	121.7428	0.564	18	122.2929	1.351	42	121.2361	2.620	226	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a,6a]	3:3:4:	3:3:3:1:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H){2|H<1>,7|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|Cl<1>,1|H<1>,1|N<3>,1|O<2>,5|C<3>}	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|O<2>,4|C<3>,4|H<1>}	122.8050	0.134	2	121.7450	0.622	14	121.7428	0.564	18	122.2929	1.351	42	121.2361	2.620	226	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a,6a]	3:3:4:	3:3:3:1:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H){2|H<1>,7|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<2>,2|F<1>,5|C<3>}	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|O<2>,4|C<3>,4|H<1>}	122.6280	0.000	1	121.7450	0.622	14	121.7428	0.564	18	122.2929	1.351	42	121.2361	2.620	226	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a,6a]	3:3:4:	3:3:3:1:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H){2|H<1>,7|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<2>,2|H<1>,5|C<3>}	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|O<2>,4|C<3>,4|H<1>}	122.2285	0.087	4	121.7450	0.622	14	121.7428	0.564	18	122.2929	1.351	42	121.2361	2.620	226	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a,6a]	3:3:4:	3:3:3:1:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H){3|H<1>,6|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]H)(H){1|O<2>,3|H<1>,5|C<3>}	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|O<2>,4|C<3>,4|H<1>}	121.7353	0.707	4	121.7353	0.500	4	121.7428	0.564	18	122.2929	1.351	42	121.2361	2.620	226	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a,6a]	3:3:4:	3:3:3:1:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6a]N[6]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(N[6]C[6]C)(H)	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6a]N[6]H){2|C<4>,2|H<1>,5|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(N[6]C[6]C)(H){1|C<4>,1|O<2>,3|H<1>,5|C<3>}	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,1|O<2>,3|C<3>,4|H<1>}	122.9070	0.000	1	122.3600	0.230	3	122.8472	1.471	22	122.2929	1.351	42	121.2361	2.620	226	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a,6a]	3:3:4:	3:3:3:1:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6a]N[6]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(N[6]C[6]C)(H)	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6a]N[6]H){2|C<4>,2|H<1>,5|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(N[6]C[6]C)(H){1|O<2>,3|H<1>,6|C<3>}	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,1|O<2>,3|C<3>,4|H<1>}	122.0865	0.107	2	122.3600	0.230	3	122.8472	1.471	22	122.2929	1.351	42	121.2361	2.620	226	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a,6a]	3:3:4:	3:3:3:1:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6a]N[6]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6a]N[6]H){1|C<4>,3|H<1>,5|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(N[6]C[6]H)(H){1|C<4>,1|O<2>,3|H<1>,5|C<3>}	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,1|O<2>,3|C<3>,4|H<1>}	121.6510	0.000	1	122.1310	0.896	10	122.8472	1.471	22	122.2929	1.351	42	121.2361	2.620	226	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a,6a]	3:3:4:	3:3:3:1:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6a]N[6]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6a]N[6]H){1|C<4>,3|H<1>,5|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(N[6]C[6]H)(H){1|N<2>,1|O<2>,3|H<1>,5|C<3>}	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,1|O<2>,3|C<3>,4|H<1>}	122.2290	0.000	1	122.1310	0.896	10	122.8472	1.471	22	122.2929	1.351	42	121.2361	2.620	226	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a,6a]	3:3:4:	3:3:3:1:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6a]N[6]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6a]N[6]H){1|C<4>,3|H<1>,5|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(N[6]C[6]H)(H){1|O<2>,3|H<1>,6|C<3>}	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,1|O<2>,3|C<3>,4|H<1>}	122.0788	1.335	5	122.1310	0.896	10	122.8472	1.471	22	122.2929	1.351	42	121.2361	2.620	226	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a,6a]	3:3:4:	3:3:3:1:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6a]N[6]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6a]N[6]H){3|H<1>,6|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(N[6]C[6]H)(H){1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,1|O<2>,3|C<3>,4|H<1>}	122.0850	0.373	2	122.1310	0.896	10	122.8472	1.471	22	122.2929	1.351	42	121.2361	2.620	226	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a,6a]	3:3:4:	3:3:3:1:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6a]N[6]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6a]N[6]H){3|H<1>,6|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(N[6]C[6]H)(H){1|O<2>,2|H<1>,6|C<3>}	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,1|O<2>,3|C<3>,4|H<1>}	122.8660	0.000	1	122.1310	0.896	10	122.8472	1.471	22	122.2929	1.351	42	121.2361	2.620	226	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a,6a]	3:3:4:	3:3:3:1:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6a]N[6]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(N[6]P[6,6]H)(H)	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6a]N[6]H){1|P<5>,3|H<1>,5|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(N[6]P[6,6]H)(H){1|N<3>,2|O<2>,3|H<1>,5|C<3>}	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,1|O<2>,3|C<3>,4|H<1>}	123.3915	1.928	2	123.3915	3.718	2	122.8472	1.471	22	122.2929	1.351	42	121.2361	2.620	226	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a,6a]	3:3:4:	3:3:3:1:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6a]N[6]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(N[6]P[6]C)(H)	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6a]N[6]H){1|C<4>,1|P<4>,2|H<1>,5|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(N[6]P[6]C)(H){1|C<4>,1|H<1>,1|O<1>,2|O<2>,5|C<3>}	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,1|O<2>,3|C<3>,4|H<1>}	123.8400	0.000	1	123.9237	0.683	7	122.8472	1.471	22	122.2929	1.351	42	121.2361	2.620	226	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a,6a]	3:3:4:	3:3:3:1:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6a]N[6]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(N[6]P[6]C)(H)	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6a]N[6]H){1|C<4>,1|P<4>,2|H<1>,5|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(N[6]P[6]C)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,1|O<2>,3|C<3>,4|H<1>}	124.0952	0.914	5	123.9237	0.683	7	122.8472	1.471	22	122.2929	1.351	42	121.2361	2.620	226	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a,6a]	3:3:4:	3:3:3:1:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6a]N[6]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(N[6]P[6]C)(H)	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6a]N[6]H){1|C<4>,1|P<4>,2|H<1>,5|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(N[6]P[6]C)(H){1|O<1>,2|H<1>,2|O<2>,5|C<3>}	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,1|O<2>,3|C<3>,4|H<1>}	123.1500	0.000	1	123.9237	0.683	7	122.8472	1.471	22	122.2929	1.351	42	121.2361	2.620	226	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a,6a]	3:3:4:	3:3:3:1:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:C-3:H-1:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]N[6]CH)	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[6]C[6a]C[6])(COO)(H)	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]N[6]CH){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[6]C[6a]C[6])(COO)(H){1|H<1>,1|O<2>,6|C<3>}	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,1|O<2>,3|C<3>,4|H<1>}	120.9440	0.000	1	120.9440	0.000	1	120.9440	0.000	1	122.2929	1.351	42	121.2361	2.620	226	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a,6a]	3:3:4:	3:3:3:4:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:C-4:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]C)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]H)(CH3)	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]C){3|H<1>,6|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]H)(CH3){1|H<1>,2|O<2>,6|C<3>}	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	122.9000	0.000	1	122.6175	0.160	2	122.6175	0.160	2	122.6175	0.160	2	121.2361	2.620	226	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a,6a]	3:3:4:	3:3:3:4:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:C-4:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]C)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]H)(CH3)	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]C){3|H<1>,6|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]H)(CH3){1|O<2>,2|H<1>,6|C<3>}	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	122.3350	0.000	1	122.6175	0.160	2	122.6175	0.160	2	122.6175	0.160	2	121.2361	2.620	226	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a,6a]	3:3:4:	3:3:4:1:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6,6a]-3:C-4:H-1:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]N[6])(C[6]C[6,6a]CH)	C[6](C[6,6a]C[6a,6a]C[6,6a])2(CH3)(H)	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]N[6])(C[6]C[6,6a]CH){3|H<1>,5|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])2(CH3)(H){1|N<3>,6|C<3>}	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	121.3375	0.192	2	121.3375	0.037	2	121.3375	0.037	2	121.0588	4.379	18	121.2361	2.620	226	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a,6a]	3:3:4:	3:3:4:1:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C-4:H-1:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]N[6])(C[6]C[6]CH)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]N[6]O)(CCHH)(H)	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]N[6])(C[6]C[6]CH){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]N[6]O)(CCHH)(H){1|N<3>,4|C<3>}	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	123.6120	0.000	1	123.6120	0.000	1	123.6120	0.000	1	121.0588	4.379	18	121.2361	2.620	226	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a,6a]	3:3:4:	3:3:4:1:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H){1|N<3>,1|O<1>,3|H<1>,6|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|H<1>,1|N<3>,1|O<1>,6|C<3>}	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	119.9760	0.000	1	119.9760	0.000	1	120.8515	4.792	15	121.0588	4.379	18	121.2361	2.620	226	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a,6a]	3:3:4:	3:3:4:1:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]HS)(H)	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H){1|C<4>,1|S<4>,3|H<1>,6|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]HS)(H){4|H<1>,6|C<3>}	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	117.6350	0.185	2	119.0137	1.715	7	120.8515	4.792	15	121.0588	4.379	18	121.2361	2.620	226	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a,6a]	3:3:4:	3:3:4:1:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]HS)(H)	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H){1|S<4>,2|C<4>,4|H<1>,5|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]HS)(H){1|C<4>,4|H<1>,5|C<3>}	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	119.8402	1.067	4	119.0137	1.715	7	120.8515	4.792	15	121.0588	4.379	18	121.2361	2.620	226	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a,6a]	3:3:4:	3:3:4:1:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]HS)(H)	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H){1|S<4>,2|C<4>,4|H<1>,5|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]HS)(H){1|C<4>,4|H<1>,5|C<3>}	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){2|C<4>,2|H<1>,2|O<2>,3|C<3>}	118.4650	0.000	1	119.0137	1.715	7	120.8515	4.792	15	121.0588	4.379	18	121.2361	2.620	226	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a,6a]	3:3:4:	3:3:4:1:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]HS)(H)	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]O)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H){1|O<2>,1|S<4>,2|C<4>,3|H<1>,5|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]HS)(H){1|C<4>,4|H<1>,5|C<3>}	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]O){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	123.0705	0.771	2	123.0705	0.595	2	120.8515	4.792	15	121.0588	4.379	18	121.2361	2.620	226	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a,6a]	3:3:4:	3:3:4:1:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]N[6]HH)(H)	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H){1|N<3>,5|C<3>,5|H<1>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]N[6]HH)(H){2|H<1>,7|C<3>}	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	122.3440	0.000	1	122.3440	0.000	1	120.8515	4.792	15	121.0588	4.379	18	121.2361	2.620	226	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a,6a]	3:3:4:	3:3:4:1:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H){3|H<1>,7|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	122.2240	0.000	1	122.6735	0.404	2	120.8515	4.792	15	121.0588	4.379	18	121.2361	2.620	226	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a,6a]	3:3:4:	3:3:4:1:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H){4|H<1>,6|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	123.1230	0.000	1	122.6735	0.404	2	120.8515	4.792	15	121.0588	4.379	18	121.2361	2.620	226	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a,6a]	3:3:4:	3:3:4:1:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]HO)(H)	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H){1|C<4>,1|O<2>,3|H<1>,5|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]HO)(H){1|O<2>,4|H<1>,5|C<3>}	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	121.5180	0.000	1	121.5180	0.000	1	120.8515	4.792	15	121.0588	4.379	18	121.2361	2.620	226	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a,6a]	3:3:4:	3:3:4:1:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]HP)(H)	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H){1|P<4>,3|H<1>,6|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]HP)(H){1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,2|O<2>,3|C<3>,3|H<1>}	124.3500	0.000	1	124.3500	0.000	1	120.8515	4.792	15	121.0588	4.379	18	121.2361	2.620	226	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a,6a]	3:3:4:	3:3:4:2:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C-4:O-2:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[5,6]C[6a])(C[6]C[6]CO)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[5,6]O)(CCHH)(OH)	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[5,6]C[6a])(C[6]C[6]CO){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[5,6]O)(CCHH)(OH){1|C<4>,4|C<3>}	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|O<2>,2|C<4>,2|H<1>,4|C<3>}	121.2050	0.000	1	121.2050	0.000	1	121.2050	0.000	1	121.2050	0.000	1	121.2361	2.620	226	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a,6a]	3:3:4:	3:3:4:4:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(CH3)2	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC){2|H<1>,5|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(CH3)2{1|H<1>,1|O<2>,5|C<3>}	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	122.5667	0.258	3	122.5667	0.067	3	122.5667	0.067	3	122.5667	0.067	3	121.2361	2.620	226	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a,6a]	3:3:4:	3:4:1:1:	3:3:2:	C[3x6,6a]-3:C[6a,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a,6a]-3:O[6a]-2:	C[6,6a](C[3x6,6a]C[6,6,6a]N[3x6])(C[6a,6a]C[6a,6a]O[6a])(C[6]C[6]HH)	C[6](C[6,6a]C[3x6,6a]C[6a,6a])(C[6]C[6]HH)(H)2	C[6a,6a](C[6,6a]C[3x6,6a]C[6])(C[6a,6a]C[5,6a]C[6a])(O[6a]C[6a])	C[6,6a](C[3x6,6a]C[6,6,6a]N[3x6])(C[6a,6a]C[6a,6a]O[6a])(C[6]C[6]HH){1|C<5>,2|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[3x6,6a]C[6a,6a])(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6a,6a](C[6,6a]C[3x6,6a]C[6])(C[6a,6a]C[5,6a]C[6a])(O[6a]C[6a]){1|N<3>,1|O<1>,2|C<3>,2|C<4>,3|H<1>}	121.0870	0.000	1	121.0870	0.000	1	121.0870	0.000	1	121.1994	0.840	34	121.2361	2.620	226	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a,6a]	3:3:4:	3:4:1:1:	3:3:2:	C[6,6,6a]-3:C[6a,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a,6a]-3:O[6a]-2:	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6a,6a]C[6a,6a]O[6a])(C[6]C[6]HH)	C[6](C[6,6a]C[6,6,6a]C[6a,6a])(C[6]C[6]HH)(H)2	C[6a,6a](C[6,6a]C[6,6,6a]C[6])(C[6a,6a]C[6,6a]C[6a])(O[6a]C[6a])	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6a,6a]C[6a,6a]O[6a])(C[6]C[6]HH){2|H<1>,3|C<3>,3|C<4>}	C[6](C[6,6a]C[6,6,6a]C[6a,6a])(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6a,6a](C[6,6a]C[6,6,6a]C[6])(C[6a,6a]C[6,6a]C[6a])(O[6a]C[6a]){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	121.0200	0.259	2	121.0200	0.067	2	121.6342	0.410	23	121.1994	0.840	34	121.2361	2.620	226	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a,6a]	3:3:4:	3:4:1:1:	3:3:2:	C[6,6,6a]-3:C[6a,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a,6a]-3:O[6a]-2:	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6a,6a]C[6a,6a]O[6a])(C[6]C[6]HH)	C[6](C[6,6a]C[6,6,6a]C[6a,6a])(C[6]C[6]HH)(H)2	C[6a,6a](C[6,6a]C[6,6,6a]C[6])(C[6a,6a]C[6a]2)(O[6a]C[6a,6a])	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6a,6a]C[6a,6a]O[6a])(C[6]C[6]HH){2|H<1>,3|C<3>,3|C<4>}	C[6](C[6,6a]C[6,6,6a]C[6a,6a])(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6a,6a](C[6,6a]C[6,6,6a]C[6])(C[6a,6a]C[6a]2)(O[6a]C[6a,6a]){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	119.8230	0.000	1	119.8230	0.000	1	121.6342	0.410	23	121.1994	0.840	34	121.2361	2.620	226	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a,6a]	3:3:4:	3:4:1:1:	3:3:2:	C[6,6,6a]-3:C[6a,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a,6a]-3:O[6a]-2:	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6a,6a]C[6a,6a]O[6a])(C[6]C[6]HH)	C[6](C[6,6a]C[6,6,6a]C[6a,6a])(C[6]C[6]HH)(H)2	C[6a,6a](C[6,6a]C[6,6,6a]C[6])(C[6a,6a]C[6a]2)(O[6a]C[6a])	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6a,6a]C[6a,6a]O[6a])(C[6]C[6]HH){2|H<1>,3|C<3>,3|C<4>}	C[6](C[6,6a]C[6,6,6a]C[6a,6a])(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6a,6a](C[6,6a]C[6,6,6a]C[6])(C[6a,6a]C[6a]2)(O[6a]C[6a]){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	121.8493	0.521	15	121.7862	0.234	20	121.6342	0.410	23	121.1994	0.840	34	121.2361	2.620	226	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a,6a]	3:3:4:	3:4:1:1:	3:3:2:	C[6,6,6a]-3:C[6a,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a,6a]-3:O[6a]-2:	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6a,6a]C[6a,6a]O[6a])(C[6]C[6]HH)	C[6](C[6,6a]C[6,6,6a]C[6a,6a])(C[6]C[6]HH)(H)2	C[6a,6a](C[6,6a]C[6,6,6a]C[6])(C[6a,6a]C[6a]2)(O[6a]C[6a])	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6a,6a]C[6a,6a]O[6a])(C[6]C[6]HH){2|H<1>,3|C<3>,3|C<4>}	C[6](C[6,6a]C[6,6,6a]C[6a,6a])(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6a,6a](C[6,6a]C[6,6,6a]C[6])(C[6a,6a]C[6a]2)(O[6a]C[6a]){1|C<4>,1|O<1>,2|C<3>,2|N<3>,3|H<1>}	121.0580	0.000	1	121.7862	0.234	20	121.6342	0.410	23	121.1994	0.840	34	121.2361	2.620	226	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a,6a]	3:3:4:	3:4:1:1:	3:3:2:	C[6,6,6a]-3:C[6a,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a,6a]-3:O[6a]-2:	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6a,6a]C[6a,6a]O[6a])(C[6]C[6]HH)	C[6](C[6,6a]C[6,6,6a]C[6a,6a])(C[6]C[6]HH)(H)2	C[6a,6a](C[6,6a]C[6,6,6a]C[6])(C[6a,6a]C[6a]2)(O[6a]C[6a])	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6a,6a]C[6a,6a]O[6a])(C[6]C[6]HH){2|H<1>,3|C<3>,3|C<4>}	C[6](C[6,6a]C[6,6,6a]C[6a,6a])(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6a,6a](C[6,6a]C[6,6,6a]C[6])(C[6a,6a]C[6a]2)(O[6a]C[6a]){1|N<3>,1|O<1>,2|C<3>,2|C<4>,3|H<1>}	121.7318	0.140	4	121.7862	0.234	20	121.6342	0.410	23	121.1994	0.840	34	121.2361	2.620	226	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a,6a]	3:3:4:	3:4:1:1:	3:3:2:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[3,6]-4:H-1:H-1:	C[6,6a]-3:C[6a,6a]-3:O[6a]-2:	C[6,6a](C[6a,6a]C[6a,6a]O[6a])(C[6,6a]C[6a]C[6])(C[6]C[3,6]HH)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[3,6]C[3,6]N[3]H)(H)2	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(O[6a]C[6a])	C[6,6a](C[6a,6a]C[6a,6a]O[6a])(C[6,6a]C[6a]C[6])(C[6]C[3,6]HH){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[3,6]C[3,6]N[3]H)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(O[6a]C[6a]){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	119.7500	0.000	1	119.7500	0.000	1	119.7265	0.001	2	121.1994	0.840	34	121.2361	2.620	226	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a,6a]	3:3:4:	3:4:1:1:	3:3:2:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[3,6]-4:H-1:H-1:	C[6,6a]-3:C[6a,6a]-3:O[6a]-2:	C[6,6a](C[6a,6a]C[6a,6a]O[6a])(C[6,6a]C[6a]C[6])(C[6]C[3,6]HH)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[3,6]C[3,6]O[3]H)(H)2	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(O[6a]C[6a])	C[6,6a](C[6a,6a]C[6a,6a]O[6a])(C[6,6a]C[6a]C[6])(C[6]C[3,6]HH){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[3,6]C[3,6]O[3]H)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(O[6a]C[6a]){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	119.7030	0.000	1	119.7030	0.000	1	119.7265	0.001	2	121.1994	0.840	34	121.2361	2.620	226	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a,6a]	3:3:4:	3:4:1:1:	3:3:2:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6a,6a]-3:O[6a]-2:	C[6,6a](C[6a,6a]C[6a,6a]O[6a])(C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]O[6]H)(H)2	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(O[6a]C[6a])	C[6,6a](C[6a,6a]C[6a,6a]O[6a])(C[6,6a]C[6a]C[6])(C[6]C[6,6]HH){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]O[6]H)(H)2{1|C<4>,1|H<1>,2|O<2>,3|C<3>}	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(O[6a]C[6a]){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	119.9790	0.000	1	119.9790	0.000	1	119.9790	0.000	1	121.1994	0.840	34	121.2361	2.620	226	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a,6a]	3:3:4:	3:4:1:1:	3:3:2:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a,6a]-3:O[6a]-2:	C[6,6a](C[6a,6a]C[6a,6a]O[6a])(C[6,6a]C[6a]C[6])(C[6]C[6]HH)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HO)(H)2	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(O[6a]C[6a])	C[6,6a](C[6a,6a]C[6a,6a]O[6a])(C[6,6a]C[6a]C[6])(C[6]C[6]HH){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HO)(H)2{1|C<4>,1|H<1>,1|I<1>,1|O<2>,2|C<3>}	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(O[6a]C[6a]){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	119.7610	0.000	1	120.6623	1.021	4	120.4235	0.752	6	121.1994	0.840	34	121.2361	2.620	226	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a,6a]	3:3:4:	3:4:1:1:	3:3:2:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a,6a]-3:O[6a]-2:	C[6,6a](C[6a,6a]C[6a,6a]O[6a])(C[6,6a]C[6a]C[6])(C[6]C[6]HH)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HO)(H)2	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(O[6a]C[6a])	C[6,6a](C[6a,6a]C[6a,6a]O[6a])(C[6,6a]C[6a]C[6])(C[6]C[6]HH){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HO)(H)2{1|C<4>,1|H<1>,1|O<2>,1|S<2>,2|C<3>}	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(O[6a]C[6a]){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	120.3915	0.146	2	120.6623	1.021	4	120.4235	0.752	6	121.1994	0.840	34	121.2361	2.620	226	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a,6a]	3:3:4:	3:4:1:1:	3:3:2:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a,6a]-3:O[6a]-2:	C[6,6a](C[6a,6a]C[6a,6a]O[6a])(C[6,6a]C[6a]C[6])(C[6]C[6]HH)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HO)(H)2	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(O[6a]C[6a])	C[6,6a](C[6a,6a]C[6a,6a]O[6a])(C[6,6a]C[6a]C[6])(C[6]C[6]HH){1|O<2>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HO)(H)2{1|H<1>,1|O<2>,3|C<3>}	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(O[6a]C[6a]){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	122.1050	0.000	1	120.6623	1.021	4	120.4235	0.752	6	121.1994	0.840	34	121.2361	2.620	226	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a,6a]	3:3:4:	3:4:1:1:	3:3:2:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a,6a]-3:O[6a]-2:	C[6,6a](C[6a,6a]C[6a,6a]O[6a])(C[6,6a]C[6a]C[6])(C[6]C[6]HH)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HS)(H)2	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(O[6a]C[6a])	C[6,6a](C[6a,6a]C[6a,6a]O[6a])(C[6,6a]C[6a]C[6])(C[6]C[6]HH){1|C<4>,1|S<2>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HS)(H)2{1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(O[6a]C[6a]){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	119.9460	0.115	2	119.9460	0.013	2	120.4235	0.752	6	121.1994	0.840	34	121.2361	2.620	226	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a,6a]	3:3:4:	3:4:1:1:	3:3:2:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6a,6a]-3:C[6,6a]-3:N[6a]-2:	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a,6a]O[6])(C[6]C[6]HH)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)(H)2	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a,6a])	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a,6a]O[6])(C[6]C[6]HH){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)(H)2{1|N<2>,1|O<2>,2|C<3>,2|C<4>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a,6a]){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	120.1310	0.000	1	120.1310	0.000	1	120.1310	0.000	1	121.1994	0.840	34	121.2361	2.620	226	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[3x6]-4:H-1:H-1:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]N[6,6]C[6a])(C[6]C[3x6]HH)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[3x6]C[6,6a]C[6,6]2)(H)2	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]N[6,6]C[6a])(C[6]C[3x6]HH){2|C<4>,2|H<1>,5|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[3x6]C[6,6a]C[6,6]2)(H)2{1|N<2>,1|N<3>,2|H<1>,6|C<3>}	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	120.5730	0.000	1	120.5730	0.000	1	120.5730	0.000	1	120.5021	4.446	34	121.2361	2.620	226	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6a,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]C[6])(C[6]C[5,6]HH)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]N[5,6]C[5]H)(H)2	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]C[6])(C[6]C[5,6]HH){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]N[5,6]C[5]H)(H)2{2|H<1>,3|C<3>,3|C<4>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	119.4590	0.000	1	119.4590	0.000	1	119.4590	0.000	1	120.5021	4.446	34	121.2361	2.620	226	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]O[6]H)(H)2	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]O[6]H)(H)2{1|C<4>,1|H<1>,1|S<4>,4|C<3>}	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){2|C<3>,2|C<4>,5|H<1>}	118.8310	0.000	1	118.8310	0.000	1	118.8310	0.000	1	120.5021	4.446	34	121.2361	2.620	226	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6a,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]C[6])(C[6]C[6,6]HH)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]N[6,6]C[6]H)(H)2	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]C[6])(C[6]C[6,6]HH){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]N[6,6]C[6]H)(H)2{2|H<1>,3|C<3>,3|C<4>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	119.5815	0.066	2	119.5815	0.004	2	119.5815	0.004	2	120.5021	4.446	34	121.2361	2.620	226	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[6a,6a]-3:C[6,6a]-3:	C[6,6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6,6a]C[6a]C[6])(C[6]C[6]HH)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)(H)2	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]C[6])	C[6,6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6,6a]C[6a]C[6])(C[6]C[6]HH){1|N<2>,3|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]C[6]){1|N<3>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	119.5010	0.000	1	119.5560	0.006	2	119.5560	0.006	2	120.5021	4.446	34	121.2361	2.620	226	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[6a,6a]-3:C[6,6a]-3:	C[6,6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6,6a]C[6a]C[6])(C[6]C[6]HH)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)(H)2	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]C[6])	C[6,6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6,6a]C[6a]C[6])(C[6]C[6]HH){1|N<3>,3|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]C[6]){1|N<2>,1|O<2>,2|C<4>,3|C<3>,4|H<1>}	119.6110	0.000	1	119.5560	0.006	2	119.5560	0.006	2	120.5021	4.446	34	121.2361	2.620	226	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[5,6]C[6a])(C[6]C[6]HH)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[5,6]HH)(H)2	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[5,6]C[6a])(C[6]C[6]HH){2|C<4>,3|C<3>,5|H<1>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[5,6]HH)(H)2{2|C<4>,4|C<3>}	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){2|C<3>,2|C<4>,5|H<1>}	118.0620	0.000	1	118.6990	0.812	2	119.5444	3.117	16	120.5021	4.446	34	121.2361	2.620	226	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[5,6]C[6a])(C[6]C[6]HH)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[5,6]HH)(H)2	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[5,6]C[6a])(C[6]C[6]HH){2|C<4>,3|C<3>,5|H<1>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[5,6]HH)(H)2{3|C<3>,3|C<4>}	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){2|C<3>,3|C<4>,4|H<1>}	119.3360	0.000	1	118.6990	0.812	2	119.5444	3.117	16	120.5021	4.446	34	121.2361	2.620	226	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6]C[6a])(C[6]C[6]HH)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6]HH)(H)2	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6]C[6a])(C[6]C[6]HH){3|C<3>,3|C<4>,4|H<1>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){2|C<3>,2|C<4>,5|H<1>}	118.0914	0.277	7	118.0914	0.077	7	119.5444	3.117	16	120.5021	4.446	34	121.2361	2.620	226	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]C[6a]2)(H)2	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|H<1>,1|O<1>,1|O<2>,6|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]C[6a]2)(H)2{9|C<3>}	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	121.7080	0.000	1	121.7080	0.000	1	119.5444	3.117	16	120.5021	4.446	34	121.2361	2.620	226	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[6]HH)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)(H)2	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[6]HH){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)(H)2{2|C<4>,4|C<3>}	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,3|C<3>,5|H<1>}	119.9050	0.000	1	119.9050	0.000	1	119.5444	3.117	16	120.5021	4.446	34	121.2361	2.620	226	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[6]HH)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]N[6]HH)(H)2	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[6]HH){1|N<3>,3|C<3>,6|H<1>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]N[6]HH)(H)2{1|C<4>,1|S<4>,3|C<3>}	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<2>,2|C<3>,2|C<4>,4|H<1>}	120.0510	0.000	2	120.0510	0.000	2	119.5444	3.117	16	120.5021	4.446	34	121.2361	2.620	226	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[6]HH)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]N[6]HH)(H)2	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[6]HH){2|N<2>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]N[6]HH)(H)2{4|C<3>}	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	122.6410	0.000	1	122.6410	0.000	1	119.5444	3.117	16	120.5021	4.446	34	121.2361	2.620	226	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[6]HH)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]O[6]CC)(H)2	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]C)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[6]HH){1|O<2>,2|H<1>,3|C<4>,4|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]O[6]CC)(H)2{1|C<4>,3|C<3>}	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]C){2|C<3>,3|C<4>,4|H<1>}	122.7530	0.000	1	122.7530	0.000	1	119.5444	3.117	16	120.5021	4.446	34	121.2361	2.620	226	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]HH)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6]HH)(H)2	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]HH){2|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6]HH)(H)2{1|O<2>,5|C<3>}	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	121.5630	0.000	1	121.5630	0.000	1	119.5444	3.117	16	120.5021	4.446	34	121.2361	2.620	226	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6a,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]2)(C[6,6a]C[6a]C[6])(C[6]C[6]HH)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)(H)2	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]N[6a])	C[6,6a](C[6a,6a]C[6a,6a]2)(C[6,6a]C[6a]C[6])(C[6]C[6]HH){1|C<4>,1|N<2>,4|C<3>,4|H<1>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]N[6a]){2|C<4>,4|C<3>,4|H<1>}	122.0885	1.117	2	122.0885	1.247	2	123.8317	4.511	4	120.5021	4.446	34	121.2361	2.620	226	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6a,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]2)(C[6,6a]C[6a]C[6])(C[6]C[6]HH)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]N[6]HH)(H)2	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]N[6a])	C[6,6a](C[6a,6a]C[6a,6a]2)(C[6,6a]C[6a]C[6])(C[6]C[6]HH){1|N<2>,1|N<3>,4|C<3>,4|H<1>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]N[6]HH)(H)2{1|C<4>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]N[6a]){2|C<4>,4|C<3>,4|H<1>}	125.3180	0.000	1	125.3180	0.000	1	123.8317	4.511	4	120.5021	4.446	34	121.2361	2.620	226	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6a,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]2)(C[6,6a]C[6a]C[6])(C[6]C[6]HH)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]S[6]HH)(H)2	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]N[6a])	C[6,6a](C[6a,6a]C[6a,6a]2)(C[6,6a]C[6a]C[6])(C[6]C[6]HH){1|N<2>,1|S<2>,4|C<3>,4|H<1>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]S[6]HH)(H)2{1|C<4>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]N[6a]){2|C<4>,4|C<3>,4|H<1>}	125.8320	0.000	1	125.8320	0.000	1	123.8317	4.511	4	120.5021	4.446	34	121.2361	2.620	226	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6a,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]2)(C[6]C[6]HH)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]HH)(H)2	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]C)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]2)(C[6]C[6]HH){1|C<2>,2|H<1>,6|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]HH)(H)2{5|C<3>}	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]C){1|C<2>,2|C<4>,2|H<1>,4|C<3>}	122.4175	0.822	4	122.4175	0.676	4	121.6996	1.664	7	120.5021	4.446	34	121.2361	2.620	226	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6a,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]2)(C[6]C[6]HH)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]HH)(H)2	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]2)(C[6]C[6]HH){3|H<1>,6|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]HH)(H)2{5|C<3>}	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	121.4660	0.066	2	121.4660	0.004	2	121.6996	1.664	7	120.5021	4.446	34	121.2361	2.620	226	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6a,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[6]HH)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)(H)2	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[6]HH){1|C<4>,3|C<3>,6|H<1>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H){2|C<3>,3|C<4>,4|H<1>}	119.2950	0.000	1	119.2950	0.000	1	121.6996	1.664	7	120.5021	4.446	34	121.2361	2.620	226	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a,6a]	3:3:4:	3:4:2:1:	3:3:2:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a,6a]-3:O[6a]-2:	C[6,6a](C[6a,6a]C[6a,6a]O[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]HO)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]BrH)(OC)(H)	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(O[6a]C[6a])	C[6,6a](C[6a,6a]C[6a,6a]O[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]HO){1|Br<1>,1|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]BrH)(OC)(H){2|C<3>,2|C<4>,2|O<2>}	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(O[6a]C[6a]){1|C<4>,1|O<1>,2|C<3>,2|O<2>,3|H<1>}	120.7030	0.000	1	120.7030	0.000	1	120.7197	0.012	3	120.7197	0.012	3	121.2361	2.620	226	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a,6a]	3:3:4:	3:4:2:1:	3:3:2:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a,6a]-3:O[6a]-2:	C[6,6a](C[6a,6a]C[6a,6a]O[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]HO)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]BrH)(OH)(H)	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(O[6a]C[6a])	C[6,6a](C[6a,6a]C[6a,6a]O[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]HO){1|Br<1>,1|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]BrH)(OH)(H){2|C<3>,2|C<4>,2|O<2>}	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(O[6a]C[6a]){1|C<4>,1|O<1>,2|C<3>,2|O<2>,3|H<1>}	120.8370	0.000	1	120.8370	0.000	1	120.7197	0.012	3	120.7197	0.012	3	121.2361	2.620	226	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a,6a]	3:3:4:	3:4:2:1:	3:3:2:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a,6a]-3:O[6a]-2:	C[6,6a](C[6a,6a]C[6a,6a]O[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]HO)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HO)(OC)(H)	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(O[6a]C[6a])	C[6,6a](C[6a,6a]C[6a,6a]O[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]HO){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HO)(OC)(H){2|C<3>,2|C<4>,2|O<2>}	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(O[6a]C[6a]){1|C<4>,1|O<1>,2|C<3>,2|O<2>,3|H<1>}	120.6190	0.000	1	120.6190	0.000	1	120.7197	0.012	3	120.7197	0.012	3	121.2361	2.620	226	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a,6a]	3:3:4:	3:4:2:1:	3:3:3:	C[6,6a,6a]-3:C[6a,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a,6a]C[6a,6a])(C[6]C[6,6a]CH)(OH)(H)	C[6a,6a](C[6,6a]C[6,6a,6a]C[6])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]O)	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6]C[6]HO){1|C<4>,1|H<1>,2|O<2>,5|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a,6a])(C[6]C[6,6a]CH)(OH)(H){5|C<3>}	C[6a,6a](C[6,6a]C[6,6a,6a]C[6])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]O){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	122.4850	0.000	1	122.4850	0.000	1	122.4850	0.000	1	121.0999	2.550	7	121.2361	2.620	226	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a,6a]	3:3:4:	3:4:2:1:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[5,6]-4:O-2:H-1:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[5,6]HO)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6]C[5]H)(OH)(H)	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[5,6]HO){2|C<4>,4|C<3>,4|H<1>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6]C[5]H)(OH)(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	118.1550	0.000	1	118.1550	0.000	1	118.1550	0.000	1	121.0999	2.550	7	121.2361	2.620	226	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a,6a]	3:3:4:	3:4:2:1:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-2:H-1:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]CH)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]CH)(CC)(H)	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]CH){1|C<4>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]CH)(CC)(H){1|O<2>,2|H<1>,3|C<3>}	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<2>,1|C<4>,1|O<2>,2|C<3>,4|H<1>}	120.8047	0.844	3	120.8047	0.712	3	120.8047	0.712	3	121.0999	2.550	7	121.2361	2.620	226	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a,6a]	3:3:4:	3:4:2:1:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]HO)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]CH)(OH)(H)	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a,6a]O)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]HO){1|H<1>,1|O<1>,1|O<2>,2|C<4>,3|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]CH)(OH)(H){1|O<2>,2|H<1>,3|C<3>}	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a,6a]O){1|C<4>,2|H<1>,2|O<2>,3|C<3>}	122.1900	0.000	1	122.1900	0.000	1	122.3225	0.035	2	121.0999	2.550	7	121.2361	2.620	226	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a,6a]	3:3:4:	3:4:2:1:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]N[5a,6]C[6a])(C[6]C[6]HO)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[5a,6]CC)(OH)(H)	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]N[5a,6]C[6a])(C[6]C[6]HO){1|N<2>,2|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[5a,6]CC)(OH)(H){1|N<3>,4|C<3>}	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,4|H<1>}	122.4550	0.000	1	122.4550	0.000	1	122.3225	0.035	2	121.0999	2.550	7	121.2361	2.620	226	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a,6a]	3:3:4:	3:4:3:1:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[6]CH)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]CH)(CCH)(H)	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[6]CH){2|C<4>,3|C<3>,5|H<1>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]CH)(CCH)(H){1|C<4>,5|C<3>}	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	119.1275	0.392	2	119.1275	0.154	2	119.1275	0.154	2	119.7460	2.385	10	121.2361	2.620	226	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a,6a]	3:3:4:	3:4:3:1:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(C[6]C[6a]C[6]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]HH)(C[6a]C[6a]2)(H)	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(C[6]C[6a]C[6]H){3|H<1>,7|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]HH)(C[6a]C[6a]2)(H){1|N<2>,2|H<1>,6|C<3>}	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|N<2>,1|N<3>,3|C<3>,3|H<1>}	120.8760	0.173	2	120.8760	0.030	2	120.8760	0.030	2	119.7460	2.385	10	121.2361	2.620	226	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a,6a]	3:3:4:	3:4:3:1:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[5,6]C[6a])(C[6]C[6]HN)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[5,6]HH)(NHS)(H)	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[5,6]C[6a])(C[6]C[6]HN){1|C<4>,4|C<3>,4|H<1>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[5,6]HH)(NHS)(H){1|C<4>,1|H<1>,4|C<3>}	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	118.4580	0.861	4	118.4580	0.742	4	119.5755	3.557	6	119.7460	2.385	10	121.2361	2.620	226	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a,6a]	3:3:4:	3:4:3:1:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]HN)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[5,6]HH)(NC[6a]H)(H)	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]HN){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[5,6]HH)(NC[6a]H)(H){2|O<2>,4|C<3>}	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,4|H<1>}	121.2750	0.000	1	121.2750	0.000	1	119.5755	3.557	6	119.7460	2.385	10	121.2361	2.620	226	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a,6a]	3:3:4:	3:4:3:1:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]HN)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]CH)(NN[5]C)(H)	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]HN){1|C<4>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]CH)(NN[5]C)(H){1|O<2>,2|H<1>,3|C<3>}	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,4|H<1>}	122.3460	0.000	1	122.3460	0.000	1	119.5755	3.557	6	119.7460	2.385	10	121.2361	2.620	226	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a,6a]	3:3:4:	3:4:4:1:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[5,6]C[6a])(C[6]C[6]CH)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[5,6]HH)(CH3)(H)	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[5,6]C[6a])(C[6]C[6]CH){1|C<4>,4|C<3>,4|H<1>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[5,6]HH)(CH3)(H){5|C<3>}	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	120.3520	0.000	1	120.3520	0.000	1	120.1952	3.499	6	120.1952	3.499	6	121.2361	2.620	226	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a,6a]	3:3:4:	3:4:4:1:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[6]CH)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]N[6]HH)(CHHI)(H)	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[6]CH){1|N<3>,4|C<3>,5|H<1>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]N[6]HH)(CHHI)(H){1|C<4>,1|S<4>,3|C<3>}	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){2|C<3>,3|C<4>,4|H<1>}	118.7370	0.758	3	118.7370	0.575	3	120.1952	3.499	6	120.1952	3.499	6	121.2361	2.620	226	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a,6a]	3:3:4:	3:4:4:1:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]CH)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)(CCHO)(H)	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]CH){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)(CCHO)(H){1|H<1>,2|O<2>,3|C<3>}	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	123.0280	0.000	1	123.0280	0.000	1	120.1952	3.499	6	120.1952	3.499	6	121.2361	2.620	226	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a,6a]	3:3:4:	3:4:4:1:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]CH)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)(CHHN)(H)	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]CH){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)(CHHN)(H){1|C<4>,2|O<2>,3|C<3>}	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	121.5800	0.000	1	121.5800	0.000	1	120.1952	3.499	6	120.1952	3.499	6	121.2361	2.620	226	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a,6a]	3:3:4:	3:4:4:2:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:O-2:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[5,6]O[6a])(C[6]C[6]CO)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)(CH3)(OH)	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[5,6]O[6a])(C[6]C[6]CO){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)(CH3)(OH){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<3>,1|O<1>,3|C<4>,4|O<2>}	121.7590	0.000	1	121.7590	0.000	1	121.7590	0.000	1	121.7590	0.000	1	121.2361	2.620	226	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a,6a]	3:3:4:	3:4:4:3:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:C-3:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[6]CC)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)(CH3)(COO)	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[6]CC){2|C<4>,3|C<3>,5|H<1>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)(CH3)(COO){1|C<4>,2|H<1>,3|C<3>}	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){3|C<3>,3|C<4>,3|H<1>}	119.3937	0.759	3	119.3937	0.576	3	119.3937	0.576	3	119.3937	0.576	3	121.2361	2.620	226	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a,6a]	3:3:4:	3:4:4:4:	3:3:2:	C[6,6,6a]-3:C[6a,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6,6a]-3:C[6a,6a]-3:O[6a]-2:	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6a,6a]C[6a,6a]O[6a])(C[6]C[6]CC)	C[6](C[6,6a]C[6,6,6a]C[6a,6a])(C[6]C[6]HH)(CH3)2	C[6a,6a](C[6,6a]C[6,6,6a]C[6])(C[6a,6a]C[6a]2)(O[6a]C[6a])	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6a,6a]C[6a,6a]O[6a])(C[6]C[6]CC){2|H<1>,3|C<3>,3|C<4>}	C[6](C[6,6a]C[6,6,6a]C[6a,6a])(C[6]C[6]HH)(CH3)2{1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6a,6a](C[6,6a]C[6,6,6a]C[6])(C[6a,6a]C[6a]2)(O[6a]C[6a]){1|N<3>,1|O<1>,2|C<3>,2|H<1>,3|C<4>}	122.6225	1.493	2	122.6225	2.228	2	122.6225	2.228	2	122.6225	2.228	2	121.2361	2.620	226	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a,6a]	3:3:4:	3:4:4:4:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[5,6]-4:C-4:C-4:	C[6a,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]C[6])(C[6]C[5,6]CC)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6]C[5]H)(CH3)2	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]C[6])(C[6]C[5,6]CC){1|C<4>,3|H<1>,5|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6]C[5]H)(CH3)2{2|C<4>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H){2|H<1>,3|C<4>,4|C<3>}	121.9030	0.000	1	121.9030	0.000	1	121.9030	0.000	1	121.9030	0.000	1	121.2361	2.620	226	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a,6a]	3:4:3:	3:3:3:1:	3:3:3:	C[6a,6a]-3:C[6]-4:C[6,6a]-3:	C[6,6a]-3:C[5,6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]N[6])	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H)	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]N[6]){3|H<1>,7|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,4|C<3>,4|H<1>}	119.7910	0.000	1	119.8725	0.013	2	119.8725	0.013	2	121.6024	0.697	28	121.2361	2.620	226	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a,6a]	3:4:3:	3:3:3:1:	3:3:3:	C[6a,6a]-3:C[6]-4:C[6,6a]-3:	C[6,6a]-3:C[5,6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]N[6])	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H)	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]N[6]){3|H<1>,7|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|C<4>,2|H<1>,5|C<3>}	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,4|C<3>,4|H<1>}	119.9540	0.000	1	119.8725	0.013	2	119.8725	0.013	2	121.6024	0.697	28	121.2361	2.620	226	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a,6a]	3:4:3:	3:3:3:1:	3:3:3:	C[6a,6a]-3:C[6]-4:C[6,6a]-3:	C[6,6a]-3:C[6,6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]N[6])	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]N[6]){3|H<1>,7|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|C<4>,2|H<1>,5|C<3>}	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,4|C<3>,4|H<1>}	121.9740	0.000	1	121.9740	0.000	1	121.8448	0.212	8	121.6024	0.697	28	121.2361	2.620	226	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a,6a]	3:4:3:	3:3:3:1:	3:3:3:	C[6a,6a]-3:C[6]-4:C[6,6a]-3:	C[6,6a]-3:C[6,6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]O[6])	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]O[6]){2|H<1>,7|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|H<1>,1|O<1>,2|C<4>,2|O<2>,5|C<3>}	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|O<2>,4|C<3>,4|H<1>}	121.8000	0.000	1	121.8263	0.244	7	121.8448	0.212	8	121.6024	0.697	28	121.2361	2.620	226	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a,6a]	3:4:3:	3:3:3:1:	3:3:3:	C[6a,6a]-3:C[6]-4:C[6,6a]-3:	C[6,6a]-3:C[6,6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]O[6])	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]O[6]){2|H<1>,7|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>,5|C<3>}	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|O<2>,4|C<3>,4|H<1>}	121.8307	0.541	6	121.8263	0.244	7	121.8448	0.212	8	121.6024	0.697	28	121.2361	2.620	226	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a,6a]	3:4:3:	3:3:3:1:	3:3:3:	C[6a,6a]-3:C[6]-4:C[6,6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]N[6])	C[6](C[6,6a]C[6a,6a]C[6,6a])2(C[6a]C[6a]2)(H)	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]N[6]){3|H<1>,7|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])2(C[6a]C[6a]2)(H){1|N<3>,2|H<1>,8|C<3>}	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,4|C<3>,4|H<1>}	121.7755	0.476	2	121.7755	0.226	2	121.6796	0.163	9	121.6024	0.697	28	121.2361	2.620	226	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a,6a]	3:4:3:	3:3:3:1:	3:3:3:	C[6a,6a]-3:C[6]-4:C[6,6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]O[6])	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]O[6]){2|H<1>,7|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,2|H<1>,2|N<3>,5|C<3>}	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|O<2>,4|C<3>,4|H<1>}	121.2760	0.000	1	121.2760	0.000	1	121.6796	0.163	9	121.6024	0.697	28	121.2361	2.620	226	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a,6a]	3:4:3:	3:3:3:1:	3:3:3:	C[6a,6a]-3:C[6]-4:C[6,6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]O[6])	C[6](C[6,6a]C[6a,6a]C[6,6a])2(C[6a]C[6a]2)(H)	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]O[6]){2|H<1>,7|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])2(C[6a]C[6a]2)(H){1|O<2>,2|H<1>,8|C<3>}	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|O<2>,4|C<3>,4|H<1>}	121.7148	0.422	6	121.7148	0.178	6	121.6796	0.163	9	121.6024	0.697	28	121.2361	2.620	226	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a,6a]	3:4:3:	3:3:3:1:	3:3:3:	C[6a,6a]-3:C[6]-4:C[6,6a]-3:	C[6,6a]-3:N[5,6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6]N[5,6]C[6a]H)(C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H)	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6]N[5,6]C[6a]H)(C[6,6a]C[6a]C[6]){1|C<4>,1|O<1>,2|H<1>,6|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H){1|O<1>,2|C<4>,3|H<1>,6|C<3>}	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,4|C<3>,4|H<1>}	118.9960	0.000	1	118.9960	0.000	1	120.4785	4.396	2	121.6024	0.697	28	121.2361	2.620	226	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a,6a]	3:4:3:	3:3:3:1:	3:3:3:	C[6a,6a]-3:C[6]-4:C[6,6a]-3:	C[6,6a]-3:N[5,6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6]N[5,6]C[6a]H)(C[6,6a]C[6a]O[6])	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]N[6a])(H)	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6]N[5,6]C[6a]H)(C[6,6a]C[6a]O[6]){1|N<2>,2|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]N[6a])(H){1|O<2>,2|C<4>,4|H<1>,5|C<3>}	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,1|O<2>,3|C<3>,4|H<1>}	121.9610	0.000	1	121.9610	0.000	1	120.4785	4.396	2	121.6024	0.697	28	121.2361	2.620	226	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a,6a]	3:4:3:	3:3:3:1:	3:3:3:	C[6a,6a]-3:C[6]-4:C[6,6a]-3:	C[6,6a]-3:N[6,6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6]N[6,6]C[6a]H)(C[6,6a]C[6a]O[6])	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6]N[6,6]C[6a]H)(C[6,6a]C[6a]O[6]){2|C<4>,2|H<1>,5|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|C<4>,1|O<2>,5|H<1>,6|C<3>}	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,1|O<2>,3|C<3>,4|H<1>}	121.9585	0.524	2	122.0417	0.206	7	122.0417	0.206	7	121.6024	0.697	28	121.2361	2.620	226	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a,6a]	3:4:3:	3:3:3:1:	3:3:3:	C[6a,6a]-3:C[6]-4:C[6,6a]-3:	C[6,6a]-3:N[6,6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6]N[6,6]C[6a]H)(C[6,6a]C[6a]O[6])	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6]N[6,6]C[6a]H)(C[6,6a]C[6a]O[6]){2|C<4>,2|H<1>,5|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|O<2>,2|C<4>,5|C<3>,5|H<1>}	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,1|O<2>,3|C<3>,4|H<1>}	121.9963	0.656	3	122.0417	0.206	7	122.0417	0.206	7	121.6024	0.697	28	121.2361	2.620	226	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a,6a]	3:4:3:	3:3:3:1:	3:3:3:	C[6a,6a]-3:C[6]-4:C[6,6a]-3:	C[6,6a]-3:N[6,6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6]N[6,6]C[6a]H)(C[6,6a]C[6a]O[6])	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6]N[6,6]C[6a]H)(C[6,6a]C[6a]O[6]){2|C<4>,2|H<1>,5|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|O<2>,3|C<4>,4|H<1>,5|C<3>}	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,1|O<2>,3|C<3>,4|H<1>}	122.1930	0.185	2	122.0417	0.206	7	122.0417	0.206	7	121.6024	0.697	28	121.2361	2.620	226	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a,6a]	3:4:3:	3:3:3:3:	3:3:3:	C[6a,6a]-3:C[6]-4:C[6,6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]C[6a]N)(C[6,6a]C[6a]O[6])	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(NCH)	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]C[6a]N)(C[6,6a]C[6a]O[6]){2|H<1>,7|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(NCH){4|O<2>,7|C<3>}	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,1|O<2>,3|H<1>,4|C<3>}	121.2330	0.000	1	121.2330	0.000	1	121.2330	0.000	1	121.2330	0.000	1	121.2361	2.620	226	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a,6a]	3:4:3:	3:4:3:1:	3:3:3:	C[6a,6a]-3:C[6]-4:C[6,6a]-3:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]O[6])	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H)	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]O[6]){1|C<4>,3|H<1>,6|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H){1|C<4>,1|H<1>,1|O<1>,2|O<2>,7|C<3>}	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|O<2>,3|C<3>,3|H<1>}	120.6060	0.000	1	120.6060	0.000	1	120.6060	0.000	1	120.8330	0.543	3	121.2361	2.620	226	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a,6a]	3:4:3:	3:4:3:1:	3:3:3:	C[6a,6a]-3:C[6]-4:C[6,6a]-3:	C[6,6a]-3:C[6,6]-4:C[6a]-3:H-1:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]N[6])	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(H)	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]N[6]){1|O<1>,1|O<2>,2|C<4>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(H){1|N<3>,1|O<2>,5|H<1>,6|C<3>}	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	121.6570	0.000	1	121.6570	0.000	1	120.9465	1.010	2	120.8330	0.543	3	121.2361	2.620	226	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a,6a]	3:4:3:	3:4:3:1:	3:3:3:	C[6a,6a]-3:C[6]-4:C[6,6a]-3:	C[6,6a]-3:C[6,6]-4:C[6a]-3:H-1:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]N[6])	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6]3)(C[6a]C[6a]2)(H)	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]N[6]){1|C<4>,3|H<1>,7|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6]3)(C[6a]C[6a]2)(H){2|O<1>,3|H<1>,3|N<3>,6|C<3>}	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	120.2360	0.000	1	120.2360	0.000	1	120.9465	1.010	2	120.8330	0.543	3	121.2361	2.620	226	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:2:1:1:	3:2:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:S[6]-2:H-1:H-1:	C[6,6a]-3:N[6a]-2:C[6a]-3:	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6a]C[6a]N[6a])(C[6]S[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[5a,6a])(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6a]C[6a]N[6a])(C[6]S[6]HH){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6])(H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[5a,6a])(C[6a]C[6a]2){1|C<4>,1|N<3>,1|S<2>,3|C<3>,4|H<1>}	119.7680	0.000	1	119.7680	0.000	1	121.9905	9.879	2	121.9905	9.879	2	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:2:1:1:	3:2:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:S[6]-2:H-1:H-1:	C[6,6a]-3:N[6a]-2:C[6a]-3:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]N[6a])(C[6]S[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a,6a])(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]N[6a])(C[6]S[6]HH){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6])(H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a,6a])(C[6a]C[6a]2){1|C<4>,1|S<2>,4|C<3>,4|H<1>}	124.2130	0.000	1	124.2130	0.000	1	121.9905	9.879	2	121.9905	9.879	2	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:2:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,3|H<1>}	119.1510	0.000	1	119.1510	0.000	1	121.2590	2.138	4	120.8834	4.780	156	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:2:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(H)2{1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,3|H<1>}	121.6895	0.213	2	121.6895	0.045	2	121.2590	2.138	4	120.8834	4.780	156	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:2:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HH){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(H)2{1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|O<2>,3|H<1>}	122.5060	0.000	1	122.5060	0.000	1	121.2590	2.138	4	120.8834	4.780	156	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:2:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[5,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6a]C[5,6a]H)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[5,6])(H)2	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H)	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6a]C[5,6a]H)(C[6]O[6]HH){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[5,6])(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	118.0920	0.509	3	118.0920	0.259	3	118.0920	0.259	3	120.8834	4.780	156	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:2:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[5a,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5a,6a]H)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[5a,6a]C[5a,6a]2)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5a,6a]H)(C[6]O[6]HH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[5a,6a]C[5a,6a]2)(H){1|N<3>,1|O<2>,2|H<1>,4|C<3>}	121.7340	0.000	1	120.9015	1.386	2	120.9015	1.386	2	120.8834	4.780	156	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:2:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[5a,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5a,6a]H)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[5a,6a]C[5a,6a]2)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5a,6a]H)(C[6]O[6]HH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[5a,6a]C[5a,6a]2)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>,3|C<3>}	120.0690	0.000	1	120.9015	1.386	2	120.9015	1.386	2	120.8834	4.780	156	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:2:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:Br-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]Br)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(Br)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]Br)(C[6]O[6]HH){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{1|Br<1>,1|O<2>,2|C<3>,2|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(Br){1|C<3>,2|O<2>,3|H<1>}	123.0480	0.000	1	123.0480	0.000	1	123.0480	0.000	1	120.8834	4.780	156	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:2:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:F-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]F)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(F)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]F)(C[6]O[6]HH){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(H)2{1|F<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(F){1|O<2>,2|C<3>,3|H<1>}	123.4375	0.070	2	123.4375	0.005	2	122.5087	2.591	3	120.8834	4.780	156	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:2:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:F-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]F)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[5,6])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(F)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]F)(C[6]O[6]HH){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[5,6])(H)2{1|F<1>,1|O<2>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(F){1|O<2>,2|C<3>,3|H<1>}	120.6510	0.000	1	120.6510	0.000	1	122.5087	2.591	3	120.8834	4.780	156	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:2:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]HH){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	122.6640	0.388	3	122.6640	0.151	3	121.1867	3.627	114	120.8834	4.780	156	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:2:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[3x6]C[6a])(C[6a]C[6a]H)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]P[3x6])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[3x6]C[6a])(C[6a]C[6a]H)(C[6]O[6]HH){1|P<5>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]P[3x6])(H)2{1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	121.8240	0.574	3	121.8240	0.329	3	121.1867	3.627	114	120.8834	4.780	156	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:2:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[5,6])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]HH){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[5,6])(H)2{1|C<4>,1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|O<2>,2|C<3>,2|H<1>}	119.3190	0.000	1	119.1963	0.218	6	121.1867	3.627	114	120.8834	4.780	156	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:2:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[5,6])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]HH){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[5,6])(H)2{1|C<4>,1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,3|H<1>}	119.0400	0.327	3	119.1963	0.218	6	121.1867	3.627	114	120.8834	4.780	156	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:2:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[5,6])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]HH){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[5,6])(H)2{1|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,3|H<1>}	118.7670	0.000	1	119.1963	0.218	6	121.1867	3.627	114	120.8834	4.780	156	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:2:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[5,6])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]HH){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[5,6])(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	119.9720	0.000	1	119.1963	0.218	6	121.1867	3.627	114	120.8834	4.780	156	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:2:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]HH){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	121.3600	0.000	1	121.3600	0.000	1	121.1867	3.627	114	120.8834	4.780	156	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:2:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]HH){1|C<3>,2|C<4>,3|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	117.6040	0.464	5	117.6040	0.216	5	121.1867	3.627	114	120.8834	4.780	156	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:2:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6a]C[6,6a])(C[6a]C[6a]H)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[5,6a]H)(H)	C[6,6a](C[6,6a]C[5,6a]C[6,6a])(C[6a]C[6a]H)(C[6]O[6]HH){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(H)2{1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[5,6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.8820	0.000	1	120.8820	0.000	1	121.1867	3.627	114	120.8834	4.780	156	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:2:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[5a,6])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]HH){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[5a,6])(H)2{1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|O<2>,2|C<3>,3|H<1>}	119.6900	0.000	1	119.6900	0.000	1	121.1867	3.627	114	120.8834	4.780	156	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:2:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[5a,6a]H)(H)	C[6,6a](C[6,6a]C[5a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]O[6]HH){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(H)2{1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[5a,6a]H)(H){2|C<3>,2|H<1>,2|O<2>}	123.4710	0.000	1	123.4710	0.000	1	121.1867	3.627	114	120.8834	4.780	156	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:2:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]HH){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	119.8850	0.000	1	120.1335	0.124	4	121.1867	3.627	114	120.8834	4.780	156	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:2:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]HH){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|F<1>,1|O<2>,2|C<3>,2|H<1>}	120.2670	0.000	1	120.1335	0.124	4	121.1867	3.627	114	120.8834	4.780	156	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:2:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]HH){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(H)2{1|H<1>,1|O<2>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,3|H<1>}	120.1910	0.536	2	120.1335	0.124	4	121.1867	3.627	114	120.8834	4.780	156	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:2:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]HH){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	119.9650	0.000	1	119.9650	0.000	1	121.1867	3.627	114	120.8834	4.780	156	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:2:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]HH){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.3280	0.000	1	120.3280	0.000	1	121.1867	3.627	114	120.8834	4.780	156	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:2:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]H)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6,6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]H)(C[6]O[6]HH){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(H)2{1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	119.6510	0.000	1	119.6510	0.000	1	121.1867	3.627	114	120.8834	4.780	156	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:2:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]O[6]HH){2|C<4>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(H)2{1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|O<2>,2|C<3>,3|H<1>}	122.3140	0.000	1	122.3140	0.000	1	121.1867	3.627	114	120.8834	4.780	156	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:2:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]O[6]HH){1|H<1>,2|C<3>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(H)2{1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,3|H<1>}	122.1570	0.000	1	122.4526	1.365	12	121.1867	3.627	114	120.8834	4.780	156	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:2:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]O[6]HH){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(H)2{1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,3|H<1>}	123.1970	0.626	5	122.4526	1.365	12	121.1867	3.627	114	120.8834	4.780	156	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:2:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]O[6]HH){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(H)2{1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|O<2>,2|C<3>,2|H<1>}	123.1200	0.000	1	122.4526	1.365	12	121.1867	3.627	114	120.8834	4.780	156	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:2:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]O[6]HH){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(H)2{1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	121.6400	0.000	1	122.4526	1.365	12	121.1867	3.627	114	120.8834	4.780	156	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:2:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]O[6]HH){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(H)2{1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	123.6770	0.000	1	122.4526	1.365	12	121.1867	3.627	114	120.8834	4.780	156	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:2:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]O[6]HH){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(H)2{1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,3|H<1>}	120.9507	0.781	3	122.4526	1.365	12	121.1867	3.627	114	120.8834	4.780	156	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:2:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]O[6]HH){1|H<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(H)2{1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){2|C<3>,2|H<1>,2|O<2>}	117.6965	0.090	2	117.6965	0.008	2	121.1867	3.627	114	120.8834	4.780	156	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:2:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]N[6a]C)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]O[6]HH){1|N<2>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(H)2{1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]N[6a]C)(H){1|O<2>,2|C<3>,2|H<1>}	122.5280	0.000	1	122.5280	0.000	1	121.1867	3.627	114	120.8834	4.780	156	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:2:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]H)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]O[6]HH){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(H)2{1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]H)(H){1|O<2>,2|H<1>,3|C<3>}	121.1260	0.202	2	121.1260	0.041	2	121.1867	3.627	114	120.8834	4.780	156	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:2:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HH){1|C<3>,1|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(H)2{1|C<4>,1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	124.2480	0.000	1	120.8580	3.724	5	121.1867	3.627	114	120.8834	4.780	156	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:2:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HH){1|C<3>,1|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.0105	0.420	4	120.8580	3.724	5	121.1867	3.627	114	120.8834	4.780	156	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:2:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HH){1|C<2>,1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,3|H<1>}	120.1700	0.000	1	121.0240	3.407	32	121.1867	3.627	114	120.8834	4.780	156	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:2:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HH){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	119.7360	0.496	2	121.0240	3.407	32	121.1867	3.627	114	120.8834	4.780	156	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:2:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HH){1|C<3>,1|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	119.9115	0.600	6	121.0240	3.407	32	121.1867	3.627	114	120.8834	4.780	156	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:2:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HH){1|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{1|C<4>,1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	118.8160	0.000	1	121.0240	3.407	32	121.1867	3.627	114	120.8834	4.780	156	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:2:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HH){1|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	119.8130	0.000	1	121.0240	3.407	32	121.1867	3.627	114	120.8834	4.780	156	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:2:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HH){1|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	117.7270	0.000	1	121.0240	3.407	32	121.1867	3.627	114	120.8834	4.780	156	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:2:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	119.1870	0.000	1	121.0240	3.407	32	121.1867	3.627	114	120.8834	4.780	156	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:2:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	119.8565	2.375	2	121.0240	3.407	32	121.1867	3.627	114	120.8834	4.780	156	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:2:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HH){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,3|H<1>}	121.7040	0.000	1	121.0240	3.407	32	121.1867	3.627	114	120.8834	4.780	156	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:2:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HH){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|O<2>,2|C<3>,2|H<1>}	124.1960	0.000	1	121.0240	3.407	32	121.1867	3.627	114	120.8834	4.780	156	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:2:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HH){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,3|H<1>}	119.1240	0.000	1	121.0240	3.407	32	121.1867	3.627	114	120.8834	4.780	156	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:2:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HH){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,3|H<1>}	122.4880	0.000	1	121.0240	3.407	32	121.1867	3.627	114	120.8834	4.780	156	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:2:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HH){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	122.6010	0.000	1	121.0240	3.407	32	121.1867	3.627	114	120.8834	4.780	156	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:2:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HH){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	119.7020	0.747	2	121.0240	3.407	32	121.1867	3.627	114	120.8834	4.780	156	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:2:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HH){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	121.3150	0.000	1	121.0240	3.407	32	121.1867	3.627	114	120.8834	4.780	156	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:2:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HH){1|F<1>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	123.6470	0.000	1	121.0240	3.407	32	121.1867	3.627	114	120.8834	4.780	156	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:2:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HH){1|I<1>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,3|H<1>}	123.9280	0.000	1	121.0240	3.407	32	121.1867	3.627	114	120.8834	4.780	156	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:2:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HH){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,3|H<1>}	122.5060	0.139	2	121.0240	3.407	32	121.1867	3.627	114	120.8834	4.780	156	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:2:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HH){1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	122.9885	0.904	2	121.0240	3.407	32	121.1867	3.627	114	120.8834	4.780	156	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:2:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HH){1|P<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,3|H<1>}	123.3800	0.000	1	121.0240	3.407	32	121.1867	3.627	114	120.8834	4.780	156	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:2:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HH){2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,3|H<1>}	122.8130	0.160	2	121.0240	3.407	32	121.1867	3.627	114	120.8834	4.780	156	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:2:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HH){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	117.8650	0.000	1	117.8650	0.000	1	121.1867	3.627	114	120.8834	4.780	156	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:2:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[5,6])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]O[6]HH){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[5,6])(H)2{1|H<1>,1|N<3>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,1|O<2>,3|H<1>}	121.3340	0.031	2	121.3340	0.001	2	121.1867	3.627	114	120.8834	4.780	156	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:2:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]O[6]HH){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|S<4>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H){1|C<3>,1|N<3>,1|O<2>,3|H<1>}	119.9290	0.000	1	119.9290	0.000	1	121.1867	3.627	114	120.8834	4.780	156	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:2:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]O[6]HH){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,1|O<2>,3|H<1>}	121.8163	0.225	3	122.5076	2.484	8	121.1867	3.627	114	120.8834	4.780	156	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:2:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]O[6]HH){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,1|O<2>,3|H<1>}	121.5185	0.125	2	122.5076	2.484	8	121.1867	3.627	114	120.8834	4.780	156	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:2:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]O[6]HH){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,1|O<2>,3|H<1>}	125.5880	0.000	1	122.5076	2.484	8	121.1867	3.627	114	120.8834	4.780	156	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:2:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]O[6]HH){1|F<1>,1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{1|H<1>,2|C<3>,2|N<2>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|O<2>,3|H<1>}	124.3940	0.000	1	122.5076	2.484	8	121.1867	3.627	114	120.8834	4.780	156	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:2:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]O[6]HH){1|Ru<8>,1|C<3>,1|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{1|N<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<4>,1|O<2>,3|H<1>}	121.5930	0.000	1	122.5076	2.484	8	121.1867	3.627	114	120.8834	4.780	156	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:2:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]O[6]HH){1|C<3>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|C<3>,2|O<2>,3|H<1>}	121.4920	0.424	2	121.4920	0.180	2	121.1867	3.627	114	120.8834	4.780	156	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:2:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]O[6]HH){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|C<3>,2|O<2>,3|H<1>}	122.0180	0.000	1	122.0477	0.345	10	121.1867	3.627	114	120.8834	4.780	156	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:2:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]O[6]HH){1|C<3>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|C<3>,2|O<2>,3|H<1>}	121.9305	0.281	6	122.0477	0.345	10	121.1867	3.627	114	120.8834	4.780	156	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:2:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]O[6]HH){1|C<3>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|C<3>,2|O<2>,3|H<1>}	122.2920	1.105	3	122.0477	0.345	10	121.1867	3.627	114	120.8834	4.780	156	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:2:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]O[6]HH){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,2|O<2>,3|H<1>}	121.6320	0.000	1	121.6320	0.000	1	121.1867	3.627	114	120.8834	4.780	156	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:2:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]P[6])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]O[6]HH){1|C<3>,1|C<4>,1|H<1>,1|P<4>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]P[6])(H)2{1|H<1>,1|O<1>,2|C<3>,2|O<2>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|O<2>,3|H<1>}	121.4050	0.000	1	121.4050	0.000	1	121.1867	3.627	114	120.8834	4.780	156	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:2:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[5,6])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]HH){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[5,6])(H)2{1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,1|O<2>,3|H<1>}	122.6660	0.000	1	122.6660	0.000	1	121.1867	3.627	114	120.8834	4.780	156	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:2:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[3x6])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]HH){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[3x6])(H)2{1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,1|O<2>,3|H<1>}	125.3600	0.109	2	125.3600	0.012	2	121.1867	3.627	114	120.8834	4.780	156	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:2:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]HH){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(H)2{1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,1|O<2>,3|H<1>}	118.6770	0.000	1	121.6775	18.006	2	121.1867	3.627	114	120.8834	4.780	156	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:2:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]HH){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(H)2{1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,1|O<2>,3|H<1>}	124.6780	0.000	1	121.6775	18.006	2	121.1867	3.627	114	120.8834	4.780	156	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:2:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:N[5,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]N[5,6a]O)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(N[5,6a]C[5,6a]C[5])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]N[5,6a]O)(C[6]O[6]HH){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{1|C<3>,1|C<4>,1|N<3>,2|O<1>}	C[6a](C[6,6a]C[6,6a]C[6])(N[5,6a]C[5,6a]C[5])(O){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	115.6240	0.000	1	116.5900	1.861	4	116.5900	1.861	4	120.8834	4.780	156	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:2:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:N[5,6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]N[5,6a]O)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(N[5,6a]C[5,6a]C[5])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]N[5,6a]O)(C[6]O[6]HH){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{1|C<3>,1|C<4>,1|N<3>,2|O<1>}	C[6a](C[6,6a]C[6,6a]C[6])(N[5,6a]C[5,6a]C[5])(O){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	116.9120	1.473	3	116.5900	1.861	4	116.5900	1.861	4	120.8834	4.780	156	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:2:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:N[6a]-3:O-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]N[6a]O)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]2)(O)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]N[6a]O)(C[6]O[6]HH){1|C<4>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(H)2{1|N<3>,1|O<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]2)(O){1|O<2>,2|H<1>,5|C<3>}	117.2245	1.036	2	116.6912	0.696	5	116.6912	0.696	5	120.8834	4.780	156	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:2:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:N[6a]-3:O-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]N[6a]O)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]2)(O)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]N[6a]O)(C[6]O[6]HH){5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(H)2{1|N<3>,1|O<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]2)(O){1|O<2>,2|H<1>,5|C<3>}	116.3357	0.618	3	116.6912	0.696	5	116.6912	0.696	5	120.8834	4.780	156	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:2:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6a,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a,6a]H)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(H)	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a,6a]H)(C[6]O[6]HH){4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(H)2{1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(H){1|N<2>,1|O<2>,3|C<3>,3|H<1>}	123.3853	0.602	3	123.3853	0.362	3	122.6969	1.067	7	120.8834	4.780	156	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:2:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6a,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a,6a]H)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]B[6,6])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a,6a]H)(C[6]O[6]HH){1|B<4>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]B[6,6])(H)2{1|H<1>,2|C<3>,3|O<2>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(H){2|O<2>,3|C<3>,3|H<1>}	122.1805	1.031	4	122.1805	1.063	4	122.6969	1.067	7	120.8834	4.780	156	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:2:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6a,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]O[6a]C[6])(C[6a]C[6a,6a]O)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(O)	C[6,6a](C[6,6a]O[6a]C[6])(C[6a]C[6a,6a]O)(C[6]O[6]HH){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(O){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	119.5100	0.000	1	119.5100	0.000	1	119.5100	0.000	1	120.8834	4.780	156	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:2:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:S[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]S[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(S[6]C[5,6])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]S[6]HH){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(S[6]C[5,6])(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|S<2>,2|C<3>,3|H<1>}	118.2130	1.004	2	118.2130	1.008	2	120.1175	6.246	11	120.8834	4.780	156	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:2:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:S[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]S[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]S[6]HH){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6])(H)2{1|H<1>,1|O<2>,1|S<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|S<2>,2|C<3>,3|H<1>}	122.4240	0.000	1	122.4240	0.000	1	120.1175	6.246	11	120.8834	4.780	156	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:2:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:S[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]S[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(S[6]S[6])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]S[6]HH){1|C<3>,1|S<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(S[6]S[6])(H)2{1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|S<2>,3|H<1>}	122.0780	0.000	1	122.0780	0.000	1	120.1175	6.246	11	120.8834	4.780	156	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:2:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:S[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]S[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]S[6]HH){1|F<1>,1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6])(H)2{1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|S<2>,3|H<1>}	123.0955	0.138	2	123.0955	0.019	2	120.1175	6.246	11	120.8834	4.780	156	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:2:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:S[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]S[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(S[6]P[6])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]S[6]HH){1|C<3>,1|P<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(S[6]P[6])(H)2{1|H<1>,1|O<2>,1|S<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,1|S<2>,3|H<1>}	120.5985	2.788	2	120.5985	7.774	2	120.1175	6.246	11	120.8834	4.780	156	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:2:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:S[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]S[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]S[6]HH){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6])(H)2{1|S<2>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|S<2>,3|H<1>}	117.0460	0.000	1	117.0460	0.000	1	120.1175	6.246	11	120.8834	4.780	156	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:2:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:S[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]Si[6])(C[6a]C[6a]H)(C[6]S[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]Si[6])(C[6a]C[6a]H)(C[6]S[6]HH){1|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6])(H)2{1|Si<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|Si<4>,1|C<3>,1|S<2>,3|H<1>}	117.9650	0.584	2	117.9650	0.341	2	120.1175	6.246	11	120.8834	4.780	156	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:2:1:1:	3:3:1:	N[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6a,6a]-3:C[6,6a]-3:Br-1:	C[6,6a](N[6,6a]C[6,6]C[6a])(C[6a]C[6a,6a]Br)(C[6]O[6]HH)	C[6](C[6,6a]N[6,6a]C[6a])(O[6]C[6,6])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]N[6,6a]C[6])(Br)	C[6,6a](N[6,6a]C[6,6]C[6a])(C[6a]C[6a,6a]Br)(C[6]O[6]HH){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6](C[6,6a]N[6,6a]C[6a])(O[6]C[6,6])(H)2{1|Br<1>,2|C<4>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]N[6,6a]C[6])(Br){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	121.3360	0.000	1	121.3360	0.000	1	121.3360	0.000	1	120.8834	4.780	156	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:2:1:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:O-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]O)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	C[6a](C[6,6a]C[6,6a]C[6])2(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]O)(C[6]O[6]HH){1|H<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{1|C<4>,1|O<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])2(OC){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	120.8490	0.000	1	120.8490	0.000	1	120.8490	0.000	1	119.6680	0.503	5	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:2:1:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]O[6]HH){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	119.6410	0.000	1	119.3727	0.089	4	119.3727	0.089	4	119.6680	0.503	5	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:2:1:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]O[6]HH){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	119.1710	0.308	2	119.3727	0.089	4	119.3727	0.089	4	119.6680	0.503	5	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:2:1:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]O[6]HH){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	119.5080	0.000	1	119.3727	0.089	4	119.3727	0.089	4	119.6680	0.503	5	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:2:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-3:	C[6,6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]C)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]C)(COO)	C[6,6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]C)(C[6]O[6]HH){5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(H)2{5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]C)(COO){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	124.1095	0.592	6	124.1095	0.351	6	124.1095	0.351	6	122.8179	2.575	20	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:2:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]2)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]C)(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]2)(C[6]O[6]HH){1|C<4>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(H)2{5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]C)(C[6a]C[6a]2){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	121.7002	1.030	4	121.7002	1.062	4	121.4645	0.647	10	122.8179	2.575	20	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:2:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]2)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]2)(C[6]O[6]HH){7|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(H)2{5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2){1|C<4>,1|O<2>,4|H<1>,6|C<3>}	121.3073	0.673	6	121.3073	0.453	6	121.4645	0.647	10	122.8179	2.575	20	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:2:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6a,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a,6a]C[6a])(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a,6a]C[6a])(C[6]O[6]HH){6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(H)2{1|N<2>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2){1|N<2>,1|O<2>,5|C<3>,5|H<1>}	122.5470	0.000	1	122.5470	0.000	1	122.5470	0.000	1	122.8179	2.575	20	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:2:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:S[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[5]-3:	C[6,6a](C[6,6a]C[6,6a]O[6a])(C[6a]C[6a]N[5])(C[6]S[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6,6a])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(N[5]C[5]2)	C[6,6a](C[6,6a]C[6,6a]O[6a])(C[6a]C[6a]N[5])(C[6]S[6]HH){1|C<2>,2|C<4>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6,6a])(H)2{1|N<3>,1|O<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(N[5]C[5]2){1|C<3>,1|O<1>,1|O<2>,1|S<2>,2|C<4>,6|H<1>}	125.1220	0.496	2	125.1220	0.246	2	125.1220	0.246	2	122.8179	2.575	20	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:2:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:S[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6,6a]O[6a])(C[6a]C[6a]N[6])(C[6]S[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6,6a])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(N[6]C[6]2)	C[6,6a](C[6,6a]C[6,6a]O[6a])(C[6a]C[6a]N[6])(C[6]S[6]HH){1|C<2>,2|C<4>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6,6a])(H)2{1|N<3>,1|O<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(N[6]C[6]2){1|C<3>,1|O<1>,1|O<2>,1|S<2>,2|C<4>,6|H<1>}	124.2660	0.000	1	124.2660	0.000	1	124.2660	0.000	1	122.8179	2.575	20	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:2:1:1:	3:3:4:	C[6,6a,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]C)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a,6a]C[6a])(O[6]C[6])(H)2	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]O[6a]O)(CCHH)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]C)(C[6]O[6]HH){1|O<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(O[6]C[6])(H)2{1|C<4>,1|O<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]O[6a]O)(CCHH){1|O<2>,2|C<3>,2|H<1>}	123.1720	0.000	1	123.1720	0.000	1	123.1720	0.000	1	122.3735	2.418	11	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:2:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]C)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]C)(CH3)	C[6,6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]C)(C[6]O[6]HH){1|C<4>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(H)2{1|C<4>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]C)(CH3){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	123.6060	0.563	4	123.6060	0.317	4	122.2461	2.910	9	122.3735	2.418	11	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:2:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]C)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]C[6a])(CCHH)	C[6,6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]C)(C[6]O[6]HH){5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(H)2{1|C<4>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]C[6a])(CCHH){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	120.9513	1.649	4	120.9513	2.719	4	122.2461	2.910	9	122.3735	2.418	11	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:2:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]C)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CH3)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]C)(C[6]O[6]HH){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(H)2{1|C<4>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CH3){1|O<2>,2|C<3>,3|H<1>}	121.9860	0.000	1	121.9860	0.000	1	122.2461	2.910	9	122.3735	2.418	11	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:2:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[5]-4:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]C[5])(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(C[5]C[5]2H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]C[5])(C[6]O[6]HH){1|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{1|O<2>,2|C<3>,3|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(C[5]C[5]2H){1|B<3>,1|C<3>,2|O<2>,3|H<1>,5|C<4>}	122.7220	0.000	1	122.7220	0.000	1	122.7220	0.000	1	122.3735	2.418	11	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:2:2:1:	3:3:1:	C[6,6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:O-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6,6a]C[6,6,6a]C[6,6a])(C[6a]C[6a]H)(C[6]O[6]HO)	C[6](C[6,6a]C[6,6,6a]C[6a])(O[6]C[6,6a])(OC)(H)	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]Br)(H)	C[6,6a](C[6,6,6a]C[6,6,6a]C[6,6a])(C[6a]C[6a]H)(C[6]O[6]HO){1|Br<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6,6a]C[6a])(O[6]C[6,6a])(OC)(H){1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]Br)(H){1|H<1>,2|C<3>,3|O<2>}	124.3460	0.062	2	124.3460	0.004	2	124.3460	0.004	2	120.6606	2.826	19	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:2:2:1:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:O-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]O[6]HO)	C[6](C[6,6a]C[6,6a,6a]C[6a])(O[6]C[6])(OH)(H)	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]O[6]HO){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(O[6]C[6])(OH)(H){1|H<1>,1|O<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(H){2|C<3>,2|H<1>,2|O<2>}	120.4050	1.385	2	120.4050	1.917	2	120.4050	1.917	2	120.6606	2.826	19	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:2:2:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-2:O-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(OH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]HO){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(OH)(H){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,1|O<2>,2|H<1>}	121.1240	0.000	1	121.1240	0.000	1	121.1240	0.000	1	120.6606	2.826	19	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:2:2:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:O-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[5,6])(OH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]HO){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[5,6])(OH)(H){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	118.3240	0.000	1	118.3240	0.000	1	120.1092	1.455	13	120.6606	2.826	19	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:2:2:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:O-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(OC)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HO){1|I<1>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(OC)(H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){2|C<3>,2|H<1>,2|O<2>}	120.7696	1.018	8	120.7696	1.037	8	120.1092	1.455	13	120.6606	2.826	19	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:2:2:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:O-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(OC[6])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HO){1|C<3>,1|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(OC[6])(H){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	118.6570	0.000	1	118.6570	0.000	1	120.1092	1.455	13	120.6606	2.826	19	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:2:2:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:O-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(OO)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HO){1|C<3>,1|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(OO)(H){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	119.4270	0.098	3	119.4270	0.010	3	120.1092	1.455	13	120.6606	2.826	19	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:2:2:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:O-2:H-1:	C[6a,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6,6a]O[6a])(C[6a]C[6a,6a]O)(C[6]O[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(OH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(O)	C[6,6a](C[6,6a]C[6,6a]O[6a])(C[6a]C[6a,6a]O)(C[6]O[6]HO){4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(OH)(H){1|O<1>,1|O<2>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(O){2|H<1>,3|C<3>,3|O<2>}	120.5070	0.000	1	120.5070	0.000	1	120.5070	0.000	1	120.6606	2.826	19	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:2:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:C-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]O[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CCH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]O[6]CH){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CCH)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	120.8320	0.000	1	121.4940	0.342	3	122.1372	1.883	4	121.4094	4.061	5	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:2:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:C-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]O[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CCH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]O[6]CH){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CCH)(H){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,1|N<2>,1|O<2>,2|C<3>}	121.8250	0.164	2	121.4940	0.342	3	122.1372	1.883	4	121.4094	4.061	5	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:2:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:C-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]O[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(COO)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]O[6]CH){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(COO)(H){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<2>,1|O<2>,2|C<3>,2|H<1>}	124.0670	0.000	1	124.0670	0.000	1	122.1372	1.883	4	121.4094	4.061	5	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:2:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:N-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]HN)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(NCC)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]HN){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(NCC)(H){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	118.4980	0.000	1	118.4980	0.000	1	118.4980	0.000	1	121.4094	4.061	5	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:2:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:C-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]CO)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(CC[6a]O)(OH)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]CO){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(CC[6a]O)(OH){1|H<1>,1|O<2>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,2|O<2>,3|C<3>}	119.9130	0.000	2	119.9130	0.000	2	119.9130	0.000	2	119.9130	0.000	2	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:2:4:1:	3:2:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:C-4:H-1:	C[6,6a]-3:O[6a]-2:O-1:	C[6,6a](C[6,6a]C[6a,6a]C[5,6])(C[6a]O[6a]O)(C[6]O[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]N[5,6])(CH3)(H)	C[6a](C[6,6a]C[6,6a]C[6])(O[6a]C[6a,6a])(O)	C[6,6a](C[6,6a]C[6a,6a]C[5,6])(C[6a]O[6a]O)(C[6]O[6]CH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]N[5,6])(CH3)(H){1|C<3>,1|C<4>,1|O<1>,2|O<2>}	C[6a](C[6,6a]C[6,6a]C[6])(O[6a]C[6a,6a])(O){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	116.8470	0.337	3	116.8470	0.113	3	116.8470	0.113	3	116.8470	0.113	3	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:2:4:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-2:C-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]S[6])(CCHH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|C<3>,1|S<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]S[6])(CCHH)(H){1|H<1>,1|O<2>,2|C<3>,2|O<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,1|O<2>,2|H<1>}	120.5560	0.000	1	120.5560	0.000	1	120.7645	0.087	2	121.5622	2.054	21	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:2:4:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-2:C-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6])(CCHH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]CH){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6])(CCHH)(H){1|H<1>,1|N<3>,1|S<2>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	120.9730	0.000	1	120.9730	0.000	1	120.7645	0.087	2	121.5622	2.054	21	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:2:4:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:C-4:H-1:	C[5,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[5,6a]H)(C[6]O[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(CH3)(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6,6a]C[6])(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[5,6a]H)(C[6]O[6]CH){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(CH3)(H){1|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6,6a]C[6])(H){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	122.9450	0.000	1	122.9450	0.000	1	122.9450	0.000	1	121.5622	2.054	21	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:2:4:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:C-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(CCHH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]CH){1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(CCHH)(H){1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.9970	0.000	1	120.9970	0.000	1	121.9153	1.697	15	121.5622	2.054	21	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:2:4:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:C-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(CH3)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]CH){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(CH3)(H){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	121.8195	1.395	2	121.8195	1.946	2	121.9153	1.697	15	121.5622	2.054	21	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:2:4:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:C-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(CHHS)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]CH){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(CHHS)(H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	122.0090	0.000	1	122.0090	0.000	1	121.9153	1.697	15	121.5622	2.054	21	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:2:4:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:C-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CCCH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]CH){2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CCCH)(H){1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	123.6750	0.000	1	123.6750	0.000	1	121.9153	1.697	15	121.5622	2.054	21	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:2:4:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:C-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CCHH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]CH){2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CCHH)(H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	121.5090	0.000	1	121.5090	0.000	1	121.9153	1.697	15	121.5622	2.054	21	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:2:4:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:C-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CC[6]HH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]CH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CC[6]HH)(H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	120.6127	0.272	3	120.6127	0.074	3	121.9153	1.697	15	121.5622	2.054	21	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:2:4:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:C-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CHHN)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]CH){2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CHHN)(H){1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	123.8930	0.000	1	123.8930	0.000	1	121.9153	1.697	15	121.5622	2.054	21	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:2:4:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:C-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]N[6])(CCHH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]CH){1|C<3>,1|N<3>,1|O<1>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]N[6])(CCHH)(H){1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	124.4530	0.000	1	124.4530	0.000	1	121.9153	1.697	15	121.5622	2.054	21	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:2:4:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:C-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]O[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CF3)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]O[6]CH){1|S<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CF3)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	121.3930	0.000	2	121.8763	0.701	3	121.9153	1.697	15	121.5622	2.054	21	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:2:4:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:C-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]O[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CF3)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]O[6]CH){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CF3)(H){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,1|O<2>,2|H<1>}	122.8430	0.000	1	121.8763	0.701	3	121.9153	1.697	15	121.5622	2.054	21	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:2:4:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:C-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]O[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]P[6])(CCl3)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]O[6]CH){1|Cl<1>,1|C<3>,1|H<1>,1|P<4>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]P[6])(CCl3)(H){1|H<1>,1|S<1>,2|C<3>,2|O<2>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	121.0880	0.000	1	121.0880	0.000	1	121.9153	1.697	15	121.5622	2.054	21	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:2:4:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:C-4:H-1:	C[6,6a]-3:N[6a]-3:O-1:	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]N[6a]O)(C[6]O[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CF3)(H)	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]C)(O)	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]N[6a]O)(C[6]O[6]CH){1|C<3>,1|H<1>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CF3)(H){1|C<3>,1|H<1>,1|O<1>,3|N<3>}	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]C)(O){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|N<3>}	121.1720	0.000	1	121.1720	0.000	1	121.1720	0.000	1	121.5622	2.054	21	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:2:4:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:C-4:H-1:	C[6a,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]O[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CH3)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]O[6]CH){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CH3)(H){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	119.9260	0.000	1	119.9260	0.000	1	119.9260	0.000	1	121.5622	2.054	21	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:2:4:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:S[6]-2:C-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]S[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6])(CC3)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]S[6]CH){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6])(CC3)(H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|S<2>,2|C<3>,2|H<1>}	118.5040	0.000	1	118.5040	0.000	1	118.5040	0.000	1	121.5622	2.054	21	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:2:4:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:C-4:H-1:	C[6,6a]-3:C[6,6a]-3:O-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]O)(C[6]O[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CH3)(H)	C[6a](C[6,6a]C[6,6a]C[6])2(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]O)(C[6]O[6]CH){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CH3)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])2(OH){1|H<1>,1|O<1>,1|O<2>,2|C<3>,3|C<4>}	120.2100	0.000	1	120.2100	0.000	1	120.2100	0.000	1	119.9720	0.656	3	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:2:4:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:C-4:H-1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]O[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CH3)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]O[6]CH){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CH3)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	120.6360	0.000	1	120.6360	0.000	1	120.6360	0.000	1	119.9720	0.656	3	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:2:4:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:C-4:H-1:	C[6a,6a]-3:C[6,6a]-3:O-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]O)(C[6]O[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CH3)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]O)(C[6]O[6]CH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CH3)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(OC){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	119.0700	0.000	1	119.0700	0.000	1	119.0700	0.000	1	119.9720	0.656	3	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:2:4:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]2)(C[6]O[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(CH3)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]2)(C[6]O[6]CH){7|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(CH3)(H){5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2){1|O<2>,2|C<4>,3|H<1>,6|C<3>}	122.3455	0.646	2	122.3455	0.417	2	122.3455	0.417	2	122.3455	0.417	2	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:2:4:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:C-4:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]C)(C[6]O[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(CCHH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(CH3)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]C)(C[6]O[6]CH){1|H<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(CCHH)(H){1|C<4>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(CH3){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	120.8280	0.000	1	120.8280	0.000	1	120.8280	0.000	1	120.8280	0.000	1	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:2:4:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:C-4:C-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]O[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CF3)(CC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]O[6]CC){1|Cl<1>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CF3)(CC){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H){1|C<2>,1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<2>}	122.9485	1.135	2	122.9485	1.288	2	122.9485	1.288	2	121.3013	8.783	3	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:2:4:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:C-4:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]O[6]CO)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(CCFF)(OH)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]O[6]CO){5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(CCFF)(OH){1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|C<4>,2|C<3>,3|O<2>}	118.0070	0.000	1	118.0070	0.000	1	118.0070	0.000	1	121.3013	8.783	3	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:2:4:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-2:C-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]S[6])(CCHH)(CF3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]CC){1|C<3>,1|S<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]S[6])(CCHH)(CF3){1|H<1>,1|O<2>,2|C<3>,2|O<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|O<2>,2|C<4>}	120.6520	0.000	1	120.6520	0.000	1	120.6520	0.000	1	121.2374	0.760	13	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:2:4:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:C-4:C-4:	C[5,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[5,6a]H)(C[6]O[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(CH3)2	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[5,6a]H)(C[6]O[6]CC){1|H<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(CH3)2{1|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H){2|C<3>,2|O<2>,3|C<4>}	120.0880	0.000	1	120.0880	0.000	1	120.0880	0.000	1	121.2374	0.760	13	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:2:4:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:C-4:C-4:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6,6a]H)(C[6]O[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CH3)2	C[6a](C[6,6a]C[6,6a]C[6])2(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6,6a]H)(C[6]O[6]CC){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CH3)2{1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])2(H){1|C<3>,2|N<3>,2|O<2>,4|C<4>}	121.4360	0.573	2	121.4360	0.328	2	121.4360	0.328	2	121.2374	0.760	13	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:2:4:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:C-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[5,5,6])(CH3)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]CC){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[5,5,6])(CH3)2{1|H<1>,2|C<3>,3|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,2|O<2>,3|C<4>}	121.1735	1.805	2	121.1735	3.259	2	121.3860	0.856	9	121.2374	0.760	13	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:2:4:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:C-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]O[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(CCHH)(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]O[6]CC){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(CCHH)(CH3){1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|O<2>,2|C<3>,2|C<4>}	121.4650	0.000	1	121.4650	0.000	1	121.3860	0.856	9	121.2374	0.760	13	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:2:4:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:C-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]O[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(CCHH)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]O[6]CC){1|H<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(CCHH)2{1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	122.3810	0.000	1	122.3810	0.000	1	121.3860	0.856	9	121.2374	0.760	13	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:2:4:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:C-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]O[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CBrCH)(CCHH)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]O[6]CC){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CBrCH)(CCHH){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|O<2>,2|C<4>}	122.2470	0.000	1	122.2470	0.000	1	121.3860	0.856	9	121.2374	0.760	13	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:2:4:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:C-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]O[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CCHH)(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]O[6]CC){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CCHH)(CH3){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|O<2>,2|C<4>}	121.7440	0.000	1	121.7440	0.000	1	121.3860	0.856	9	121.2374	0.760	13	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:2:4:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:C-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]O[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CHHO)(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]O[6]CC){2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CHHO)(CH3){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	121.3090	0.000	1	121.3090	0.000	1	121.3860	0.856	9	121.2374	0.760	13	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:2:4:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:C-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]Nb[6,6])(CF3)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]CC){1|Nb<5>,1|C<4>,1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]Nb[6,6])(CF3)2{1|H<1>,1|N<3>,1|O<2>,2|C<3>,2|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	120.4905	0.162	2	120.4905	0.026	2	121.3860	0.856	9	121.2374	0.760	13	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:2:4:4:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:C-4:C-4:	C[6a,6a]-3:C[6,6a]-3:N[5a]-3:	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a,6a]N[5a])(C[6]O[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(CCHH)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]2)	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a,6a]N[5a])(C[6]O[6]CC){6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(CCHH)2{1|N<2>,1|N<3>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]2){1|N<2>,1|O<2>,2|C<4>,3|H<1>,5|C<3>}	126.5760	0.000	1	126.5760	0.000	1	126.5760	0.000	1	126.5760	0.000	1	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:1:1:	3:2:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:N[6a]-2:C-3:	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]N[6a]C)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])(COO)	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]N[6a]C)(C[6]N[6]HH){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>,2|N<2>}	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])(COO){1|Cl<1>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	123.6560	0.000	1	123.6560	0.000	1	123.6560	0.000	1	124.3223	7.023	3	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:1:1:	3:2:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:N[6a]-2:C[6a]-3:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]N[6a])(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a,6a])(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]N[6a])(C[6]N[6]HH){1|C<4>,2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a,6a])(C[6a]C[6a]2){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	122.0690	0.000	1	122.0690	0.000	1	122.0690	0.000	1	124.3223	7.023	3	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:1:1:	3:2:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:N[6a]-2:N-3:	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]N[6a]N)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])(NCH)	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]N[6a]N)(C[6]N[6]HH){1|C<3>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2{2|H<1>,2|N<2>,2|N<3>}	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])(NCH){1|N<2>,2|N<3>,3|H<1>}	127.2420	0.000	1	127.2420	0.000	1	127.2420	0.000	1	124.3223	7.023	3	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[5,6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:Cl-1:	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6a]Cl)(C[6]C[6]HH)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]N[6]O)(H)2	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6a]C[6a]H)(Cl)	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6a]Cl)(C[6]C[6]HH){1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<4>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]N[6]O)(H)2{1|Cl<1>,1|C<4>,1|O<2>,2|C<3>}	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6a]C[6a]H)(Cl){1|C<4>,2|C<3>,3|H<1>}	127.6670	0.000	1	127.6670	0.000	1	127.6670	0.000	1	120.8613	4.753	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[5,6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6,6a]C[5,6,6]C[5,6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]N[6]O)(H)2	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6,6a]C[5,6,6]C[5,6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<4>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]N[6]O)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	127.7200	0.000	1	127.7200	0.000	1	127.6595	0.007	2	120.8613	4.753	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[5,6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]N[6]O)(H)2	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<4>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]N[6]O)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	127.5990	0.000	1	127.5990	0.000	1	127.6595	0.007	2	120.8613	4.753	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[5a,6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6](C[6,6a]C[5a,6,6a]C[6a])(N[6]C[6]H)(H)2	C[6a](C[6,6a]C[5a,6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(C[6]N[6]HH){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[5a,6,6a]C[6a])(N[6]C[6]H)(H)2{1|C<4>,1|H<1>,4|C<3>}	C[6a](C[6,6a]C[5a,6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,3|H<1>}	129.1040	0.000	1	129.1040	0.000	1	129.1040	0.000	1	120.8613	4.753	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6,6a]-3:H-1:H-1:	C[6a,6a]-3:C[6,6a]-3:Br-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]Br)(C[6]C[6,6a]HH)	C[6](C[6,6a]C[6,6a]C[6a])2(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(Br)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]Br)(C[6]C[6,6a]HH){1|Pd<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(H)2{1|Br<1>,1|C<4>,1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(Br){1|C<4>,3|H<1>,4|C<3>}	123.6800	0.000	1	123.6800	0.000	1	123.6800	0.000	1	120.8613	4.753	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6,6a]-3:H-1:H-1:	C[6a,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6,6a]HH)	C[6](C[6,6a]C[6,6a]C[6a])2(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6,6a]HH){1|H<1>,1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(H)2{2|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(H){3|H<1>,5|C<3>}	120.0480	0.524	4	119.9247	0.210	6	119.9247	0.210	6	120.8613	4.753	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6,6a]-3:H-1:H-1:	C[6a,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6,6a]HH)	C[6](C[6,6a]C[6,6a]C[6a])2(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6,6a]HH){3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(H)2{1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(H){1|C<4>,3|H<1>,4|C<3>}	119.6780	0.214	2	119.9247	0.210	6	119.9247	0.210	6	120.8613	4.753	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:F-1:F-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]FF)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]N)(F)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]FF){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]N)(F)2{1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,2|F<1>,3|C<3>}	119.8960	0.000	1	119.8960	0.000	1	119.8960	0.000	1	120.8613	4.753	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[5,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5,6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(H)2	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5,6a]H)(C[6]C[6]HH){1|N<3>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	120.1370	0.000	1	120.1370	0.000	1	119.9895	0.163	6	120.8613	4.753	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[5,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5,6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O)(H)2	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5,6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O)(H)2{1|H<1>,2|C<4>,3|C<3>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	119.6710	0.000	1	119.6710	0.000	1	119.9895	0.163	6	120.8613	4.753	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[5,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(H)2	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[6]HH){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(H)2{1|C<4>,1|H<1>,1|S<3>,2|C<3>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	120.0323	0.478	4	120.0323	0.228	4	119.9895	0.163	6	120.8613	4.753	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[3x6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]O)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[3x6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]O)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.4090	0.000	1	120.4090	0.000	1	120.5049	2.001	42	120.8613	4.753	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.1390	0.000	1	120.1390	0.000	1	120.5049	2.001	42	120.8613	4.753	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]O)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,1|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]O)(H)2{1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){3|C<3>,3|H<1>}	119.9380	0.373	2	119.9380	0.139	2	120.5049	2.001	42	120.8613	4.753	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<4>,2|C<3>,3|H<1>}	117.4300	0.000	1	118.0720	0.824	2	120.5049	2.001	42	120.8613	4.753	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<4>,2|C<3>,3|H<1>}	118.7140	0.000	1	118.0720	0.824	2	120.5049	2.001	42	120.8613	4.753	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]O)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]O)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	121.1800	0.000	1	121.1800	0.000	1	120.5049	2.001	42	120.8613	4.753	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]O)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]O)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.9810	0.000	1	120.9810	0.000	1	120.5049	2.001	42	120.8613	4.753	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]H)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|O<2>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	119.9290	0.000	1	119.9290	0.000	1	120.5049	2.001	42	120.8613	4.753	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	119.5233	0.328	6	119.5233	0.108	6	120.5049	2.001	42	120.8613	4.753	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|O<2>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	118.9665	0.558	2	118.9853	0.157	3	120.5049	2.001	42	120.8613	4.753	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	119.0230	0.000	1	118.9853	0.157	3	120.5049	2.001	42	120.8613	4.753	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	118.6730	0.000	1	118.6730	0.000	1	120.5049	2.001	42	120.8613	4.753	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]N)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|N<2>,1|N<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]N)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	122.4720	0.000	1	122.4720	0.000	1	120.5049	2.001	42	120.8613	4.753	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(H)2{1|H<1>,1|S<4>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){3|C<3>,3|H<1>}	118.6000	0.000	1	120.5332	1.277	13	120.5049	2.001	42	120.8613	4.753	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|N<2>,1|N<3>,1|O<1>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){3|C<3>,3|H<1>}	121.4710	0.000	1	120.5332	1.277	13	120.5049	2.001	42	120.8613	4.753	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|N<3>,2|H<1>,2|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){3|C<3>,3|H<1>}	120.7880	0.313	3	120.5332	1.277	13	120.5049	2.001	42	120.8613	4.753	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|N<3>,2|H<1>,2|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(H)2{1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){3|C<3>,3|H<1>}	120.4997	0.405	3	120.5332	1.277	13	120.5049	2.001	42	120.8613	4.753	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|N<3>,2|H<1>,2|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(H)2{1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){3|C<3>,3|H<1>}	120.2685	0.598	2	120.5332	1.277	13	120.5049	2.001	42	120.8613	4.753	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|Cl<1>,1|C<3>,1|H<1>,1|N<3>,2|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(H)2{1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){3|C<3>,3|H<1>}	118.3380	0.000	1	120.5332	1.277	13	120.5049	2.001	42	120.8613	4.753	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(H)2{1|C<4>,1|H<1>,1|S<3>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	122.0780	0.000	1	120.5332	1.277	13	120.5049	2.001	42	120.8613	4.753	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(H)2{1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	122.0450	0.000	1	120.5332	1.277	13	120.5049	2.001	42	120.8613	4.753	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]O)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,1|H<1>,1|O<1>,2|C<3>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]O)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	121.9715	0.059	2	122.2517	0.434	7	120.5049	2.001	42	120.8613	4.753	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]O)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|H<1>,1|O<1>,2|C<3>,3|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]O)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	121.0940	0.000	1	122.2517	0.434	7	120.5049	2.001	42	120.8613	4.753	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]O)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|O<1>,2|C<3>,2|H<1>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]O)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	122.6813	0.350	4	122.2517	0.434	7	120.5049	2.001	42	120.8613	4.753	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|O<2>,2|C<3>,3|H<1>}	122.9570	0.000	1	122.9570	0.000	1	120.5049	2.001	42	120.8613	4.753	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H)2{1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,3|H<1>}	121.6570	0.000	1	121.6570	0.000	1	120.5049	2.001	42	120.8613	4.753	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[5,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[5,4x6]C[6a])(C[6a]C[5,6a]H)(C[6]N[5,6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,3x6]C[5])(H)2	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H)	C[6,6a](C[6,6a]C[5,4x6]C[6a])(C[6a]C[5,6a]H)(C[6]N[5,6]HH){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,3x6]C[5])(H)2{2|C<3>,3|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H){1|C<3>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	119.5520	0.000	1	119.5520	0.000	1	118.6958	0.934	9	120.8613	4.753	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[5,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6a]C[5,6a]H)(C[6]N[5,6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6,6]C[5])(H)2	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H)	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6a]C[5,6a]H)(C[6]N[5,6]HH){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6,6]C[5])(H)2{2|C<3>,3|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H){1|C<3>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	117.4730	0.000	1	117.4730	0.000	1	118.6958	0.934	9	120.8613	4.753	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[5,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[5,6a]H)(C[6]N[5,6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,5,6]C[5])(H)2	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[5,6a]H)(C[6]N[5,6]HH){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,5,6]C[5])(H)2{2|C<3>,3|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H){1|C<3>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	119.2410	0.000	1	119.2410	0.000	1	118.6958	0.934	9	120.8613	4.753	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[5,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[5,6a]H)(C[6]N[5,6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]2)(H)2	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[5,6a]H)(C[6]N[5,6]HH){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]2)(H)2{2|C<3>,3|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H){1|C<3>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	118.8690	0.000	1	119.4783	0.279	3	118.6958	0.934	9	120.8613	4.753	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[5,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[5,6a]H)(C[6]N[5,6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]2)(H)2	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[5,6a]H)(C[6]N[5,6]HH){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]2)(H)2{2|C<4>,3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H){1|C<3>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	119.7830	0.040	2	119.4783	0.279	3	118.6958	0.934	9	120.8613	4.753	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[5,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5,6a]H)(C[6]N[5,6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6,6]C[5])(H)2	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5,6a]H)(C[6]N[5,6]HH){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6,6]C[5])(H)2{2|C<3>,3|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H){1|C<3>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	117.9260	0.000	1	117.8537	0.213	3	118.6958	0.934	9	120.8613	4.753	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[5,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5,6a]H)(C[6]N[5,6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6,6]C[5])(H)2	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5,6a]H)(C[6]N[5,6]HH){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6,6]C[5])(H)2{2|C<3>,3|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H){1|C<3>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	117.8175	0.647	2	117.8537	0.213	3	118.6958	0.934	9	120.8613	4.753	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[6a,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]N[5,6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]N[5,6]HH){1|C<4>,1|S<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<4>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	119.3450	0.000	1	119.4685	0.031	2	119.4685	0.031	2	120.8613	4.753	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[6a,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]N[5,6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]N[5,6]HH){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2{1|H<1>,1|O<1>,3|C<3>,3|C<4>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	119.5920	0.000	1	119.4685	0.031	2	119.4685	0.031	2	120.8613	4.753	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:C[5,6a]-3:H-1:	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[5,6a]H)(C[6]N[6,6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[5,6a]C[5,6a]2)(H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[5,6a]H)(C[6]N[6,6]HH){1|H<1>,2|C<4>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2{1|N<3>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[5,6a]C[5,6a]2)(H){1|C<4>,2|H<1>,2|N<3>,3|C<3>}	119.9625	0.030	2	119.9625	0.001	2	119.9625	0.001	2	120.8613	4.753	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]N[6,6])(C[6a]C[6,6a]H)(C[6]N[6,6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6,6a]C[6,6a]C[6])(H)	C[6,6a](C[6,6a]C[6a,6a]N[6,6])(C[6a]C[6,6a]H)(C[6]N[6,6]HH){2|C<4>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2{1|N<3>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6,6a]C[6,6a]C[6])(H){1|O<1>,2|C<3>,2|H<1>,3|N<3>}	119.2620	0.388	5	119.2620	0.150	5	119.2620	0.150	5	120.8613	4.753	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:C[6a,6a]-3:H-1:	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a,6a]H)(C[6]N[6,6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a,6a]2)(H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a,6a]H)(C[6]N[6,6]HH){1|H<1>,2|C<4>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2{1|N<3>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a,6a]2)(H){2|H<1>,2|N<3>,4|C<3>}	121.4857	0.389	3	121.4857	0.151	3	121.4857	0.151	3	120.8613	4.753	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6a,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]H)(C[6]N[6,6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(H)	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]H)(C[6]N[6,6]HH){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(H)2{1|N<2>,2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(H){1|C<4>,1|N<2>,1|N<3>,2|C<3>,3|H<1>}	121.3280	0.000	1	121.3280	0.000	1	121.3280	0.000	1	120.8613	4.753	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[5,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6a]C[5,6a]H)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]C)(H)2	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H)	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6a]C[5,6a]H)(C[6]N[6]HH){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]C)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H){1|C<3>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	117.7910	0.000	1	117.7910	0.000	1	117.0407	0.423	3	120.8613	4.753	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[5,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5,6a]H)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]P)(H)2	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5,6a]H)(C[6]N[6]HH){1|H<1>,1|O<2>,1|P<4>,2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]P)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H){1|C<3>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	116.6850	0.000	1	116.6850	0.000	1	117.0407	0.423	3	120.8613	4.753	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[5,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(H)2	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]N[6]HH){1|C<4>,1|H<1>,1|O<2>,1|S<4>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H){1|C<3>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	116.6460	0.000	1	116.6460	0.000	1	117.0407	0.423	3	120.8613	4.753	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a,6a]2)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]N[6]HH){1|Br<1>,1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a,6a]2)(H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	117.7260	0.000	1	117.6855	0.003	2	117.6855	0.003	2	120.8613	4.753	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a,6a]2)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]N[6]HH){1|C<4>,1|I<1>,1|S<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a,6a]2)(H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	117.6450	0.000	1	117.6855	0.003	2	117.6855	0.003	2	120.8613	4.753	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:Br-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Br)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(Br)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Br)(C[6]N[6]HH){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2{1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(Br){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	121.1430	0.000	1	121.1430	0.000	1	121.1430	0.000	1	120.8613	4.753	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[4,6]H)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]HH){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[4,6]H)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	121.1940	0.000	1	121.1940	0.000	1	121.1952	4.498	181	120.8613	4.753	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]C)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]HH){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]C)(H)2{1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,3|H<1>}	121.9060	0.000	1	121.9060	0.000	1	121.1952	4.498	181	120.8613	4.753	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]S)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]HH){1|C<4>,1|S<4>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]S)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	122.4670	0.400	4	122.4670	0.160	4	121.1952	4.498	181	120.8613	4.753	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]S)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[5,6a]H)(H)	C[6,6a](C[6,6a]C[5,6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]HH){1|C<4>,1|H<1>,1|S<4>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]S)(H)2{1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[5,6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	120.2800	0.297	2	120.2800	0.088	2	121.1952	4.498	181	120.8613	4.753	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]C)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]HH){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]C)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	119.9570	0.000	1	119.9570	0.000	1	121.1952	4.498	181	120.8613	4.753	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]S)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]HH){1|C<3>,1|C<4>,1|O<2>,1|S<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]S)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	118.2260	0.000	1	118.2260	0.000	1	121.1952	4.498	181	120.8613	4.753	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]HH){1|C<3>,1|S<4>,2|H<1>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	117.9105	0.295	2	117.9105	0.087	2	121.1952	4.498	181	120.8613	4.753	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]HH){1|C<3>,1|S<4>,2|O<2>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	115.3110	0.000	1	115.3110	0.000	1	121.1952	4.498	181	120.8613	4.753	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]B[5])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]N[6]HH){1|B<3>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]B[5])(H)2{1|H<1>,2|O<2>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,3|H<1>}	121.9760	0.129	2	121.9760	0.017	2	121.1952	4.498	181	120.8613	4.753	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]N[6]HH){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C)(H)2{1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,3|H<1>}	122.8992	0.617	5	122.8992	0.380	5	121.1952	4.498	181	120.8613	4.753	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]N[6]HH){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C)(H)2{1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	122.6353	1.055	3	122.6353	1.112	3	121.1952	4.498	181	120.8613	4.753	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]S)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]N[6]HH){1|S<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]S)(H)2{1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,3|H<1>}	123.3000	0.000	1	121.5147	1.460	4	121.1952	4.498	181	120.8613	4.753	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]S)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]N[6]HH){1|S<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]S)(H)2{1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,3|H<1>}	120.9197	0.255	3	121.5147	1.460	4	121.1952	4.498	181	120.8613	4.753	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]C)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|C<2>,1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]C)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	117.4690	0.000	2	117.4690	0.000	2	121.1952	4.498	181	120.8613	4.753	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]B[5]C[6])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH){2|B<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]B[5]C[6])(H)2{2|H<1>,2|O<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,3|H<1>}	121.5700	0.000	1	121.5700	0.000	1	121.1952	4.498	181	120.8613	4.753	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]C[6a])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]C[6a])(H)2{1|C<4>,1|H<1>,1|N<3>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,3|H<1>}	120.3210	0.000	1	120.5470	0.102	2	121.1952	4.498	181	120.8613	4.753	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]C[6a])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]C[6a])(H)2{1|C<4>,1|H<1>,1|O<2>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,3|H<1>}	120.7730	0.000	1	120.5470	0.102	2	121.1952	4.498	181	120.8613	4.753	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5]C[6])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5]C[6])(H)2{2|C<3>,3|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	118.8185	0.366	4	119.6072	3.210	5	121.1952	4.498	181	120.8613	4.753	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5]C[6])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5]C[6])(H)2{1|C<4>,1|N<2>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	122.7620	0.000	1	119.6072	3.210	5	121.1952	4.498	181	120.8613	4.753	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]C)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]C)(H)2{1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	123.8580	0.000	1	123.8580	0.000	1	121.1952	4.498	181	120.8613	4.753	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]2)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]2)(H)2{2|C<3>,3|H<1>,4|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	119.0480	0.000	1	119.0480	0.000	1	121.1952	4.498	181	120.8613	4.753	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	119.7580	0.000	1	120.2275	5.094	23	121.1952	4.498	181	120.8613	4.753	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	119.4350	0.000	1	120.2275	5.094	23	121.1952	4.498	181	120.8613	4.753	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	119.9113	0.277	3	120.2275	5.094	23	121.1952	4.498	181	120.8613	4.753	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.0530	0.000	1	120.2275	5.094	23	121.1952	4.498	181	120.8613	4.753	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|C<4>,1|F<1>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	118.7320	0.000	1	120.2275	5.094	23	121.1952	4.498	181	120.8613	4.753	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	117.9415	1.279	6	120.2275	5.094	23	121.1952	4.498	181	120.8613	4.753	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	123.2043	1.226	4	120.2275	5.094	23	121.1952	4.498	181	120.8613	4.753	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	119.2890	0.000	1	120.2275	5.094	23	121.1952	4.498	181	120.8613	4.753	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2{3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,3|H<1>}	119.1530	0.000	1	120.2275	5.094	23	121.1952	4.498	181	120.8613	4.753	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	119.2090	0.000	1	120.2275	5.094	23	121.1952	4.498	181	120.8613	4.753	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2{1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,3|H<1>}	122.5420	0.000	1	120.2275	5.094	23	121.1952	4.498	181	120.8613	4.753	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH){3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2{1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,3|H<1>}	123.4310	0.219	2	120.2275	5.094	23	121.1952	4.498	181	120.8613	4.753	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	119.5325	0.855	2	119.4568	3.907	5	121.1952	4.498	181	120.8613	4.753	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	117.3220	0.000	1	119.4568	3.907	5	121.1952	4.498	181	120.8613	4.753	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	122.4930	0.000	1	119.4568	3.907	5	121.1952	4.498	181	120.8613	4.753	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2{2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	118.4040	0.000	1	119.4568	3.907	5	121.1952	4.498	181	120.8613	4.753	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|C<3>,1|C<4>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.3475	0.451	6	120.1124	0.335	8	121.1952	4.498	181	120.8613	4.753	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|C<3>,1|C<4>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	119.4070	0.028	2	120.1124	0.335	8	121.1952	4.498	181	120.8613	4.753	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]Mg)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|Mg<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]Mg)(H)2{2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,3|H<1>}	122.8105	0.213	2	122.8105	0.045	2	121.1952	4.498	181	120.8613	4.753	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]N)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|C<3>,1|C<4>,1|N<2>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]N)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	118.7750	0.000	1	118.7750	0.000	1	121.1952	4.498	181	120.8613	4.753	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|C<2>,1|C<3>,1|C<4>,1|S<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(H)2{3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,3|H<1>}	119.4480	0.000	1	119.2197	4.324	7	121.1952	4.498	181	120.8613	4.753	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|C<3>,1|C<4>,1|S<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	118.8180	0.470	3	119.2197	4.324	7	121.1952	4.498	181	120.8613	4.753	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|C<3>,1|C<4>,1|S<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.8010	3.898	2	119.2197	4.324	7	121.1952	4.498	181	120.8613	4.753	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|C<3>,1|O<2>,1|S<4>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	117.0340	0.000	1	119.2197	4.324	7	121.1952	4.498	181	120.8613	4.753	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(H)2{1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	118.8540	0.000	1	120.7964	4.371	5	121.1952	4.498	181	120.8613	4.753	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(H)2{1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	118.2020	0.000	1	120.7964	4.371	5	121.1952	4.498	181	120.8613	4.753	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(H)2{1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	122.1725	0.088	2	120.7964	4.371	5	121.1952	4.498	181	120.8613	4.753	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH){3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(H)2{1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	122.5810	0.000	1	120.7964	4.371	5	121.1952	4.498	181	120.8613	4.753	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[3]C[6])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[3]C[6])(H)2{1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|N<3>,3|H<1>}	121.5330	0.000	1	121.5330	0.000	1	121.1952	4.498	181	120.8613	4.753	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]2)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]HH){2|Br<1>,1|C<3>,1|H<1>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]2)(H)2{1|N<3>,2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H){1|C<3>,2|N<3>,3|H<1>}	121.3550	0.000	1	121.3550	0.000	1	121.1952	4.498	181	120.8613	4.753	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]2)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]HH){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]2)(H)2{1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|N<3>,3|H<1>}	120.5860	0.000	1	120.5860	0.000	1	121.1952	4.498	181	120.8613	4.753	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|Ru<9>,1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2{1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|N<3>,3|H<1>}	117.7700	0.000	1	119.0670	2.482	3	121.1952	4.498	181	120.8613	4.753	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]HH){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2{1|Rh<6>,1|H<1>,1|N<3>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|N<3>,3|H<1>}	118.6110	0.000	1	119.0670	2.482	3	121.1952	4.498	181	120.8613	4.753	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]HH){3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2{1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|N<3>,3|H<1>}	120.8200	0.000	1	119.0670	2.482	3	121.1952	4.498	181	120.8613	4.753	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|C<3>,1|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(H)2{1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|N<3>,3|H<1>}	121.9700	0.000	1	122.9982	4.352	4	121.1952	4.498	181	120.8613	4.753	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]HH){2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(H)2{1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,3|H<1>}	124.7275	0.333	2	122.9982	4.352	4	121.1952	4.498	181	120.8613	4.753	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]HH){2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(H)2{1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|N<3>,3|H<1>}	120.5680	0.000	1	122.9982	4.352	4	121.1952	4.498	181	120.8613	4.753	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|C<3>,1|C<4>,1|S<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(H)2{1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|N<3>,3|H<1>}	120.4363	0.492	3	120.4363	0.242	3	121.1952	4.498	181	120.8613	4.753	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(H)2{1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|C<3>,1|N<2>,1|N<3>,3|H<1>}	119.7730	0.000	1	119.6340	0.385	3	121.1952	4.498	181	120.8613	4.753	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(H)2{1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|C<3>,1|N<2>,1|N<3>,3|H<1>}	119.5645	0.861	2	119.6340	0.385	3	121.1952	4.498	181	120.8613	4.753	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|Cl<1>,1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(H)2{1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H){1|C<3>,1|N<2>,1|N<3>,3|H<1>}	119.9560	0.000	1	120.8945	1.762	2	121.1952	4.498	181	120.8613	4.753	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|Cl<1>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(H)2{1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H){1|C<3>,2|N<3>,3|H<1>}	121.8330	0.000	1	120.8945	1.762	2	121.1952	4.498	181	120.8613	4.753	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]HH){3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(H)2{1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|N<3>,3|H<1>}	122.5860	0.000	1	122.5860	0.000	1	121.1952	4.498	181	120.8613	4.753	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|Br<1>,1|C<3>,1|H<1>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2{1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H){1|C<3>,1|N<3>,1|O<2>,3|H<1>}	122.0300	0.264	2	122.0300	0.070	2	121.1952	4.498	181	120.8613	4.753	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|C<3>,1|H<1>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2{1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|C<3>,1|N<3>,1|O<2>,3|H<1>}	122.0643	0.675	6	121.6106	1.031	8	121.1952	4.498	181	120.8613	4.753	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|C<3>,4|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2{1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|C<3>,1|N<3>,1|O<2>,3|H<1>}	120.2495	0.023	2	121.6106	1.031	8	121.1952	4.498	181	120.8613	4.753	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|Cl<1>,1|C<3>,1|H<1>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2{1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H){1|C<3>,1|N<3>,1|O<2>,3|H<1>}	125.1460	0.000	1	125.1460	0.000	1	121.1952	4.498	181	120.8613	4.753	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]F)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|C<3>,1|F<1>,1|H<1>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2{1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]F)(H){1|C<3>,1|N<3>,1|O<2>,3|H<1>}	121.1240	0.000	1	121.1240	0.000	1	121.1952	4.498	181	120.8613	4.753	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2{1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,1|O<2>,3|H<1>}	122.1820	0.356	2	122.3460	0.372	6	121.1952	4.498	181	120.8613	4.753	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2{1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,1|O<2>,3|H<1>}	122.5450	1.175	2	122.3460	0.372	6	121.1952	4.498	181	120.8613	4.753	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,1|O<2>,3|H<1>}	122.3110	0.467	2	122.3460	0.372	6	121.1952	4.498	181	120.8613	4.753	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]I)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|C<3>,1|H<1>,1|I<1>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2{1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]I)(H){1|C<3>,1|N<3>,1|O<2>,3|H<1>}	122.1130	0.000	1	122.1130	0.000	1	121.1952	4.498	181	120.8613	4.753	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N)(H){1|C<3>,1|N<3>,1|O<2>,3|H<1>}	122.4520	0.000	1	122.4520	0.000	1	121.1952	4.498	181	120.8613	4.753	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2{1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|N<3>,1|O<2>,3|H<1>}	122.1900	0.000	1	122.1900	0.000	1	121.1952	4.498	181	120.8613	4.753	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(H)2{1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)(H){1|N<3>,1|O<2>,3|C<3>,3|H<1>}	124.4696	0.853	12	124.4696	0.728	12	121.1952	4.498	181	120.8613	4.753	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HH){2|C<3>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(H)2{1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|C<3>,1|N<3>,1|O<2>,3|H<1>}	120.8670	0.099	2	120.8670	0.010	2	121.1952	4.498	181	120.8613	4.753	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(H)2{1|O<2>,2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,1|O<2>,3|H<1>}	122.6780	0.000	1	122.1695	0.517	2	121.1952	4.498	181	120.8613	4.753	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(H)2{1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,1|O<2>,3|H<1>}	121.6610	0.000	1	122.1695	0.517	2	121.1952	4.498	181	120.8613	4.753	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]P[6])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|Br<1>,1|H<1>,1|P<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]P[6])(H)2{1|H<1>,1|O<2>,1|S<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H){1|C<3>,1|N<3>,1|O<2>,3|H<1>}	125.5010	0.000	1	125.5010	0.000	1	121.1952	4.498	181	120.8613	4.753	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]P[6])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|P<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]P[6])(H)2{1|H<1>,1|N<2>,1|O<1>,1|O<2>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,1|O<2>,3|H<1>}	123.4220	0.000	1	122.2170	1.090	3	121.1952	4.498	181	120.8613	4.753	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]P[6])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|P<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]P[6])(H)2{1|H<1>,1|N<2>,1|O<1>,2|O<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,1|O<2>,3|H<1>}	121.5780	0.000	1	122.2170	1.090	3	121.1952	4.498	181	120.8613	4.753	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]P[6])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|P<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]P[6])(H)2{1|H<1>,1|O<1>,2|O<2>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,1|O<2>,3|H<1>}	121.6510	0.000	1	122.2170	1.090	3	121.1952	4.498	181	120.8613	4.753	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]P[6,6]C)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|C<3>,1|C<4>,1|P<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]P[6,6]C)(H)2{1|H<1>,1|O<2>,2|C<3>,2|N<2>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,1|O<2>,3|H<1>}	121.7791	1.782	14	121.7791	3.174	14	121.1952	4.498	181	120.8613	4.753	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]P[6,6]C[6a])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|P<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]P[6,6]C[6a])(H)2{1|H<1>,1|O<2>,3|C<3>,3|N<2>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,1|O<2>,3|H<1>}	121.0490	0.663	2	121.0490	0.440	2	121.1952	4.498	181	120.8613	4.753	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]P[6]C)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|P<4>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]P[6]C)(H)2{1|H<1>,1|O<1>,2|C<3>,2|O<2>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H){1|C<3>,1|N<3>,1|O<2>,3|H<1>}	122.1320	0.000	1	122.1320	0.000	1	121.1952	4.498	181	120.8613	4.753	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]P[6]C)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|C<3>,1|C<4>,1|P<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]P[6]C)(H)2{1|H<1>,1|O<2>,2|C<3>,2|N<2>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,1|O<2>,3|H<1>}	124.3350	0.000	1	124.3350	0.000	1	121.1952	4.498	181	120.8613	4.753	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]P[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]Ge[6])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]P[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|Ge<3>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]Ge[6])(H)2{1|Cl<1>,1|H<1>,1|P<4>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,1|P<4>,3|H<1>}	114.1900	0.000	1	114.1900	0.000	1	121.1952	4.498	181	120.8613	4.753	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2{1|H<1>,1|S<1>,1|S<2>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,1|S<2>,3|H<1>}	122.4640	0.000	1	122.4640	0.000	1	121.1952	4.498	181	120.8613	4.753	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]C)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]HH){1|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]C)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|N<3>,3|H<1>}	122.4030	0.000	1	122.4030	0.000	1	121.1952	4.498	181	120.8613	4.753	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]C[6a])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]HH){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]C[6a])(H)2{1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|N<3>,3|H<1>}	121.3845	1.073	2	121.3845	1.151	2	121.1952	4.498	181	120.8613	4.753	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]C)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]HH){1|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]C)(H)2{1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|N<3>,3|H<1>}	120.2370	0.000	1	120.2370	0.000	1	121.1952	4.498	181	120.8613	4.753	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]C[6a])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]HH){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]C[6a])(H)2{1|N<3>,2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|N<3>,3|H<1>}	119.1000	0.000	1	119.1000	0.000	1	121.1952	4.498	181	120.8613	4.753	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]P[3x6]C[6a])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]Nb[3x6]C[6a])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]P[3x6]C[6a])(C[6a]C[6a]H)(C[6]N[6]HH){1|Nb<5>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]Nb[3x6]C[6a])(H)2{1|H<1>,1|N<2>,1|P<4>,2|N<3>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,1|P<4>,3|H<1>}	121.4967	0.159	3	121.4000	0.214	6	121.1952	4.498	181	120.8613	4.753	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]P[3x6]C[6a])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]Nb[3x6]C[6a])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]P[3x6]C[6a])(C[6a]C[6a]H)(C[6]N[6]HH){1|Nb<6>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]Nb[3x6]C[6a])(H)2{1|H<1>,1|N<2>,1|P<4>,3|N<3>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,1|P<4>,3|H<1>}	121.3033	0.694	3	121.4000	0.214	6	121.1952	4.498	181	120.8613	4.753	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6a,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]H)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]H)(C[6]N[6]HH){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C)(H)2{1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(H){1|N<3>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	120.5150	0.460	2	120.5150	0.211	2	119.4226	1.901	7	120.8613	4.753	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6a,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]H)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]S)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]H)(C[6]N[6]HH){1|S<4>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]S)(H)2{1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(H){1|N<3>,3|H<1>,4|C<3>}	121.3650	0.000	1	121.3650	0.000	1	119.4226	1.901	7	120.8613	4.753	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6a,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]N[6]HH){1|Br<1>,1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>,3|C<3>}	117.7590	0.000	1	118.3907	0.258	4	119.4226	1.901	7	120.8613	4.753	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6a,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]N[6]HH){1|Br<1>,1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	118.6013	0.347	3	118.3907	0.258	4	119.4226	1.901	7	120.8613	4.753	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:S[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]S[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]O)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]S[6]HH){2|C<3>,2|H<1>,2|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]O)(H)2{1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|S<3>,2|C<3>,2|H<1>}	119.9960	0.000	1	119.9960	0.000	1	120.8510	1.462	2	120.8613	4.753	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:S[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]S[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(S[6]S[6]O)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]S[6]HH){1|C<3>,1|O<1>,1|S<2>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(S[6]S[6]O)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|S<3>,3|H<1>}	121.7060	0.000	1	121.7060	0.000	1	120.8510	1.462	2	120.8613	4.753	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	N[6]-3:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]P[5,6,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6](N[6]Nb[3,5,6,6]C[6a])(C[6,6a]C[6,6a]C[6a])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]P[5,6,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]HH){1|Nb<6>,2|H<1>,4|C<3>}	C[6](N[6]Nb[3,5,6,6]C[6a])(C[6,6a]C[6,6a]C[6a])(H)2{1|H<1>,1|P<4>,2|C<4>,2|N<3>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,1|P<4>,3|H<1>}	119.9580	1.554	2	119.9580	2.416	2	118.9213	4.539	4	120.8613	4.753	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	N[6]-3:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]P[5,6,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6](N[6]Nb[3x3,5,6,6]C[6a])(C[6,6a]C[6,6a]C[6a])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]P[5,6,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]HH){1|Nb<8>,2|H<1>,4|C<3>}	C[6](N[6]Nb[3x3,5,6,6]C[6a])(C[6,6a]C[6,6a]C[6a])(H)2{1|C<4>,1|H<1>,1|P<4>,1|S<5>,2|N<3>,2|O<2>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,1|P<4>,3|H<1>}	117.8845	2.627	2	117.8845	6.901	2	118.9213	4.539	4	120.8613	4.753	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:1:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH){3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OH){1|C<4>,2|C<3>,3|H<1>}	119.0685	0.296	2	119.0685	0.088	2	119.6945	5.182	6	119.8428	5.276	9	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:1:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH){3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH){1|C<4>,2|C<3>,3|H<1>}	117.0970	0.000	1	117.0970	0.000	1	119.6945	5.182	6	119.8428	5.276	9	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:1:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC){1|C<4>,2|C<3>,3|H<1>}	118.4310	0.000	1	118.4310	0.000	1	119.6945	5.182	6	119.8428	5.276	9	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:1:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]O)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH){1|O<1>,2|C<3>,2|H<1>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]O)(H)2{1|C<4>,1|O<2>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC){1|C<4>,2|C<3>,3|H<1>}	123.5970	0.000	1	123.5970	0.000	1	119.6945	5.182	6	119.8428	5.276	9	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:1:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]O)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]O)(C[6]C[6]HH){1|C<2>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)2{1|N<3>,1|O<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|N<3>,2|C<3>,3|H<1>}	120.9050	0.000	1	120.9050	0.000	1	119.6945	5.182	6	119.8428	5.276	9	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:1:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]O)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5a,6]C)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]O)(C[6]N[6]HH){1|S<2>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5a,6]C)(H)2{1|O<2>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|N<3>,2|C<3>,3|H<1>}	120.3820	0.000	1	120.3820	0.000	1	120.1393	7.952	3	119.8428	5.276	9	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:1:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]O)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]O)(C[6]N[6]HH){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C)(H)2{1|O<2>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC){1|N<3>,2|C<3>,3|H<1>}	122.8300	0.000	1	122.8300	0.000	1	120.1393	7.952	3	119.8428	5.276	9	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:1:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]N[6]HH){1|C<3>,1|C<4>,1|O<2>,1|S<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	117.2060	0.000	1	117.2060	0.000	1	120.1393	7.952	3	119.8428	5.276	9	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:1:1:	3:3:3:	C[6,6a,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]C)(H)2	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a,6a]C[6a])(C[6]C[6]HH){1|C<4>,7|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]C)(H)2{1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){5|H<1>,7|C<3>}	119.5380	0.000	1	119.5380	0.000	1	119.5380	0.000	1	120.6908	4.916	14	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6,6a]-3:H-1:H-1:	C[6a,6a]-3:C[6,6a]-3:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]C)(C[6]C[6,6a]HH)	C[6](C[6,6a]C[6,6a]C[6a])2(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(CC[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]C)(C[6]C[6,6a]HH){1|O<1>,1|O<2>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(H)2{1|H<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(CC[6a]O){3|H<1>,5|C<3>}	120.2860	0.000	1	120.2860	0.000	1	120.2860	0.000	1	120.6908	4.916	14	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CC[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]HH){1|O<2>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CC[6a]O){1|C<4>,2|C<3>,3|H<1>}	121.4850	0.000	1	121.4850	0.000	1	121.4850	0.000	1	120.6908	4.916	14	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-3:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]C)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]H)(CC[6a]O)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]C)(C[6]N[6]HH){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]H)(CC[6a]O){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	117.3617	0.567	3	117.3617	0.322	3	117.3617	0.322	3	120.6908	4.916	14	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]2)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]H)(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]2)(C[6]N[6]HH){1|S<4>,2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(H)2{1|C<4>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]H)(C[6a]C[6a]2){1|N<3>,4|H<1>,5|C<3>}	121.3220	0.000	1	121.3220	0.000	1	121.0390	0.160	2	120.6908	4.916	14	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]2)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)(C[6a]C[6a]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]2)(C[6]N[6]HH){2|C<2>,2|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)(C[6a]C[6a]C){1|C<4>,2|N<3>,3|C<3>,4|H<1>}	120.7560	0.000	1	120.7560	0.000	1	121.0390	0.160	2	120.6908	4.916	14	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:1:1:	3:3:3:	C[6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6,6a]-3:H-1:H-1:	C[6a,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]HH)	C[6](C[6,6a]C[6,6a]C[6a])2(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)	C[6,6a](C[6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]HH){2|H<1>,7|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(H)2{1|C<4>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2){1|C<4>,5|H<1>,6|C<3>}	123.2802	0.454	4	123.2802	0.206	4	123.2802	0.206	4	120.6908	4.916	14	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:1:1:	3:3:3:	C[6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[5a,6a]-3:C[6,6a]-3:C[5a]-3:	C[6,6a](C[6a]C[5a,6a]C[5a])(C[6,6a]N[6a]C[6])(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6,6a]C[6,6a]C[6])(C[5a]C[5a]S[5a])	C[6,6a](C[6a]C[5a,6a]C[5a])(C[6,6a]N[6a]C[6])(C[6]N[6]HH){1|S<2>,2|C<4>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2{1|N<2>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6,6a]C[6,6a]C[6])(C[5a]C[5a]S[5a]){1|C<4>,2|N<2>,2|N<3>,3|C<3>,3|H<1>}	120.5390	0.000	2	120.5390	0.000	2	120.5390	0.000	2	120.6908	4.916	14	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6,6]-3:H-1:H-1:	C[5,6a]-3:C[6,6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[5,6a]C)(C[6]C[6,6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H)2	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(CH3)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[5,6a]C)(C[6]C[6,6]HH){1|C<4>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H)2{1|O<1>,1|O<2>,2|C<3>,3|C<4>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(CH3){1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	119.5880	0.000	1	119.5880	0.000	1	119.5880	0.000	1	120.4566	4.336	5	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6,6a]-3:H-1:H-1:	C[5a,6a]-3:C[6,6a]-3:C-4:	C[6,6a](C[6,6a]N[6a]O[6])(C[6a]C[5a,6a]C)(C[6]C[6,6a]HH)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(H)2	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6,6a]C[6,6a]C[6])(CCHH)	C[6,6a](C[6,6a]N[6a]O[6])(C[6a]C[5a,6a]C)(C[6]C[6,6a]HH){4|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(H)2{1|C<4>,1|N<2>,1|O<2>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6,6a]C[6,6a]C[6])(CCHH){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>,2|N<2>}	121.4740	0.184	2	121.4740	0.034	2	121.4740	0.034	2	120.4566	4.336	5	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]C)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CH3)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]C)(C[6]C[6]HH){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(H)2{2|C<4>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CH3){1|C<4>,2|C<3>,3|H<1>}	117.2460	0.000	1	117.2460	0.000	1	119.8735	13.808	2	120.4566	4.336	5	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CN[6]CH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]HH){2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CN[6]CH){3|C<3>,3|H<1>}	122.5010	0.000	1	122.5010	0.000	1	119.8735	13.808	2	120.4566	4.336	5	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:2:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6,6a]-3:S-2:H-1:	C[6a,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6,6a]HS)	C[6](C[6,6a]C[6,6a]C[6a])2(SC)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6,6a]HS){1|S<2>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(SC)(H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(H){1|C<4>,1|S<2>,2|H<1>,4|C<3>}	120.8443	0.321	4	120.8443	0.103	4	120.8443	0.103	4	120.4598	3.882	36	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:2:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:N-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HN)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(NS)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HN){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(NS)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<2>,1|O<2>,2|C<3>,2|H<1>}	121.7220	0.000	1	121.7220	0.000	1	121.7220	0.000	1	120.4598	3.882	36	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:2:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:O-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(OC[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|N<2>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(OC[6a])(H){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	124.7260	0.000	1	124.7260	0.000	1	123.2448	3.830	5	120.4598	3.882	36	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:2:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:O-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]O)(OH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<3>,1|O<1>,1|O<2>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]O)(OH)(H){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	123.6290	0.257	2	123.6290	0.066	2	123.2448	3.830	5	120.4598	3.882	36	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:2:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:O-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(OH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(OH)(H){1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){2|C<3>,2|H<1>,2|O<2>}	119.8580	0.000	1	122.1200	10.233	2	123.2448	3.830	5	120.4598	3.882	36	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:2:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:O-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(OH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HO){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(OH)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){2|C<3>,2|H<1>,2|O<2>}	124.3820	0.000	1	122.1200	10.233	2	123.2448	3.830	5	120.4598	3.882	36	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:2:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:S-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HS)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(SC)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HS){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(SC)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|O<2>,1|S<2>,2|C<3>,2|H<1>}	122.3280	0.000	1	122.3280	0.000	1	122.1405	0.070	2	120.4598	3.882	36	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:2:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:S-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HS)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(SC)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HS){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(SC)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,1|S<2>,2|C<3>,2|H<1>}	121.9530	0.000	1	121.9530	0.000	1	122.1405	0.070	2	120.4598	3.882	36	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:2:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:C-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CN)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CN)(H){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	118.3950	0.000	1	118.3950	0.000	1	119.3025	3.212	14	120.4598	3.882	36	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:2:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:C-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CN)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CN)(H){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<2>,1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<2>}	118.2970	0.000	1	117.9895	0.137	4	119.3025	3.212	14	120.4598	3.882	36	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:2:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:C-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CN)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CN)(H){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<2>,1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<2>}	117.8870	0.378	3	117.9895	0.137	4	119.3025	3.212	14	120.4598	3.882	36	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:2:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:C-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CN)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CN)(H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	118.5102	0.530	4	118.5102	0.281	4	119.3025	3.212	14	120.4598	3.882	36	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:2:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:C-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CN)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CN)(H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<2>,1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<2>}	118.2220	0.000	1	118.2220	0.000	1	119.3025	3.212	14	120.4598	3.882	36	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:2:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:C-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CC)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]CH){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CC)(H){1|H<1>,1|N<2>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,1|N<2>,1|N<3>,2|H<1>}	122.3520	0.424	2	122.3520	0.180	2	119.3025	3.212	14	120.4598	3.882	36	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:2:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:C-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]Si[6])(CN)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|Si<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]Si[6])(CN)(H){1|H<1>,2|O<2>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,1|N<3>,1|O<2>,2|H<1>}	122.1800	0.000	1	122.1800	0.000	1	119.3025	3.212	14	120.4598	3.882	36	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:2:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:C-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]S[6]H)(CC)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|Br<1>,1|C<3>,1|S<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]S[6]H)(CC)(H){1|H<1>,1|O<2>,2|C<3>,2|O<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H){1|C<2>,1|C<3>,1|N<3>,1|O<2>,2|H<1>}	120.7350	0.000	1	120.7350	0.000	1	119.3025	3.212	14	120.4598	3.882	36	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:2:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:C-2:H-1:	C[6a,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]H)(C[6]N[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C)(CN)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]H)(C[6]N[6]CH){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C)(CN)(H){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(H){1|C<2>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,3|C<3>}	122.8290	0.000	1	122.8290	0.000	1	122.8290	0.000	1	120.4598	3.882	36	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:2:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:O-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]C)(OH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HO){1|C<4>,2|C<3>,2|H<1>,2|N<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]C)(OH)(H){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	120.1320	0.000	1	120.1320	0.000	1	119.7648	0.387	9	120.4598	3.882	36	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:2:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:O-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(OC)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HO){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(OC)(H){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|O<2>}	119.7540	0.000	1	119.7540	0.000	1	119.7648	0.387	9	120.4598	3.882	36	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:2:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:O-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]N)(OC[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HO){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]N)(OC[6a])(H){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	118.3950	0.000	1	118.3950	0.000	1	119.7648	0.387	9	120.4598	3.882	36	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:2:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:O-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(OC)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HO){1|S<4>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(OC)(H){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	120.5130	0.000	1	120.5130	0.000	1	119.7648	0.387	9	120.4598	3.882	36	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:2:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:O-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(OC)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]HO){2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(OC)(H){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|H<1>,2|N<3>}	119.7500	0.000	1	119.7500	0.000	1	119.7648	0.387	9	120.4598	3.882	36	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:2:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:O-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]S[6]C)(OC)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HO){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]S[6]C)(OC)(H){1|H<1>,1|O<2>,2|C<3>,2|O<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|C<3>,1|N<3>,2|H<1>,2|O<2>}	119.8347	0.412	4	119.8347	0.169	4	119.7648	0.387	9	120.4598	3.882	36	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:2:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:S-2:H-1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HS)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(SC)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HS){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(SC)(H){1|O<2>,2|C<3>,2|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,1|O<2>,1|S<2>,2|C<3>}	120.9245	0.629	2	120.9245	0.395	2	120.9245	0.395	2	120.9245	0.395	2	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:2:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:O[6]-2:H-1:	C[6a,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a,6a]C[6a])(C[6]C[6a]O[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6,6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a,6a]C[6a])(C[6]C[6a]O[6]H){8|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|N<2>,2|H<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2){1|N<2>,1|O<2>,4|H<1>,6|C<3>}	120.6930	0.000	1	120.6930	0.000	1	120.6930	0.000	1	121.0485	0.253	2	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:2:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:O-2:H-1:	C[6,6a]-3:C[6a]-3:N-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(C[6]N[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(OH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(NOO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(C[6]N[6]HO){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(OH)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(NOO){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|O<2>}	121.4040	0.000	1	121.4040	0.000	1	121.4040	0.000	1	121.0485	0.253	2	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:2:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:C-2:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]N[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CN)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CCHH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]N[6]CH){3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CN)(H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CCHH){1|C<2>,1|N<3>,2|C<3>,2|H<1>}	121.6530	0.000	1	121.6530	0.000	1	121.6530	0.000	1	121.6530	0.000	1	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:2:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6,6a]-3:C-2:O-2:	C[6a,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6,6a]CO)	C[6](C[6,6a]C[6,6a]C[6a])2(CC)(OH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6,6a]CO){1|H<1>,1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CC)(OH){2|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(H){1|C<2>,1|H<1>,1|O<2>,5|C<3>}	118.6100	0.139	2	118.6100	0.019	2	118.6100	0.019	2	118.7197	1.756	9	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:2:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C-2:C-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CN)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|H<1>,1|O<2>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CN)2{1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|H<1>,2|C<2>,3|C<3>}	121.2070	0.000	1	121.2070	0.000	1	121.2070	0.000	1	118.7197	1.756	9	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:2:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C-2:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CC)(OH)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CO){1|C<2>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CC)(OH){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<2>,1|C<4>,1|H<1>,1|O<2>,2|C<3>}	118.5652	0.398	4	118.5652	0.158	4	118.5652	0.158	4	118.7197	1.756	9	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:2:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:O-2:O-2:	C[5a,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5a,6a]H)(C[6]C[6]OO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(OC)2	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6,6a]C[6,6a]C[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5a,6a]H)(C[6]C[6]OO){1|H<1>,1|O<1>,2|C<3>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(OC)2{2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6,6a]C[6,6a]C[6])(H){1|N<2>,2|O<2>,4|C<3>}	116.1790	0.000	1	116.1790	0.000	1	116.1790	0.000	1	118.7197	1.756	9	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:2:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:O-2:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]OO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O)(OC)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]OO){1|O<1>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O)(OC)2{1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,2|O<2>,3|C<3>}	119.6100	0.000	1	119.6100	0.000	1	119.6100	0.000	1	118.7197	1.756	9	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:2:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:O-2:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(OC[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CO){1|O<1>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(OC[6a])(CH3){2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	120.9860	0.000	1	120.9860	0.000	1	120.9860	0.000	1	120.9860	0.000	1	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:3:1:	3:2:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C-3:H-1:	C[6,6a]-3:O[6a]-2:O-1:	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6a]O[6a]O)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(COO)(H)	C[6a](C[6,6a]C[6,6a]C[6])(O[6a]C[6a,6a])(O)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6a]O[6a]O)(C[6]C[6]CH){4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(COO)(H){1|C<3>,1|N<3>,1|O<1>,2|O<2>}	C[6a](C[6,6a]C[6,6a]C[6])(O[6a]C[6a,6a])(O){1|H<1>,1|O<2>,4|C<3>}	117.3600	0.000	1	117.3600	0.000	1	117.3600	0.000	1	117.3600	0.000	1	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[5a,6]-3:C[6,6a]-3:C-3:H-1:	C[6a,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]N[6a]O[6])(C[6a]C[6a,6a]H)(C[6]C[5a,6]CH)	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(CCC)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(H)	C[6,6a](C[6,6a]N[6a]O[6])(C[6a]C[6a,6a]H)(C[6]C[5a,6]CH){4|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(CCC)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|N<2>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(H){1|N<2>,1|O<2>,2|H<1>,4|C<3>}	121.0760	0.000	1	121.0760	0.000	1	121.0760	0.000	1	120.8426	4.095	39	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(CC[6]P[6])(C[6]O[6]O)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(CC[6]P[6])(C[6]O[6]O)(H){1|H<1>,1|N<3>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H){1|N<3>,2|H<1>,3|C<3>}	126.4030	0.000	1	126.4030	0.000	1	126.4030	0.000	1	120.8426	4.095	39	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C-3:H-1:	C[5,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[5,6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCH)(H)	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[5,6a]H)(C[6]C[6]CH){1|C<2>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCH)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H){1|C<4>,1|H<1>,2|O<2>,3|C<3>}	119.8395	0.091	2	119.8395	0.008	2	119.8395	0.008	2	120.8426	4.095	39	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|O<2>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCH)(H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	123.5820	0.000	1	123.5820	0.000	1	122.4817	15.696	3	120.8426	4.095	39	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CN[5]O)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CN[5]O)(H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	118.0860	0.000	1	118.0860	0.000	1	122.4817	15.696	3	120.8426	4.095	39	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]O)(CC[6]P)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]O)(CC[6]P)(H){1|H<1>,1|N<3>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|H<1>,3|C<3>}	125.7770	0.000	1	125.7770	0.000	1	122.4817	15.696	3	120.8426	4.095	39	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C-3:H-1:	C[6,6a]-3:N[6a]-3:O-1:	C[6,6a](C[6,6a]N[6a]O[6])(C[6a]N[6a]O)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(COO)(H)	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]C)(O)	C[6,6a](C[6,6a]N[6a]O[6])(C[6a]N[6a]O)(C[6]C[6]CH){2|C<4>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(COO)(H){1|O<1>,1|O<2>,3|N<3>}	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]C)(O){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	119.6730	0.000	1	119.6730	0.000	1	119.6730	0.000	1	120.8426	4.095	39	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:N-3:F-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]FN)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]O)(NSS)(F)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]FN){1|C<3>,1|O<1>,1|O<2>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]O)(NSS)(F){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|F<1>,1|H<1>,1|N<3>,2|C<3>}	123.9160	0.000	1	123.9160	0.000	1	123.9160	0.000	1	120.8426	4.095	39	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:N-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HN)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(NC[6a]H)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HN){3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(NC[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	118.9540	0.000	1	118.9540	0.000	1	120.7027	5.188	7	120.8426	4.095	39	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:N-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HN)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(NCC)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HN){1|N<3>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(NCC)(H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	118.6320	0.335	2	118.6320	0.112	2	120.7027	5.188	7	120.8426	4.095	39	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:N-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HN)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(NCS)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HN){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(NCS)(H){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	123.7980	0.000	1	123.7980	0.000	1	120.7027	5.188	7	120.8426	4.095	39	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:N-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HN)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(NC[6a]S)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HN){1|N<2>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(NC[6a]S)(H){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	123.5650	0.000	1	123.5650	0.000	1	120.7027	5.188	7	120.8426	4.095	39	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:N-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HN)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(NHS)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HN){1|C<2>,1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(NHS)(H){1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	119.7730	0.000	1	119.7730	0.000	1	120.7027	5.188	7	120.8426	4.095	39	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:N-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HN)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S)(NCH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HN){1|S<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S)(NCH)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	121.5650	0.000	1	121.5650	0.000	1	120.7027	5.188	7	120.8426	4.095	39	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:C-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C)(CNO)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]N[6]CH){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C)(CNO)(H){1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|H<1>,3|C<3>}	121.6830	0.000	1	121.6830	0.000	1	120.2771	2.058	14	120.8426	4.095	39	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:C-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CCN)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|Br<1>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CCN)(H){2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|H<1>,3|C<3>}	117.8150	0.000	1	117.8150	0.000	1	120.2771	2.058	14	120.8426	4.095	39	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:C-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CNO)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CNO)(H){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	118.8190	0.000	1	118.5705	0.124	2	120.2771	2.058	14	120.8426	4.095	39	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:C-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CNO)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CNO)(H){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	118.3220	0.000	1	118.5705	0.124	2	120.2771	2.058	14	120.8426	4.095	39	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:C-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CNP)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH){3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CNP)(H){2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|F<1>,1|H<1>,1|N<3>,3|C<3>}	121.3650	0.000	1	121.3650	0.000	1	120.2771	2.058	14	120.8426	4.095	39	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:C-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]O)(CNO)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]O)(CNO)(H){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	120.1800	0.000	1	120.1800	0.000	1	120.2771	2.058	14	120.8426	4.095	39	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:C-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(CCH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|S<4>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(CCH)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	120.4990	0.000	1	120.4990	0.000	1	120.2771	2.058	14	120.8426	4.095	39	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:C-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CCC)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|Cl<1>,1|C<4>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CCC)(H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	121.2950	0.000	1	121.2950	0.000	1	120.2771	2.058	14	120.8426	4.095	39	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:C-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CNO)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CNO)(H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	120.3540	0.000	1	120.3540	0.000	1	120.2771	2.058	14	120.8426	4.095	39	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:C-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(CCH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|S<4>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(CCH)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	123.1710	0.000	1	123.1710	0.000	1	120.2771	2.058	14	120.8426	4.095	39	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:C-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]S[6]H)(CCH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|C<3>,1|S<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]S[6]H)(CCH)(H){1|H<1>,1|O<2>,2|C<3>,2|O<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	120.0940	0.813	4	120.0940	0.660	4	120.2771	2.058	14	120.8426	4.095	39	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:N-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HN)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]N)(NCN)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HN){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]N)(NCN)(H){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|N<3>}	120.6620	0.000	1	120.6620	0.000	1	120.6524	1.192	9	120.8426	4.095	39	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:N-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HN)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]N)(NC[6a]S)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HN){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]N)(NC[6a]S)(H){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|N<3>}	118.4420	0.000	1	118.4420	0.000	1	120.6524	1.192	9	120.8426	4.095	39	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:N-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HN)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(NC[6a]N)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HN){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(NC[6a]N)(H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|N<3>}	119.7270	0.000	1	119.7270	0.000	1	120.6524	1.192	9	120.8426	4.095	39	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:N-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HN)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]N[6])(NHN)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HN){1|N<2>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]N[6])(NHN)(H){1|H<1>,1|N<2>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){2|C<3>,2|H<1>,2|N<3>}	121.2690	0.000	1	121.2690	0.000	1	120.6524	1.192	9	120.8426	4.095	39	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:N-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HN)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6]C)(NCN)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HN){1|N<2>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6]C)(NCN)(H){1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){2|C<3>,2|H<1>,2|N<3>}	120.4030	0.000	1	120.4030	0.000	1	120.6524	1.192	9	120.8426	4.095	39	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:N-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]HN)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(NCH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]HN){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(NCH)(H){1|H<1>,1|N<2>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,2|H<1>,2|N<3>}	121.6885	0.138	2	121.6885	0.019	2	120.6524	1.192	9	120.8426	4.095	39	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:N-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HN)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(NCH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HN){2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(NCH)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|H<1>,2|N<3>}	121.6860	0.000	1	121.6860	0.000	1	120.6524	1.192	9	120.8426	4.095	39	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:N-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HN)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(NCS)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HN){1|C<3>,1|C<4>,1|S<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(NCS)(H){1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|H<1>,2|N<3>}	120.3060	0.000	1	120.3060	0.000	1	120.6524	1.192	9	120.8426	4.095	39	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:3:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]2H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2)(C[6]C[6]H)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]2H){4|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2)(C[6]C[6]H)(H){3|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)(C[6a]C[6a]H){4|H<1>,6|C<3>}	125.7795	0.110	2	125.7795	0.012	2	125.7795	0.012	2	125.7795	0.012	2	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCO)(OC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CO){3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCO)(OC){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	122.5590	0.000	1	122.5590	0.000	1	122.1905	0.272	2	122.6615	0.424	4	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(COO)(OH)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CO){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(COO)(OH){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){3|C<3>,3|O<2>}	121.8220	0.000	1	121.8220	0.000	1	122.1905	0.272	2	122.6615	0.424	4	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:C-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]CO)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CN[6]O)(OH)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]CO){3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CN[6]O)(OH){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|N<3>}	123.1325	0.337	2	123.1325	0.114	2	123.1325	0.114	2	122.6615	0.424	4	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:C-3:C-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(COO)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]CC){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(COO)2{1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N)(H){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	121.5190	0.000	1	121.5190	0.000	1	121.5190	0.000	1	121.5190	0.000	1	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C[6]-3:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2)(C[6]C[6]O)(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2C){1|O<1>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2)(C[6]C[6]O)(CH3){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,4|C<3>}	120.5290	0.578	2	120.5290	0.335	2	120.5290	0.335	2	121.0573	1.005	3	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:O-3:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]CO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]N)(OAl2)(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]CO){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]N)(OAl2)(CH3){1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<3>,3|C<3>}	122.1140	0.000	1	122.1140	0.000	1	122.1140	0.000	1	121.0573	1.005	3	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:4:1:	3:3:1:	C[5,6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]N[6]O)(CCHH)(H)	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<4>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]N[6]O)(CCHH)(H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	126.7550	0.392	3	126.7550	0.154	3	126.7550	0.154	3	121.1172	4.269	115	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:4:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(CCl2C)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(CCl2C)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	119.7170	0.000	1	119.7170	0.000	1	121.4582	2.384	36	121.1172	4.269	115	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:4:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCCH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CH){3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCCH)(H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	120.0610	0.000	1	120.0610	0.000	1	121.4582	2.384	36	121.1172	4.269	115	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:4:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCCH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|N<3>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCCH)(H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	119.7110	0.269	3	119.7110	0.073	3	121.4582	2.384	36	121.1172	4.269	115	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:4:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCHH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|N<3>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCHH)(H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	119.0165	0.145	2	119.0165	0.021	2	121.4582	2.384	36	121.1172	4.269	115	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:4:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CC[6a]CH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|N<3>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CC[6a]CH)(H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	118.8140	0.000	1	118.8140	0.000	1	121.4582	2.384	36	121.1172	4.269	115	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:4:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(CC[5a]HH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|C<4>,1|N<2>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(CC[5a]HH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	121.3270	0.000	1	121.3270	0.000	1	121.4582	2.384	36	121.1172	4.269	115	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:4:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(CCHH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(CCHH)(H){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	123.5870	0.000	2	123.5870	0.000	2	121.4582	2.384	36	121.1172	4.269	115	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:4:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CH3)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|N<2>,2|H<1>,2|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CH3)(H){1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	119.9220	0.000	1	122.9257	6.776	3	121.4582	2.384	36	121.1172	4.269	115	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:4:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CH3)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|N<3>,1|O<1>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CH3)(H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	124.4275	0.136	2	122.9257	6.776	3	121.4582	2.384	36	121.1172	4.269	115	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:4:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]O)(CCHH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|O<1>,1|O<2>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]O)(CCHH)(H){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	124.0620	0.000	1	124.0620	0.000	1	121.4582	2.384	36	121.1172	4.269	115	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:4:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCHH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|Cl<1>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCHH)(H){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	123.3280	0.000	1	123.3280	0.000	1	121.4582	2.384	36	121.1172	4.269	115	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:4:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CC[6a]CN)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CC[6a]CN)(H){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	121.6550	0.154	2	121.6550	0.024	2	121.4582	2.384	36	121.1172	4.269	115	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:4:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCHH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCHH)(H){1|C<2>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	120.8713	0.368	3	120.8713	0.136	3	121.4582	2.384	36	121.1172	4.269	115	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:4:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCCH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|Br<1>,1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCCH)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	121.6960	0.000	1	121.4370	0.134	2	121.4582	2.384	36	121.1172	4.269	115	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:4:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCCH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH){2|Br<1>,1|C<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCCH)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	121.1780	0.000	1	121.4370	0.134	2	121.4582	2.384	36	121.1172	4.269	115	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:4:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCCH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|Cl<1>,1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCCH)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	121.2500	0.000	1	121.2500	0.000	1	121.4582	2.384	36	121.1172	4.269	115	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:4:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCCH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCCH)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	123.0570	0.000	1	122.6290	0.366	2	121.4582	2.384	36	121.1172	4.269	115	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:4:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCCH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCCH)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	122.2010	0.000	1	122.6290	0.366	2	121.4582	2.384	36	121.1172	4.269	115	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:4:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCCH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|H<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCCH)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	121.2250	0.000	1	121.2250	0.000	1	121.4582	2.384	36	121.1172	4.269	115	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:4:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCHH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCHH)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	122.4990	0.000	1	121.9437	0.242	3	121.4582	2.384	36	121.1172	4.269	115	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:4:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCHH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCHH)(H){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	121.6660	0.148	2	121.9437	0.242	3	121.4582	2.384	36	121.1172	4.269	115	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:4:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCHO)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|H<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCHO)(H){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	122.4970	0.000	1	122.4970	0.000	1	121.4582	2.384	36	121.1172	4.269	115	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:4:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CHHN)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|Br<1>,1|C<2>,1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CHHN)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.6050	0.293	2	121.3917	1.899	3	121.4582	2.384	36	121.1172	4.269	115	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:4:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CHHN)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|Br<1>,1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CHHN)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	122.9650	0.000	1	121.3917	1.899	3	121.4582	2.384	36	121.1172	4.269	115	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:4:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(CHHN)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH){2|Cl<1>,1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(CHHN)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	121.5450	0.000	1	121.5450	0.000	1	121.4582	2.384	36	121.1172	4.269	115	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:4:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(CHHN)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(CHHN)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	121.4900	0.000	1	121.4900	0.000	1	121.4582	2.384	36	121.1172	4.269	115	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:4:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C-4:O-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CCCN)(O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CO){1|C<3>,1|N<3>,2|H<1>,2|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CCCN)(O){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	120.7090	0.000	1	120.7090	0.000	1	120.7090	0.000	1	121.1172	4.269	115	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:4:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6])(C[6]C[6]HH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2H){1|C<4>,1|O<2>,3|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6])(C[6]C[6]HH)(H){2|C<4>,4|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	118.9390	0.000	1	118.9390	0.000	1	118.2025	1.085	2	121.1172	4.269	115	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:4:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6])(C[6]C[6]HS)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2H){1|S<4>,3|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6])(C[6]C[6]HS)(H){1|C<4>,4|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	117.4660	0.000	1	117.4660	0.000	1	118.2025	1.085	2	121.1172	4.269	115	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:4:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:I-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]I)(C[6]C[6]2H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6])(C[6]C[6]HH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(I)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]I)(C[6]C[6]2H){1|C<4>,1|O<2>,3|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6])(C[6]C[6]HH)(H){2|C<4>,2|H<1>,2|I<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(I){2|C<3>,2|C<4>,2|H<1>}	121.1180	0.000	1	121.1180	0.000	1	121.1180	0.000	1	121.1172	4.269	115	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:4:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:S-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HS)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]O)(SC[6a]OO)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HS){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]O)(SC[6a]OO)(H){1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	120.5000	0.000	1	120.5000	0.000	1	120.5000	0.000	1	121.1172	4.269	115	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:4:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6,6]-3:C-4:H-1:	C[6a,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]H)(C[6]N[6,6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(CH3)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(H)	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]H)(C[6]N[6,6]CH){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(CH3)(H){1|N<2>,2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(H){1|N<2>,1|N<3>,2|C<3>,2|C<4>,2|H<1>}	121.3170	0.000	1	121.3170	0.000	1	121.3170	0.000	1	121.1172	4.269	115	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:4:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6,6a]-3:C[5a,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5a,6a]H)(C[6]N[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CH3)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[5a,6a]C[5a,6a]2)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5a,6a]H)(C[6]N[6]CH){2|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CH3)(H){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[5a,6a]C[5a,6a]2)(H){1|H<1>,2|C<4>,2|N<3>,3|C<3>}	117.9600	0.000	1	117.9600	0.000	1	117.9600	0.000	1	121.1172	4.269	115	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:4:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]C)(CCHH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]CH){1|Br<1>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]C)(CCHH)(H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	119.6480	0.000	1	119.6480	0.000	1	120.7972	3.913	68	121.1172	4.269	115	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:4:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]C)(CCHH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]CH){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]C)(CCHH)(H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	122.3210	0.000	1	122.3210	0.000	1	120.7972	3.913	68	121.1172	4.269	115	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:4:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C)(CCHH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]N[6]CH){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C)(CCHH)(H){1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	121.1850	0.000	1	121.1850	0.000	1	120.7972	3.913	68	121.1172	4.269	115	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:4:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C[6a])(CCHH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]N[6]CH){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C[6a])(CCHH)(H){1|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	121.3940	0.000	1	121.3940	0.000	1	120.7972	3.913	68	121.1172	4.269	115	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:4:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]N)(CCHH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]N[6]CH){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]N)(CCHH)(H){1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	123.6520	0.000	1	123.6520	0.000	1	120.7972	3.913	68	121.1172	4.269	115	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:4:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]S)(CH3)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]N[6]CH){1|H<1>,1|O<2>,1|S<4>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]S)(CH3)(H){1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	120.3390	0.000	1	120.3390	0.000	1	120.7972	3.913	68	121.1172	4.269	115	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:4:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CCCH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CCCH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	120.2580	0.000	1	120.2580	0.000	1	120.7972	3.913	68	121.1172	4.269	115	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:4:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CCHH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CCHH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	119.3790	0.000	1	120.1795	2.781	4	120.7972	3.913	68	121.1172	4.269	115	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:4:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CCHH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CCHH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	118.2390	0.000	1	120.1795	2.781	4	120.7972	3.913	68	121.1172	4.269	115	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:4:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CCHH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CCHH)(H){2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	121.2510	0.000	1	120.1795	2.781	4	120.7972	3.913	68	121.1172	4.269	115	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:4:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CCHH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH){3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CCHH)(H){1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	121.8490	0.000	1	120.1795	2.781	4	120.7972	3.913	68	121.1172	4.269	115	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:4:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CCHH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CCHH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	117.5093	0.713	3	117.5093	0.508	3	120.7972	3.913	68	121.1172	4.269	115	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:4:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CC[6a]CH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CC[6a]CH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	119.3430	0.000	1	119.3430	0.000	1	120.7972	3.913	68	121.1172	4.269	115	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:4:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CC[6a]HH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CC[6a]HH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	119.7190	0.351	2	119.7190	0.123	2	120.7972	3.913	68	121.1172	4.269	115	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:4:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CC[6a]HH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CC[6a]HH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	120.0113	0.134	3	119.3014	1.033	5	120.7972	3.913	68	121.1172	4.269	115	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:4:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CC[6a]HH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CC[6a]HH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	118.2365	0.564	2	119.3014	1.033	5	120.7972	3.913	68	121.1172	4.269	115	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:4:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CH3)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CH3)(H){2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	120.0550	0.000	1	120.0550	0.000	1	120.7972	3.913	68	121.1172	4.269	115	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:4:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CH3)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CH3)(H){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	117.9950	0.000	1	117.9950	0.000	1	120.7972	3.913	68	121.1172	4.269	115	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:4:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CHHO)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|C<4>,1|H<1>,1|S<2>,2|C<3>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CHHO)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	119.4470	1.059	2	118.8813	1.521	3	120.7972	3.913	68	121.1172	4.269	115	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:4:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CHHO)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CHHO)(H){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	117.7500	0.000	1	118.8813	1.521	3	120.7972	3.913	68	121.1172	4.269	115	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:4:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(CH3)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(CH3)(H){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	120.4590	0.000	1	120.4590	0.000	1	120.7972	3.913	68	121.1172	4.269	115	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:4:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(CHHO)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(CHHO)(H){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	119.5515	1.795	2	119.5515	3.223	2	120.7972	3.913	68	121.1172	4.269	115	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:4:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]N)(CCHH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]N)(CCHH)(H){2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	121.1060	0.000	1	121.1060	0.000	1	120.7972	3.913	68	121.1172	4.269	115	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:4:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]N)(CCHN)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]N)(CCHN)(H){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	118.3760	0.000	1	118.3760	0.000	1	120.7972	3.913	68	121.1172	4.269	115	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:4:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]N)(CC[6a]CH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|Cl<1>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]N)(CC[6a]CH)(H){1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	122.2990	0.000	1	122.2990	0.000	1	120.7972	3.913	68	121.1172	4.269	115	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:4:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]O)(CCHO)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]O)(CCHO)(H){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	121.7030	0.000	1	121.7030	0.000	1	120.7972	3.913	68	121.1172	4.269	115	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:4:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(CCCH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|C<3>,1|C<4>,1|O<1>,1|S<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(CCCH)(H){3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	120.9900	0.000	1	120.9900	0.000	1	120.7972	3.913	68	121.1172	4.269	115	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:4:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(CCHH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(CCHH)(H){3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	120.8710	0.000	1	120.1900	0.928	2	120.7972	3.913	68	121.1172	4.269	115	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:4:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(CCHH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|O<1>,1|S<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(CCHH)(H){1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	119.5090	0.000	1	120.1900	0.928	2	120.7972	3.913	68	121.1172	4.269	115	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:4:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(CC[6a]HH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|C<3>,1|C<4>,1|O<2>,1|S<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(CC[6a]HH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	118.3610	0.000	1	118.3610	0.000	1	120.7972	3.913	68	121.1172	4.269	115	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:4:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(CH3)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|C<2>,1|C<3>,1|C<4>,1|S<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(CH3)(H){3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	119.3820	0.000	1	120.2965	1.673	2	120.7972	3.913	68	121.1172	4.269	115	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:4:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(CH3)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|S<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(CH3)(H){2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	121.2110	0.000	1	120.2965	1.673	2	120.7972	3.913	68	121.1172	4.269	115	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:4:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CCFF)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CCFF)(H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	120.0510	0.000	1	120.0510	0.000	1	120.7972	3.913	68	121.1172	4.269	115	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:4:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CCHH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]F)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|F<1>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CCHH)(H){1|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]F)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	123.0050	0.000	1	123.0050	0.000	1	120.7972	3.913	68	121.1172	4.269	115	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:4:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CC[5a]HH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CC[5a]HH)(H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	119.2070	0.000	1	119.2070	0.000	1	120.7972	3.913	68	121.1172	4.269	115	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:4:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CC[6a]CH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CC[6a]CH)(H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	121.5427	1.070	3	121.5427	1.146	3	120.7972	3.913	68	121.1172	4.269	115	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:4:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CCl3)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CCl3)(H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	120.6450	0.000	1	120.6450	0.000	1	120.7972	3.913	68	121.1172	4.269	115	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:4:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6]C)(CCHH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6]C)(CCHH)(H){1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	122.9350	0.000	1	122.9350	0.000	1	120.7972	3.913	68	121.1172	4.269	115	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:4:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6]C)(CC[6a]HH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|C<3>,1|C<4>,1|N<2>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6]C)(CC[6a]HH)(H){1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	123.2830	0.000	1	123.2830	0.000	1	120.7972	3.913	68	121.1172	4.269	115	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:4:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6]S)(CCHH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|N<2>,1|S<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6]S)(CCHH)(H){1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	122.6020	0.000	1	122.6020	0.000	1	120.7972	3.913	68	121.1172	4.269	115	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:4:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CCCH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]CH){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CCCH)(H){1|Ir<6>,1|H<1>,1|N<3>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|N<3>}	123.7680	1.928	2	123.7680	3.716	2	120.7972	3.913	68	121.1172	4.269	115	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:4:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CCHH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]CH){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CCHH)(H){1|H<1>,1|N<2>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	124.4195	0.613	2	123.7653	0.716	7	120.7972	3.913	68	121.1172	4.269	115	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:4:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CCHH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]CH){3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CCHH)(H){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|N<3>}	123.2635	0.373	2	123.7653	0.716	7	120.7972	3.913	68	121.1172	4.269	115	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:4:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CCHH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]CH){3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CCHH)(H){1|H<1>,1|N<3>,1|S<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|N<3>}	123.0635	0.480	2	123.7653	0.716	7	120.7972	3.913	68	121.1172	4.269	115	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:4:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CCHH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]CH){3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CCHH)(H){1|H<1>,1|N<3>,1|S<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,2|N<3>}	124.8640	0.000	1	123.7653	0.716	7	120.7972	3.913	68	121.1172	4.269	115	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:4:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CCHH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]CH){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CCHH)(H){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	121.4550	0.000	1	121.4550	0.000	1	120.7972	3.913	68	121.1172	4.269	115	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:4:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]Si[6])(CCHH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|Si<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]Si[6])(CCHH)(H){1|H<1>,2|O<2>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	122.9470	0.000	1	122.9470	0.000	1	120.7972	3.913	68	121.1172	4.269	115	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:4:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]P[6]S)(CH3)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|Cl<1>,1|C<3>,1|H<1>,1|P<4>,1|S<4>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]P[6]S)(CH3)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	122.4630	0.000	1	122.4630	0.000	1	120.7972	3.913	68	121.1172	4.269	115	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:4:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]S[6]H)(CCHH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|Cl<1>,1|C<3>,1|S<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]S[6]H)(CCHH)(H){1|H<1>,1|O<2>,2|C<3>,2|O<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	119.3450	0.734	2	119.3450	0.539	2	120.7972	3.913	68	121.1172	4.269	115	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:4:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]S[6]H)(CCHH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|C<3>,1|S<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]S[6]H)(CCHH)(H){1|H<1>,1|O<2>,2|C<3>,2|O<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	120.1730	0.000	1	120.1730	0.000	1	120.7972	3.913	68	121.1172	4.269	115	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:4:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]S[6]H)(CHHO)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|C<3>,1|S<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]S[6]H)(CHHO)(H){1|H<1>,1|O<2>,2|C<3>,2|O<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|O<2>}	119.5900	0.000	1	119.5900	0.000	1	120.7972	3.913	68	121.1172	4.269	115	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:4:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(CCCH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|S<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(CCCH)(H){1|H<1>,1|S<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|S<2>,2|H<1>}	119.4650	0.000	1	119.4650	0.000	1	120.7972	3.913	68	121.1172	4.269	115	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:4:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CCHH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CCHH)(H){1|H<1>,1|N<2>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	123.7840	0.000	1	123.7840	0.000	1	120.7972	3.913	68	121.1172	4.269	115	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:4:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:P-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]HP)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(PO3)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]HP){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(PO3)(H){1|H<1>,1|N<2>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,1|P<4>,2|H<1>}	123.4990	0.000	1	123.4990	0.000	1	123.4990	0.000	1	121.1172	4.269	115	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:4:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6,6]-3:C-4:H-1:	C[6,6a]-3:C[6,6a]-3:O-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6,6a]O)(C[6]C[6,6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(CCCH)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6,6a]C[6,6a]C[6])(OH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6,6a]O)(C[6]C[6,6]CH){1|C<4>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(CCCH)(H){1|O<1>,2|C<3>,2|C<4>,2|O<2>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6,6a]C[6,6a]C[6])(OH){2|C<3>,2|H<1>,2|O<2>,3|C<4>}	122.7160	0.000	1	122.7160	0.000	1	122.7160	0.000	1	120.3652	2.741	6	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:4:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]CH){3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){2|C<3>,2|C<4>,2|H<1>}	119.0100	0.000	1	119.0100	0.000	1	118.9975	0.000	2	120.3652	2.741	6	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:4:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCHH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]CH){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCHH)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC){2|C<3>,2|C<4>,2|H<1>}	118.9850	0.000	1	118.9850	0.000	1	118.9975	0.000	2	120.3652	2.741	6	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:4:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]O)(C[6]N[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C)(CC[6]HH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]O)(C[6]N[6]CH){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C)(CC[6]HH)(H){1|O<2>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	122.1420	0.000	1	122.1420	0.000	1	120.4933	2.194	3	120.3652	2.741	6	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:4:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]N[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CC[6a]HH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC[6a])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]N[6]CH){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CC[6a]HH)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC[6a]){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	119.6690	0.557	2	119.6690	0.310	2	120.4933	2.194	3	120.3652	2.741	6	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:4:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]O)(CCHH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)(C[6a]C[6a]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]CH){1|C<4>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]O)(CCHH)(H){1|C<4>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)(C[6a]C[6a]C){2|C<4>,4|C<3>,4|H<1>}	122.4930	0.000	1	122.4930	0.000	1	122.4930	0.000	1	122.4930	0.000	1	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:4:2:	3:3:1:	C[5,6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C-4:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6,6a]C[3,5,6]C[5,6a])(C[6a]C[6a]H)(C[6]C[6]CO)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[3,6]O)(CCHH)(OH)	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6,6a]C[3,5,6]C[5,6a])(C[6a]C[6a]H)(C[6]C[6]CO){1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[3,6]O)(CCHH)(OH){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	123.6600	0.000	1	123.6600	0.000	1	123.6600	0.000	1	120.3141	2.084	27	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:4:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C-4:O-2:	C[5,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[6]CO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]O)(CCHH)(OC)	C[6a](C[5,6a]N[5,6a]C[5,5])(C[6,6a]C[6,6a]C[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[6]CO){1|C<4>,1|N<3>,1|O<2>,2|H<1>,2|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]O)(CCHH)(OC){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5,6a]N[5,6a]C[5,5])(C[6,6a]C[6,6a]C[6])(H){2|C<3>,3|O<2>,4|C<4>}	120.1960	0.000	1	120.1960	0.000	1	120.8610	0.213	4	120.3141	2.084	27	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:4:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C-4:O-2:	C[5,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[6]CO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]O)(CCHH)(OH)	C[6a](C[5,6a]C[5,6a]N[5,6a])(C[6,6a]C[6,6a]C[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[6]CO){1|C<3>,1|N<3>,1|O<2>,2|H<1>,2|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]O)(CCHH)(OH){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5,6a]C[5,6a]N[5,6a])(C[6,6a]C[6,6a]C[6])(H){1|N<2>,1|O<2>,3|C<3>,3|C<4>}	121.2330	0.000	1	121.2330	0.000	1	120.8610	0.213	4	120.3141	2.084	27	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:4:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C-4:O-2:	C[5,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[6]CO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]O)(CCHH)(OH)	C[6a](C[5,6a]N[5,6a]C[5,6])(C[6,6a]C[6,6a]C[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[6]CO){1|C<3>,1|N<3>,1|O<2>,2|H<1>,2|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]O)(CCHH)(OH){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[5,6a]N[5,6a]C[5,6])(C[6,6a]C[6,6a]C[6])(H){1|N<3>,1|O<2>,3|C<3>,3|C<4>}	121.0075	0.122	2	121.0075	0.015	2	120.8610	0.213	4	120.3141	2.084	27	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:4:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C-4:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]CO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(CCCH)(OGe)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]CO){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(CCCH)(OGe){1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	119.3250	0.000	1	119.3250	0.000	1	120.3073	1.397	15	120.3141	2.084	27	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:4:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C-4:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]CO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(CCHH)(OH)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]CO){1|O<1>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(CCHH)(OH){1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	119.3035	0.214	2	119.3035	0.046	2	120.3073	1.397	15	120.3141	2.084	27	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:4:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C-4:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]CO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(CCHN)(OH)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]CO){1|O<1>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(CCHN)(OH){1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	119.4820	0.000	1	119.4820	0.000	1	120.3073	1.397	15	120.3141	2.084	27	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:4:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C-4:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]CO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(CC[5a]HH)(OH)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]CO){1|O<1>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(CC[5a]HH)(OH){1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	119.8970	0.000	1	119.8970	0.000	1	120.3073	1.397	15	120.3141	2.084	27	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:4:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C-4:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3)(OC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CO){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3)(OC){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	118.5130	0.000	1	118.5130	0.000	1	120.3073	1.397	15	120.3141	2.084	27	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:4:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C-4:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3)(OH)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CO){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3)(OH){2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|O<2>,3|C<3>}	120.4000	0.096	2	120.4000	0.009	2	120.3073	1.397	15	120.3141	2.084	27	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:4:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C-4:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3)(OH)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CO){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3)(OH){2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|O<2>,2|C<4>,3|C<3>}	119.1880	0.000	1	119.1880	0.000	1	120.3073	1.397	15	120.3141	2.084	27	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:4:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C-4:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CCHH)(OC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CO){1|C<3>,1|N<3>,2|H<1>,2|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CCHH)(OC){1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	122.2610	0.433	2	122.2610	0.187	2	120.3073	1.397	15	120.3141	2.084	27	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:4:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C-4:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CC[5a]HH)(OH)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CO){1|C<3>,1|N<3>,2|H<1>,2|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CC[5a]HH)(OH){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	120.5690	0.194	2	120.5690	0.038	2	120.3073	1.397	15	120.3141	2.084	27	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:4:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C-4:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CC[6a]HH)(OC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CO){1|C<3>,1|N<3>,2|H<1>,2|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CC[6a]HH)(OC){1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	121.5685	0.062	2	121.5685	0.004	2	120.3073	1.397	15	120.3141	2.084	27	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:4:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:C-4:C-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CCCH)(CN)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CC){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CCCH)(CN){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<2>,1|C<3>,1|N<3>,1|O<2>,2|C<4>}	118.6945	0.095	2	118.6945	0.009	2	119.4898	4.081	5	120.3141	2.084	27	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:4:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:C-4:C-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CC[6a]CH)(CN)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CC){3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CC[6a]CH)(CN){2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<2>,1|C<4>,1|H<1>,1|N<3>,2|C<3>}	122.9330	0.000	1	122.9330	0.000	1	119.4898	4.081	5	120.3141	2.084	27	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:4:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:C-4:C-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CH3)(CN)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CC){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CH3)(CN){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<2>,1|C<3>,1|N<3>,1|O<2>,2|C<4>}	118.5635	1.216	2	118.5635	1.477	2	119.4898	4.081	5	120.3141	2.084	27	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:4:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:C-4:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]CO)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(CF3)(OC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]CO){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(CF3)(OC){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>,2|N<3>}	119.6600	1.007	2	119.6600	1.014	2	119.6600	1.014	2	120.3141	2.084	27	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:4:3:	3:2:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C-4:C-3:	C[6,6a]-3:O[6a]-2:O-1:	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6a]O[6a]O)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCHH)(COO)	C[6a](C[6,6a]C[6,6a]C[6])(O[6a]C[6a,6a])(O)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6a]O[6a]O)(C[6]C[6]CC){1|C<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCHH)(COO){1|C<3>,1|N<2>,1|O<1>,2|O<2>}	C[6a](C[6,6a]C[6,6a]C[6])(O[6a]C[6a,6a])(O){1|C<4>,1|O<2>,4|C<3>}	117.5180	0.000	1	117.9865	0.439	2	117.9865	0.439	2	117.9865	0.439	2	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:4:3:	3:2:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C-4:C-3:	C[6,6a]-3:O[6a]-2:O-1:	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6a]O[6a]O)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCHH)(COO)	C[6a](C[6,6a]C[6,6a]C[6])(O[6a]C[6a,6a])(O)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6a]O[6a]O)(C[6]C[6]CC){1|C<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCHH)(COO){1|C<3>,1|N<3>,1|O<1>,2|O<2>}	C[6a](C[6,6a]C[6,6a]C[6])(O[6a]C[6a,6a])(O){1|C<4>,1|O<2>,4|C<3>}	118.4550	0.000	1	117.9865	0.439	2	117.9865	0.439	2	117.9865	0.439	2	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:4:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C-4:C-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)(COO)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)(COO){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	118.4455	0.409	2	118.4455	0.168	2	120.0720	2.712	5	120.0976	1.536	9	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:4:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C-4:C-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCHH)(COO)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|O<1>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCHH)(COO){2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,4|C<3>}	120.0420	0.000	1	120.0420	0.000	1	120.0720	2.712	5	120.0976	1.536	9	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:4:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C-4:C-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3)(CCH)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|O<1>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3)(CCH){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,4|C<3>}	121.7135	0.033	2	121.7135	0.001	2	120.0720	2.712	5	120.0976	1.536	9	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:4:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C-4:N-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CN)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CC[6a]HH)(NCN)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CN){1|C<3>,1|N<3>,2|H<1>,2|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CC[6a]HH)(NCN){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	120.4555	0.629	2	120.4555	0.395	2	120.4555	0.395	2	120.0976	1.536	9	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:4:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:C-4:C-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(CHHS)(COO)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CC){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(CHHS)(COO){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|N<3>,1|O<2>,2|C<3>,2|C<4>}	119.2520	0.000	1	119.2520	0.000	1	119.8035	0.608	2	120.0976	1.536	9	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:4:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:C-4:C-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(CF3)(CCH)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]CC){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(CF3)(CCH){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	120.3550	0.000	1	120.3550	0.000	1	119.8035	0.608	2	120.0976	1.536	9	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:4:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6,6]-3:C-4:C-4:	C[6a,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6,6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6])(CCHH)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6,6]CC){1|O<1>,2|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6])(CCHH)2{1|C<4>,1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(H){3|C<4>,5|C<3>}	120.6440	0.000	1	120.6440	0.000	1	120.6440	0.000	1	120.1742	2.081	58	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:4:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:C[5a,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[5a,6a]H)(C[6]C[6,6a]CC)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C[6a](C[6,6a]C[6,6a]C[6])(C[5a,6a]C[5a,6a]2)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[5a,6a]H)(C[6]C[6,6a]CC){1|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[5a,6a]C[5a,6a]2)(H){2|C<4>,2|N<3>,4|C<3>}	122.7030	0.000	1	122.7030	0.000	1	122.7030	0.000	1	120.1742	2.081	58	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:4:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C-4:C-4:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3)2	C[6a](C[6,6a]C[6,6a]C[6])2(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]H)(C[6]C[6]CC){1|C<4>,1|O<1>,2|C<3>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3)2{1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])2(H){2|H<1>,3|C<3>,4|C<4>}	119.6620	0.000	1	119.6620	0.000	1	119.6620	0.000	1	120.1742	2.081	58	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:4:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]O)(CCHH)(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CC){1|C<3>,1|N<2>,1|N<3>,1|O<1>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]O)(CCHH)(CH3){1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	120.1055	0.548	2	119.7338	0.518	6	120.1557	1.964	45	120.1742	2.081	58	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:4:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]O)(CCHH)(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CC){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]O)(CCHH)(CH3){1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	119.5480	0.790	4	119.7338	0.518	6	120.1557	1.964	45	120.1742	2.081	58	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:4:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]O)(CH3)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CC){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]O)(CH3)2{1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	120.3870	0.000	1	120.3870	0.000	1	120.1557	1.964	45	120.1742	2.081	58	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:4:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]O)(CHHP)(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CC){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]O)(CHHP)(CH3){1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	120.5550	0.000	1	120.5550	0.000	1	120.1557	1.964	45	120.1742	2.081	58	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:4:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]O)(CHHS)(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CC){1|C<3>,1|N<2>,1|N<3>,1|O<1>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]O)(CHHS)(CH3){1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	119.9620	0.000	1	119.9620	0.000	1	120.1557	1.964	45	120.1742	2.081	58	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:4:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]O)(CCHH)(CHHN)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[5a,6a]H)(H)	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]O)(CCHH)(CHHN){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[5a,6a]H)(H){1|N<3>,2|C<3>,3|C<4>}	119.6440	0.000	1	119.6440	0.000	1	120.1557	1.964	45	120.1742	2.081	58	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:4:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCCH)(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC){2|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCCH)(CH3){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,3|C<4>}	119.0270	0.000	1	119.0270	0.000	1	120.1557	1.964	45	120.1742	2.081	58	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:4:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCHH)(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|O<1>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCHH)(CH3){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	121.1480	0.000	1	121.1480	0.000	1	120.1557	1.964	45	120.1742	2.081	58	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:4:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CC[6a]HH)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CC[6a]HH)2{1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,3|C<4>}	120.0140	0.000	1	120.0140	0.000	1	120.1557	1.964	45	120.1742	2.081	58	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:4:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CHHN)(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|O<1>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CHHN)(CH3){1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	120.1960	0.000	1	120.1960	0.000	1	120.1557	1.964	45	120.1742	2.081	58	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:4:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(CC[6a]HH)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|C<3>,1|N<2>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(CC[6a]HH)2{1|C<4>,1|H<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,3|C<4>}	121.6050	0.000	1	121.6050	0.000	1	120.1557	1.964	45	120.1742	2.081	58	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:4:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]N)(CCHH)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|C<3>,1|N<3>,2|H<1>,2|N<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]N)(CCHH)2{1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	121.6150	1.807	3	121.6150	3.264	3	120.1557	1.964	45	120.1742	2.081	58	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:4:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CBrHH)(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|C<3>,1|N<3>,2|H<1>,2|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CBrHH)(CH3){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	120.5170	0.000	1	120.5170	0.000	1	120.1557	1.964	45	120.1742	2.081	58	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:4:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CCHH)(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]F)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|C<3>,1|F<1>,1|H<1>,1|N<3>,2|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CCHH)(CH3){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]F)(H){1|H<1>,2|C<4>,3|C<3>}	119.6820	0.000	1	119.6820	0.000	1	120.1557	1.964	45	120.1742	2.081	58	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:4:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CCHH)(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|C<3>,1|N<3>,2|H<1>,2|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CCHH)(CH3){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	121.5565	0.353	2	121.8710	0.359	3	120.1557	1.964	45	120.1742	2.081	58	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:4:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CCHH)(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CCHH)(CH3){2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	122.5000	0.000	1	121.8710	0.359	3	120.1557	1.964	45	120.1742	2.081	58	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:4:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CCHH)(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CCHH)(CH3){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|H<1>,2|C<4>,3|C<3>}	119.6190	0.000	1	119.6190	0.000	1	120.1557	1.964	45	120.1742	2.081	58	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:4:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CH3)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|C<3>,1|N<3>,2|H<1>,2|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CH3)2{1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|C<4>,3|C<3>}	121.3137	0.610	4	121.3137	0.372	4	120.1557	1.964	45	120.1742	2.081	58	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:4:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CHHN)(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|C<3>,1|N<3>,2|H<1>,2|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CHHN)(CH3){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	121.3940	0.000	1	121.3940	0.000	1	120.1557	1.964	45	120.1742	2.081	58	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:4:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]B[5])(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|B<3>,1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)2{1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]B[5])(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>,2|O<2>}	121.2935	0.820	2	121.2935	0.672	2	120.1557	1.964	45	120.1742	2.081	58	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:4:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCHH)(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|Br<1>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCHH)(CH3){1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	120.0990	0.000	1	120.0990	0.000	1	120.1557	1.964	45	120.1742	2.081	58	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:4:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]P[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]P[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|O<1>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)2{1|C<4>,1|H<1>,1|P<4>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|P<4>,2|C<3>,2|C<4>}	119.1330	0.000	1	118.9582	2.072	13	120.1557	1.964	45	120.1742	2.081	58	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:4:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]P[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]P[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|O<1>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)2{1|H<1>,1|P<4>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|P<4>,2|C<3>,2|C<4>}	118.7295	0.407	2	118.9582	2.072	13	120.1557	1.964	45	120.1742	2.081	58	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:4:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]P[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]P[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|O<1>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)2{1|P<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|P<4>,2|C<3>,2|C<4>}	118.3310	0.000	1	118.9582	2.072	13	120.1557	1.964	45	120.1742	2.081	58	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:4:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]P[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]P[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|Pd<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)2{1|Br<1>,1|H<1>,1|P<4>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|P<4>,2|C<3>,2|C<4>}	120.7320	0.000	1	118.9582	2.072	13	120.1557	1.964	45	120.1742	2.081	58	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:4:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]P[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]P[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|Pd<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)2{1|P<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|P<4>,2|C<3>,2|C<4>}	121.7720	0.000	1	118.9582	2.072	13	120.1557	1.964	45	120.1742	2.081	58	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:4:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]P[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]P[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|Pt<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)2{1|Br<1>,1|H<1>,1|P<4>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|P<4>,2|C<3>,2|C<4>}	118.3453	1.768	3	118.9582	2.072	13	120.1557	1.964	45	120.1742	2.081	58	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:4:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]P[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]P[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|Pt<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)2{1|P<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|P<4>,2|C<3>,2|C<4>}	119.5525	0.315	2	118.9582	2.072	13	120.1557	1.964	45	120.1742	2.081	58	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:4:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]P[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]P[6])(C[6a]C[6a]H)(C[6]C[6]CC){3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)2{1|Br<1>,1|H<1>,1|P<3>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|P<3>,2|C<3>,2|C<4>}	117.4440	0.580	2	118.9582	2.072	13	120.1557	1.964	45	120.1742	2.081	58	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:4:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[4x6]C[6a])(C[6a]C[6a]H)(C[6]N[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[3x6]O)(CH3)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[4x6]C[6a])(C[6a]C[6a]H)(C[6]N[6]CC){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[3x6]O)(CH3)2{1|H<1>,2|C<3>,3|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	117.1570	0.000	1	117.1570	0.000	1	120.0973	4.007	7	120.1742	2.081	58	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:4:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CHHO)(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CC){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CHHO)(CH3){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|N<3>,1|O<2>,3|C<4>}	118.7840	0.000	1	118.7840	0.000	1	120.0973	4.007	7	120.1742	2.081	58	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:4:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CHHS)(CF3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CC){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CHHS)(CF3){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|N<3>,1|O<2>,3|C<4>}	119.3810	0.000	1	119.3810	0.000	1	120.0973	4.007	7	120.1742	2.081	58	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:4:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]N[6])(CCHH)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CC){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]N[6])(CCHH)2{1|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	122.6465	0.351	2	122.6465	0.124	2	120.0973	4.007	7	120.1742	2.081	58	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:4:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(CCHH)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]CC){2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(CCHH)2{1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,2|C<4>}	120.1610	0.000	1	120.1610	0.000	1	120.0973	4.007	7	120.1742	2.081	58	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:4:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(CC[6a]CH)(CF3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]CC){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(CC[6a]CH)(CF3){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H){1|C<3>,1|H<1>,2|C<4>,2|N<3>}	119.9050	0.000	1	119.9050	0.000	1	120.0973	4.007	7	120.1742	2.081	58	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:4:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:C-4:C-4:	C[6a,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a,6a]O)(C[6]N[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]H)(CH3)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(O)	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a,6a]O)(C[6]N[6]CC){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]H)(CH3)2{1|N<3>,1|O<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(O){1|H<1>,2|C<4>,2|N<3>,3|C<3>}	119.5295	0.606	2	119.5295	0.367	2	119.5295	0.367	2	120.1742	2.081	58	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:4:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:C-4:P-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]CP)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(CF3)(PO3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]CP){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(CF3)(PO3){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H){1|C<3>,1|C<4>,1|H<1>,1|P<4>,2|N<3>}	120.3490	0.000	1	120.3490	0.000	1	120.3490	0.000	1	120.1742	2.081	58	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:3:4:4:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCHH)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]CC){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCHH)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC){1|H<1>,2|C<3>,3|C<4>}	120.3856	0.326	5	120.3856	0.106	5	120.3856	0.106	5	120.3856	0.106	5	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:2:1:	C[5a,6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:N[6a]-2:Cl-1:	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6a]N[6a]Cl)(C[6]C[6]HH)	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6]C[6]CC)(H)2	C[6a](C[6,6a]C[5a,6,6a]C[6])(N[6a]C[6a])(Cl)	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6a]N[6a]Cl)(C[6]C[6]HH){1|C<4>,1|N<3>,4|C<3>}	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6]C[6]CC)(H)2{1|Cl<1>,1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[5a,6,6a]C[6])(N[6a]C[6a])(Cl){1|C<4>,2|C<3>,3|H<1>}	130.2790	0.000	1	130.2790	0.000	1	130.2790	0.000	1	121.0273	9.607	17	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:2:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:N[6a]-2:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6,6a])(C[6a]N[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6,6a])(H)	C[6,6a](C[6,6a]C[6,6a]N[6,6a])(C[6a]N[6a]H)(C[6]C[6]HH){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6,6a])(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	122.6270	0.000	1	122.6270	0.000	1	121.7982	2.586	9	121.0273	9.607	17	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:2:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:N[6a]-2:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]N[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])(H)	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]N[6a]H)(C[6]C[6]HH){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{1|H<1>,2|C<3>,2|N<2>}	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|N<2>,3|H<1>}	124.3415	0.401	2	124.3415	0.161	2	121.7982	2.586	9	121.0273	9.607	17	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:2:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:N[6a]-2:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]N[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]N[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<3>,1|N<2>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])(H){1|C<3>,2|C<4>,3|H<1>}	120.8280	0.000	1	120.6722	0.121	5	121.7982	2.586	9	121.0273	9.607	17	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:2:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:N[6a]-2:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]N[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]N[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])(H){2|C<3>,2|C<4>,2|H<1>}	120.9160	0.262	2	120.6722	0.121	5	121.7982	2.586	9	121.0273	9.607	17	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:2:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:N[6a]-2:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]N[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]N[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])(H){1|C<3>,2|C<4>,3|H<1>}	120.5310	0.000	1	120.6722	0.121	5	121.7982	2.586	9	121.0273	9.607	17	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:2:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:N[6a]-2:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]N[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]N[6a]H)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])(H){1|C<3>,2|C<4>,3|H<1>}	120.1700	0.000	1	120.6722	0.121	5	121.7982	2.586	9	121.0273	9.607	17	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:2:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:N[6a]-2:H-1:	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]N[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])(H)	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]N[6a]H)(C[6]C[6]HH){1|C<2>,1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(H)2{1|C<3>,1|C<4>,3|H<1>,3|N<2>}	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])(H){1|N<2>,1|N<3>,2|C<4>,2|H<1>}	121.5130	0.000	1	121.5130	0.000	1	121.7982	2.586	9	121.0273	9.607	17	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:2:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:O[6a]-2:O-1:	C[6,6a](C[6,6a]C[6a,6a]C[6,6a])(C[6a]O[6a]O)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(O[6a]C[6a,6a])(O)	C[6,6a](C[6,6a]C[6a,6a]C[6,6a])(C[6a]O[6a]O)(C[6]C[6]HH){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{1|O<1>,1|O<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(O[6a]C[6a,6a])(O){1|C<4>,2|H<1>,3|C<3>}	117.5540	0.000	1	117.5540	0.000	1	118.7144	0.772	7	121.0273	9.607	17	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:2:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:O[6a]-2:O-1:	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6a]O[6a]O)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(O[6a]C[6a,6a])(O)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6a]O[6a]O)(C[6]C[6]HH){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2{1|C<3>,1|H<1>,1|O<1>,3|O<2>}	C[6a](C[6,6a]C[6,6a]C[6])(O[6a]C[6a,6a])(O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	118.0945	0.047	2	118.0945	0.002	2	118.7144	0.772	7	121.0273	9.607	17	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:2:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:O[6a]-2:O-1:	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6a]O[6a]O)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(O[6a]C[6a,6a])(O)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6a]O[6a]O)(C[6]C[6]HH){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,3|O<2>}	C[6a](C[6,6a]C[6,6a]C[6])(O[6a]C[6a,6a])(O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	119.4410	0.000	1	119.4410	0.000	1	118.7144	0.772	7	121.0273	9.607	17	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:2:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:O[6a]-2:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]O[6a]O)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(O[6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]O[6a]O)(C[6]C[6]HH){1|C<3>,1|H<1>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2{1|C<3>,1|O<1>,2|C<4>,2|O<2>}	C[6a](C[6,6a]C[6,6a]C[6])(O[6a]C[6a])(O){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	119.5930	0.662	2	119.2723	0.528	3	118.7144	0.772	7	121.0273	9.607	17	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:2:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:O[6a]-2:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]O[6a]O)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(O[6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]O[6a]O)(C[6]C[6]HH){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,1|O<1>,3|O<2>}	C[6a](C[6,6a]C[6,6a]C[6])(O[6a]C[6a])(O){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	118.6310	0.000	1	119.2723	0.528	3	118.7144	0.772	7	121.0273	9.607	17	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:2:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:N[6a]-2:C-3:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]N[6a]C)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a,6a])(CNO)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]N[6a]C)(C[6]C[6]HH){3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a,6a])(CNO){1|C<4>,2|H<1>,3|C<3>}	122.4350	0.000	1	122.4350	0.000	1	122.4350	0.000	1	122.1205	4.759	4	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:2:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:N[6a]-2:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]N[6a])(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6,6a])(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]N[6a])(C[6]C[6]HH){1|C<4>,2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{1|N<2>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6,6a])(C[6a]C[6a]2){1|C<4>,4|H<1>,5|C<3>}	123.5880	0.000	1	123.5880	0.000	1	122.0157	7.073	3	122.1205	4.759	4	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:2:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:N[6a]-2:C[6a]-3:	C[6,6a](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]N[6a])(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a,6a])(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]N[6a])(C[6]C[6]HH){2|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{1|N<2>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a,6a])(C[6a]C[6a]2){1|C<4>,4|H<1>,5|C<3>}	123.5140	0.000	1	123.5140	0.000	1	122.0157	7.073	3	122.1205	4.759	4	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:2:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:N[6a]-2:C[6a]-3:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]N[6a])(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a,6a])(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]N[6a])(C[6]C[6]HH){1|C<4>,4|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a,6a])(C[6a]C[6a]2){2|C<4>,4|C<3>,4|H<1>}	118.9450	0.000	1	118.9450	0.000	1	122.0157	7.073	3	122.1205	4.759	4	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:2:4:	C[5a,6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:N[6a]-2:C-4:	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6a]N[6a]C)(C[6]C[6]HH)	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[5a,6,6a]C[6])(N[6a]C[6a])(CCHH)	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6a]N[6a]C)(C[6]C[6]HH){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[6,6a]C[5a,6,6a]C[6])(N[6a]C[6a])(CCHH){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	127.2480	0.000	1	127.2480	0.000	1	127.2480	0.000	1	123.1083	5.586	9	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:2:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:N[6a]-2:C-4:	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]N[6a]C)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])(CCFF)	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]N[6a]C)(C[6]C[6]HH){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{1|C<4>,2|C<3>,2|N<2>}	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])(CCFF){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	127.1930	0.000	1	127.1930	0.000	1	122.5909	3.629	8	123.1083	5.586	9	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:2:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:N[6a]-2:C-4:	C[6,6a](C[6,6a]N[5a,6a]C[6,6a])(C[6a]N[6a]C)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[5a,6a])(CH3)	C[6,6a](C[6,6a]N[5a,6a]C[6,6a])(C[6a]N[6a]C)(C[6]C[6]HH){1|N<2>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{1|C<4>,1|N<2>,1|N<3>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[5a,6a])(CH3){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	121.9334	0.447	7	121.9334	0.200	7	122.5909	3.629	8	123.1083	5.586	9	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	B[6,6a,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](B[6,6a,6a]N[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]B[6,6a,6a]C[6a])(C[6]C[6]CH)(H)2	C[6a](C[6,6a]B[6,6a,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](B[6,6a,6a]N[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]B[6,6a,6a]C[6a])(C[6]C[6]CH)(H)2{1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a](C[6,6a]B[6,6a,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	125.6490	0.000	1	125.6490	0.000	1	125.6490	0.000	1	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[5,6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6,6a]C[5,3x6]C[5,6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[4x6]HH)(H)2	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[5,6,6a]C[5,3x6]C[5,6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[4x6]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,2|H<1>,3|C<4>}	125.6730	3.688	2	124.9578	3.864	6	126.6664	6.775	28	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[5,6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6,6a]C[5,3x6]C[5,6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[4x6]HH)(H)2	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[5,6,6a]C[5,3x6]C[5,6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[4x6]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,2|H<1>,3|C<4>}	123.7100	0.000	1	124.9578	3.864	6	126.6664	6.775	28	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[5,6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6,6a]C[5,3x6]C[5,6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[4x6]HH)(H)2	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[5,6,6a]C[5,3x6]C[5,6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[4x6]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,2|H<1>,3|C<4>}	124.8970	1.250	3	124.9578	3.864	6	126.6664	6.775	28	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[5,6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6,6a]C[5,6,6]C[5,6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6,6a]C[5,6,6]C[5,6a])(C[6a]C[6a]H)(C[6]C[6]HH){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|H<1>,4|C<3>}	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	127.4610	0.000	1	127.4610	0.000	1	126.6664	6.775	28	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[5,6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6,6a]C[5,6,6]C[5,6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6,6]HN)(H)2	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6,6a]C[5,6,6]C[5,6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6,6]HN)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	130.4555	0.135	4	130.4555	0.018	4	126.6664	6.775	28	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[5,6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6,6a]C[5,6,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6,6a](C[5,6,6a]C[5,6,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6a]C[6,6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	129.5060	0.199	2	129.8195	0.264	4	126.6664	6.775	28	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[5,6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6,6a]C[5,6,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6,6a](C[5,6,6a]C[5,6,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]HH)(H)2{1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6a]C[6,6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	130.1330	0.598	2	129.8195	0.264	4	126.6664	6.775	28	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[5,6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]CH)(H)2	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]CH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	125.9520	0.000	1	125.9520	0.000	1	126.6664	6.775	28	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[5,6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	123.7400	0.277	2	125.1542	2.302	5	126.6664	6.775	28	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[5,6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(C[6]C[6]HH){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	126.2120	0.000	1	125.1542	2.302	5	126.6664	6.775	28	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[5,6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(C[6]C[6]HH){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]HH)(H)2{3|C<3>,3|H<1>}	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	127.1450	0.000	1	125.1542	2.302	5	126.6664	6.775	28	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[5,6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(C[6]C[6]HH){2|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	124.9340	0.000	1	125.1542	2.302	5	126.6664	6.775	28	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[5,6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,2|C<4>,3|H<1>}	125.5210	0.000	1	125.5210	0.000	1	126.6664	6.775	28	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[5,6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6a]C[6a]F)(H)	C[6,6a](C[5,6,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]HH){1|F<1>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6a]C[6a]F)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	126.5450	0.000	1	126.5450	0.000	1	126.6664	6.775	28	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[5,6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|P<4>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	123.5705	0.626	2	124.9124	2.392	5	126.6664	6.775	28	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[5,6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|P<4>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	124.4770	0.000	1	124.9124	2.392	5	126.6664	6.775	28	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[5,6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]HH){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	126.4720	0.721	2	124.9124	2.392	5	126.6664	6.775	28	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[5a,6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a,6a]-3:Cl-1:	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6a]C[6a,6a]Cl)(C[6]C[6]HH)	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[5a,6,6a]C[6])(C[6a,6a]C[6a,6a]C[6a])(Cl)	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6a]C[6a,6a]Cl)(C[6]C[6]HH){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6]C[6]HH)(H)2{1|Cl<1>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[5a,6,6a]C[6])(C[6a,6a]C[6a,6a]C[6a])(Cl){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	127.7320	0.000	1	127.7320	0.000	1	127.7320	0.000	1	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[5a,6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a,6a]-3:H-1:	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6a]C[6a,6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[5a,6,6a]C[6])(C[6a,6a]C[6a,6a]C[6a])(H)	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6a]C[6a,6a]H)(C[6]C[6]HH){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[5a,6,6a]C[6])(C[6a,6a]C[6a,6a]C[6a])(H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	126.9770	0.000	1	126.9770	0.000	1	126.9770	0.000	1	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[5a,6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6]C[6]CC)(H)2	C[6a](C[6,6a]C[5a,6,6a]C[6])(C[6a]C[6a]Br)(H)	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(C[6]C[6]HH){1|Br<1>,1|C<4>,1|N<3>,4|C<3>}	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6]C[6]CC)(H)2{3|C<3>,3|H<1>}	C[6a](C[6,6a]C[5a,6,6a]C[6])(C[6a]C[6a]Br)(H){1|C<4>,2|C<3>,3|H<1>}	127.1240	0.000	1	127.1240	0.000	1	127.5645	0.675	8	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[5a,6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6]C[6]CC)(H)2	C[6a](C[6,6a]C[5a,6,6a]C[6])(C[6a]C[6a]C)(H)	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,1|N<3>,5|C<3>}	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6]C[6]CC)(H)2{3|C<3>,3|H<1>}	C[6a](C[6,6a]C[5a,6,6a]C[6])(C[6a]C[6a]C)(H){1|C<4>,2|C<3>,3|H<1>}	127.0200	0.000	1	127.0200	0.000	1	127.5645	0.675	8	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[5a,6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[5a,6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<2>,1|O<2>,3|H<1>}	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6]C[6]HH)(H)2{3|C<3>,3|H<1>}	C[6a](C[6,6a]C[5a,6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	129.2360	0.000	1	129.2360	0.000	1	127.5645	0.675	8	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[5a,6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[5a,6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[5a,6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	127.4272	0.579	5	127.4272	0.336	5	127.5645	0.675	8	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[5,6a]-3:H-1:	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[5,6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6a](C[6,6a]C[6,6,6a]C[6])(C[5,6a]C[5,6a]O[5])(H)	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[5,6a]H)(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6,6a]C[6])(C[5,6a]C[5,6a]O[5])(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	119.7370	0.000	1	119.5357	0.293	3	119.5357	0.293	3	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[5,6a]-3:H-1:	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[5,6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6a](C[6,6a]C[6,6,6a]C[6])(C[5,6a]C[5,6a]O[5])(H)	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[5,6a]H)(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]N[6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6,6a]C[6,6,6a]C[6])(C[5,6a]C[5,6a]O[5])(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	119.4350	0.724	2	119.5357	0.293	3	119.5357	0.293	3	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6a]C[6,6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6,6a]C[6,6a]C[5,6])(H)	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6a]C[6,6a]H)(C[6]C[6]HH){1|C<3>,2|H<1>,4|C<4>}	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6,6a]C[6,6a]C[5,6])(H){1|C<4>,1|N<3>,2|H<1>,2|O<2>,3|C<3>}	121.0472	1.107	4	121.0472	1.225	4	121.0472	1.225	4	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6,6a]C[5,6,6]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]N[5,6]HH)(H)2	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6,6a]C[5,6,6]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]N[5,6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	120.2670	0.000	1	120.2670	0.000	1	121.0625	2.524	75	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6,6a]C[6,6,6a]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]C)(H)	C[6,6a](C[6,6,6a]C[6,6,6a]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]C)(H){1|C<4>,2|C<3>,3|H<1>}	122.3714	0.420	8	122.3714	0.176	8	121.0625	2.524	75	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6,6a]C[6,6,6a]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6,6a]C[6,6,6a]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	122.7078	0.852	16	122.7078	0.725	16	121.0625	2.524	75	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6,6a]C[6,6a]C[3x6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6,6]HN)(H)2	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6,6a]C[6,6a]C[3x6])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6,6]HN)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	120.6945	0.261	2	121.2773	1.053	3	121.0625	2.524	75	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6,6a]C[6,6a]C[3x6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6,6]HN)(H)2	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6,6a]C[6,6a]C[3x6])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<4>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6,6]HN)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	122.4430	0.000	1	121.2773	1.053	3	121.0625	2.524	75	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6,6a]C[6,6a]C[3x6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6,6a]C[6,6a]C[3x6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|N<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.2650	0.000	1	118.6237	0.474	12	121.0625	2.524	75	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6,6a]C[6,6a]C[3x6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6,6a]C[6,6a]C[3x6])(C[6a]C[6a]H)(C[6]C[6]HH){2|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	118.4745	0.476	11	118.6237	0.474	12	121.0625	2.524	75	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|N<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.6685	0.866	2	121.0447	1.199	4	121.0625	2.524	75	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(C[6]C[6]HH){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.3530	0.000	1	121.0447	1.199	4	121.0625	2.524	75	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(C[6]C[6]HH){2|O<2>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	122.4890	0.000	1	121.0447	1.199	4	121.0625	2.524	75	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	120.1675	0.687	2	119.7297	0.811	3	121.0625	2.524	75	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,1|N<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	118.8540	0.000	1	119.7297	0.811	3	121.0625	2.524	75	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]O[6]CH)(H)2	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,2|C<4>,2|H<1>,3|O<2>}	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]O[6]CH)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]O)(H){2|C<3>,2|C<4>,2|H<1>}	119.5910	0.000	1	119.5910	0.000	1	121.0625	2.524	75	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]O[6]HH)(H)2	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]O[6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.6490	0.220	4	121.6490	0.048	4	121.0625	2.524	75	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[4a]C[6a])(H)	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(C[6]C[6]HH){2|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[4a]C[6a])(H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	123.0220	0.033	2	123.0220	0.001	2	121.0625	2.524	75	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[5a]C[6a])(H)	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(C[6]C[6]HH){2|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[5a]C[6a])(H){1|C<3>,1|C<4>,1|N<2>,2|N<3>,3|H<1>}	120.3810	0.095	2	120.0875	0.514	4	121.0625	2.524	75	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[5a]C[6a])(H)	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(C[6]C[6]HH){2|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[5a]C[6a])(H){1|C<4>,1|N<2>,1|N<3>,2|C<3>,3|H<1>}	119.7940	1.090	2	120.0875	0.514	4	121.0625	2.524	75	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]C)(H)	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(C[6]C[6]HH){2|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	121.1195	0.596	11	120.8154	0.619	17	121.0625	2.524	75	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]C)(H)	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(C[6]C[6]HH){2|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.2578	0.834	6	120.8154	0.619	17	121.0625	2.524	75	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6a,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6a]C[6a,6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6,6a]C[6])(H)	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6a]C[6a,6a]H)(C[6]C[6]HH){2|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6,6a]C[6])(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>,2|O<2>}	120.6865	0.609	2	120.6865	0.371	2	121.1242	0.462	23	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6a,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6a]C[6a,6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6,6a]C[6])(H)	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6a]C[6a,6a]H)(C[6]C[6]HH){2|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6,6a]C[6])(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,3|H<1>}	121.2416	0.677	15	121.1659	0.468	21	121.1242	0.462	23	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6a,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6a]C[6a,6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6,6a]C[6])(H)	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6a]C[6a,6a]H)(C[6]C[6]HH){2|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6,6a]C[6])(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>,3|C<3>}	120.8950	0.000	1	121.1659	0.468	21	121.1242	0.462	23	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6a,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6a]C[6a,6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6,6a]C[6])(H)	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6a]C[6a,6a]H)(C[6]C[6]HH){2|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6,6a]C[6])(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>,2|N<3>}	119.7060	0.000	1	121.1659	0.468	21	121.1242	0.462	23	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6a,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6a]C[6a,6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6,6a]C[6])(H)	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6a]C[6a,6a]H)(C[6]C[6]HH){2|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6,6a]C[6])(H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	121.3148	0.437	4	121.1659	0.468	21	121.1242	0.462	23	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6,6a]O[4,6,6]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6,6a]C[6a])(N[6]In[4,6]CC)(H)2	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]C)(H)	C[6,6a](C[6,6,6a]O[4,6,6]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]HH){2|In<5>,1|C<3>,4|C<4>}	C[6](C[6,6a]C[6,6,6a]C[6a])(N[6]In[4,6]CC)(H)2{2|Cl<1>,1|H<1>,1|O<2>,1|O<3>,2|C<3>}	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]C)(H){1|C<3>,1|N<4>,1|O<3>,3|H<1>}	116.5950	0.429	2	116.5950	0.184	2	116.5950	0.184	2	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a,6a]C[6a,6a]N[6,6a])(C[6a]C[5a,6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6,6a]C[6,6a,6a]C[6])(H)	C[6,6a](C[6,6a,6a]C[6a,6a]N[6,6a])(C[6a]C[5a,6a]H)(C[6]C[6]HH){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6,6a]C[6,6a,6a]C[6])(H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	120.4430	0.000	1	120.4430	0.000	1	120.4430	0.000	1	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[5,6a]-3:H-1:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[5,6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]HH)(H)2	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[5,6a]C[5,6a]O[5])(H)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[5,6a]H)(C[6]C[6]HH){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]HH)(H)2{1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[5,6a]C[5,6a]O[5])(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	119.3010	0.124	2	119.3010	0.015	2	119.3010	0.015	2	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a,6a]-3:Cl-1:	C[6,6a](C[6,6a,6a]C[6a,6a]N[6,6a])(C[6a]C[6a,6a]Cl)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a,6a]C[6a,6a]C[6a])(Cl)	C[6,6a](C[6,6a,6a]C[6a,6a]N[6,6a])(C[6a]C[6a,6a]Cl)(C[6]C[6]HH){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]HH)(H)2{1|Cl<1>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a,6a]C[6a,6a]C[6a])(Cl){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	122.2530	0.000	1	122.2530	0.000	1	122.2530	0.000	1	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[5a,6a]H)(H)	C[6,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[5a,6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	123.2640	0.000	1	123.2640	0.000	1	121.3464	1.253	20	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a,6a]C[6,6,6a]C[6a,6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6,6]HH)(H)2	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a,6a]C[6,6,6a]C[6a,6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6,6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	122.4785	0.442	2	122.4785	0.195	2	121.3464	1.253	20	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]HH)(H)2{3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6,6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	121.6340	0.150	2	121.6340	0.022	2	121.3464	1.253	20	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6a,6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6,6a]HH)(H)2	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6a,6a])(C[6a]C[6a]H)(C[6]C[6]HH){3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6,6a]HH)(H)2{1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	122.5443	0.483	3	122.5443	0.233	3	121.3464	1.253	20	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]CC)(H)2	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,1|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]CC)(H)2{3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.9725	0.012	2	120.9725	0.000	2	121.3464	1.253	20	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]HH)(H)2{2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	121.5550	0.000	1	121.5680	0.000	2	121.3464	1.253	20	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]HH){3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	121.5810	0.000	1	121.5680	0.000	2	121.3464	1.253	20	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]HH)(H)2	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]O)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.8240	0.000	1	120.4180	0.415	4	121.3464	1.253	20	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]HH)(H)2	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]HH)(H)2{1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]O)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.2827	0.716	3	120.4180	0.415	4	121.3464	1.253	20	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]P[6]CC)(H)2	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|H<1>,1|P<4>,2|C<4>,3|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]P[6]CC)(H)2{1|Pt<4>,1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	119.1240	0.000	1	119.1240	0.000	1	121.3464	1.253	20	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a,6a]C[6a,6a]N[6,6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a,6a]C[6a,6a]N[6,6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.6430	0.680	3	120.6430	0.462	3	121.3464	1.253	20	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:B[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]B[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(B[6]N[5,6]C[6a]2)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]B[6]HH){1|N<3>,1|S<2>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(B[6]N[5,6]C[6a]2)(H)2{1|H<1>,8|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|B<4>,2|C<3>,3|H<1>}	123.7130	0.000	1	123.7555	0.004	2	123.6168	0.215	6	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:B[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]B[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(B[6]N[5,6]C[6a]2)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]B[6]HH){2|H<1>,2|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(B[6]N[5,6]C[6a]2)(H)2{1|H<1>,1|N<2>,7|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|B<4>,2|C<3>,3|H<1>}	123.7980	0.000	1	123.7555	0.004	2	123.6168	0.215	6	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:B[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]B[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6,6]C[6a]2)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]B[6]HH){1|N<3>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6,6]C[6a]2)(H)2{1|H<1>,8|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|B<4>,2|C<3>,3|H<1>}	123.4163	0.635	3	123.4163	0.403	3	123.6168	0.215	6	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:B[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]N[6a])(C[6a]C[6a]H)(C[6]B[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6,6]C[6a]2)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6]N[6a])(C[6a]C[6a]H)(C[6]B[6]HH){1|H<1>,1|N<3>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6,6]C[6a]2)(H)2{1|H<1>,1|N<2>,7|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|N<2>,3|H<1>}	123.9410	0.000	1	123.9410	0.000	1	123.6168	0.215	6	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[5,6]-4:F-1:H-1:	C[5,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[5,6]FH)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(F)(H)	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[5,6]FH){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(F)(H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H){1|C<3>,1|F<1>,1|H<1>,1|O<2>,3|C<4>}	115.8870	0.000	1	115.8870	0.000	1	115.8870	0.000	1	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[5,6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[5,6]HH){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2{1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	120.3560	4.196	2	118.7234	5.073	9	118.7234	5.073	9	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[5,6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[5,6]HH){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2{2|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	119.9585	2.713	2	118.7234	5.073	9	118.7234	5.073	9	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[5,6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[5,6]HH){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2{1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	117.0380	0.000	1	118.7234	5.073	9	118.7234	5.073	9	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[5,6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[5,6]HH){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2{1|C<4>,2|O<2>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	117.7290	0.525	2	118.7234	5.073	9	118.7234	5.073	9	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[5,6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[5,6]HH){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2{2|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	117.5930	0.000	1	118.7234	5.073	9	118.7234	5.073	9	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[5,6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[5,6]HH){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2{1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	117.7930	0.000	1	118.7234	5.073	9	118.7234	5.073	9	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]H)(C[6]C[5,6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]O[5]C)(H)2	C[6a](C[6,6a]C[6,6a]C[6])2(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]H)(C[6]C[5,6]HH){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]O[5]C)(H)2{1|C<4>,1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])2(H){2|C<4>,3|C<3>,4|H<1>}	123.3810	0.000	1	123.3810	0.000	1	123.3810	0.000	1	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6a,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[5,6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]C)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[5,6]HH){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]C)(H)2{2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(H){2|C<4>,3|C<3>,3|H<1>}	122.0670	0.000	1	122.0670	0.000	1	122.0670	0.000	1	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6a,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6,6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]2C)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6,6]HH){2|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]2C)(H)2{2|C<3>,3|H<1>,4|C<4>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(H){2|C<4>,3|C<3>,3|H<1>}	120.8980	0.000	1	120.8980	0.000	1	121.6340	0.485	3	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6a,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6,6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6,6]HH){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2{2|H<1>,2|O<2>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(H){1|C<4>,3|H<1>,4|C<3>}	122.2820	0.000	1	122.0020	0.157	2	121.6340	0.485	3	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6a,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6,6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6,6]HH){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2{2|C<3>,3|H<1>,4|C<4>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(H){2|C<4>,3|C<3>,3|H<1>}	121.7220	0.000	1	122.0020	0.157	2	121.6340	0.485	3	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:Br-1:H-1:	C[6,6a]-3:C[6,6a]-3:Br-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]Br)(C[6]C[6]BrH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrH)(Br)(H)	C[6a](C[6,6a]C[6,6a]C[6])2(Br)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]Br)(C[6]C[6]BrH){3|Br<1>,1|C<2>,1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrH)(Br)(H){2|Br<1>,1|C<4>,1|H<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])2(Br){1|Br<1>,1|H<1>,2|C<4>,3|C<3>}	122.2800	0.000	1	121.8115	0.439	2	121.8115	0.439	2	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:Br-1:H-1:	C[6,6a]-3:C[6,6a]-3:Br-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]Br)(C[6]C[6]BrH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrH)(Br)(H)	C[6a](C[6,6a]C[6,6a]C[6])2(Br)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]Br)(C[6]C[6]BrH){3|Br<1>,1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrH)(Br)(H){2|Br<1>,1|C<4>,1|H<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])2(Br){1|Br<1>,1|C<2>,2|C<3>,2|C<4>,2|H<1>}	121.3430	0.000	1	121.8115	0.439	2	121.8115	0.439	2	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:F-1:F-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]FF)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HO)(F)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]FF){1|C<3>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HO)(F)2{2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|F<1>}	121.7045	0.021	2	121.7045	0.000	2	121.7045	0.000	2	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:F-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]FH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HS)(F)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]FH){1|C<3>,1|C<4>,1|S<4>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HS)(F)(H){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|F<1>,2|C<4>,2|H<1>}	117.7780	0.000	1	117.7780	0.000	1	120.7894	3.720	5	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:F-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]FH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(F)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]FH){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(F)(H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|F<1>,2|C<4>,2|H<1>}	119.9170	0.000	1	119.9170	0.000	1	120.7894	3.720	5	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:F-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]FH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(F)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]FH){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(F)(H){1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|F<1>,2|C<3>,2|H<1>}	122.0840	0.102	3	122.0840	0.010	3	120.7894	3.720	5	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6a]-3:C[6,6a]-3:Br-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]Br)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(Br)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]Br)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{1|Br<1>,1|O<2>,4|C<3>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(Br){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	121.1120	0.000	1	121.1120	0.000	1	121.1120	0.000	1	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[5,5,6]C[6a])(C[6a]C[5,6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H)	C[6,6a](C[6,6a]C[5,5,6]C[6a])(C[6a]C[5,6a]H)(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2{1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	118.5060	0.000	1	118.5060	0.000	1	119.5684	1.616	39	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[5,6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[5,6a]H)(C[6]C[6]HH){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	118.1960	0.000	1	118.1960	0.000	1	119.5684	1.616	39	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[5,6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]HH)(H)2	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[5,6a]H)(C[6]C[6]HH){1|N<3>,2|C<3>,2|H<1>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]HH)(H)2{1|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	120.0610	0.000	1	120.0610	0.000	1	119.5684	1.616	39	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5,6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HO)(H)2	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5,6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,2|O<2>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HO)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	119.3300	0.000	1	119.3300	0.000	1	119.5684	1.616	39	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5,6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5,6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	119.7963	0.471	4	119.9058	0.961	19	119.5684	1.616	39	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5,6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5,6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	118.8600	0.000	1	119.9058	0.961	19	119.5684	1.616	39	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5,6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5,6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	119.6650	0.000	1	119.9058	0.961	19	119.5684	1.616	39	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5,6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5,6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<4>,1|O<2>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	118.7655	0.583	2	119.9058	0.961	19	119.5684	1.616	39	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5,6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5,6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<4>,2|O<2>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2{1|H<1>,2|C<3>,3|C<4>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	117.4560	0.000	1	119.9058	0.961	19	119.5684	1.616	39	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5,6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5,6a]H)(C[6]C[6]HH){1|N<3>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	120.1280	0.000	1	119.9058	0.961	19	119.5684	1.616	39	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5,6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5,6a]H)(C[6]C[6]HH){1|N<3>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2{1|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	120.5983	0.517	9	119.9058	0.961	19	119.5684	1.616	39	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5,6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5,6a]H)(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	118.1590	0.000	1	118.1590	0.000	1	119.5684	1.616	39	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[5,6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6a]H)(H)2	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[5,6a]H)(C[6]C[6]HH){1|O<2>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6a]H)(H)2{1|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	119.4860	0.000	1	119.4860	0.000	1	119.5684	1.616	39	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[5,6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	C[6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6,6a]C[6])(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[5,6a]H)(C[6]C[6]HH){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{1|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6,6a]C[6])(H){1|C<4>,2|O<2>,3|C<3>,3|H<1>}	120.2070	0.000	1	120.2070	0.000	1	119.5684	1.616	39	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[6]HH){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	117.3110	0.000	2	117.3110	0.000	2	119.5684	1.616	39	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H)2	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H)2{1|H<1>,2|C<4>,3|C<3>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	119.5180	0.000	1	119.5180	0.000	1	119.5684	1.616	39	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(H)2	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[6]HH){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(H)2{1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	117.5870	0.000	1	117.5870	0.000	1	119.5684	1.616	39	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	117.8470	0.037	2	119.1768	3.523	5	119.5684	1.616	39	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<4>,1|O<2>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|H<1>,2|C<3>,3|C<4>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	117.9760	0.000	1	119.1768	3.523	5	119.5684	1.616	39	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[6]HH){1|N<2>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	122.0180	0.000	1	119.1768	3.523	5	119.5684	1.616	39	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[6]HH){1|N<3>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|Cu<5>,1|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	120.1960	0.000	1	119.1768	3.523	5	119.5684	1.616	39	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[5,6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[5,6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	120.8503	0.470	4	120.8503	0.221	4	119.5684	1.616	39	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6a]C[5a,6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]C[6])(H)	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6a]C[5a,6a]H)(C[6]C[6]HH){1|C<3>,1|N<3>,3|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|H<1>,2|C<3>,3|C<4>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]C[6])(H){1|S<4>,2|C<4>,2|H<1>,3|C<3>}	117.3310	0.000	1	117.3310	0.000	1	119.3460	6.995	3	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5a,6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6,6a]C[6,6a]C[6])(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5a,6a]H)(C[6]C[6]HH){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6,6a]C[6,6a]C[6])(H){2|C<4>,2|H<1>,3|C<3>}	118.3660	0.000	1	118.3660	0.000	1	119.3460	6.995	3	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[5a,6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6,6a]C[6,6a]C[6])(H)	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[5a,6a]H)(C[6]C[6]HH){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{1|H<1>,1|N<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6,6a]C[6,6a]C[6])(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>,2|N<2>}	122.3410	0.000	1	122.3410	0.000	1	119.3460	6.995	3	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[5a,6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5a,6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[5a,6a]C[5a,6a]2)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5a,6a]H)(C[6]C[6]HH){2|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[5a,6a]C[5a,6a]2)(H){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	117.9735	0.235	2	117.9735	0.055	2	117.9735	0.055	2	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[5a,6]N[6a])(C[6a]C[6,6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])2(H)	C[6,6a](C[6,6a]C[5a,6]N[6a])(C[6a]C[6,6a]H)(C[6]C[6]HH){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)(H)2{1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])2(H){1|N<2>,2|C<3>,2|C<4>,4|H<1>}	122.9525	0.631	2	122.9525	0.399	2	122.2834	0.605	8	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6,6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6,6a]2)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6,6a]H)(C[6]C[6]HH){1|N<2>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6,6a]2)(H){1|N<2>,2|C<4>,2|H<1>,3|C<3>}	122.1665	0.138	2	122.1665	0.019	2	122.2834	0.605	8	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6,6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])2(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6,6a]H)(C[6]C[6]HH){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])2(H){2|C<4>,3|C<3>,4|H<1>}	122.2210	0.000	1	122.2210	0.000	1	122.2834	0.605	8	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[6,6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])2(H)	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[6,6a]H)(C[6]C[6]HH){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])2(H){1|C<3>,1|N<2>,1|O<1>,2|H<1>,3|C<4>}	122.5845	0.060	2	122.5845	0.004	2	122.2834	0.605	8	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])2(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]H)(C[6]C[6]HH){1|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])2(H){2|H<1>,3|C<3>,4|C<4>}	120.6390	0.000	1	120.6390	0.000	1	122.2834	0.605	8	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:Br-1:	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]Br)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(Br)	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]Br)(C[6]C[6]HH){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]HH)(H)2{1|Br<1>,1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(Br){1|C<3>,2|C<4>,3|H<1>}	121.6470	0.000	1	121.6470	0.000	1	121.1765	1.788	12	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:Br-1:	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]Br)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(Br)	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]Br)(C[6]C[6]HH){1|C<3>,3|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|Br<1>,1|C<4>,1|F<1>,1|H<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(Br){1|C<3>,2|C<4>,3|H<1>}	119.9900	0.000	1	119.9900	0.000	1	121.1765	1.788	12	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:Br-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Br)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(Br)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Br)(C[6]C[6]HH){1|C<4>,2|H<1>,2|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|Br<1>,1|O<2>,2|C<3>,2|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(Br){1|C<3>,2|C<4>,3|H<1>}	120.2000	0.000	1	120.2000	0.000	1	121.1765	1.788	12	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:Br-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]Br)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]F)(Br)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]Br)(C[6]C[6]HH){1|C<4>,1|F<1>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|Br<1>,1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]F)(Br){1|Br<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	121.0433	1.154	8	121.0433	1.333	8	121.1765	1.788	12	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:Br-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]Br)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(Br)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]Br)(C[6]C[6]HH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|Br<1>,1|O<1>,1|O<2>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(Br){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	123.9350	0.000	1	123.9350	0.000	1	121.1765	1.788	12	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:Cl-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]Cl)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(Cl)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]Cl)(C[6]C[6]HH){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2{1|Cl<1>,1|C<4>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	120.7490	0.301	2	120.7490	0.091	2	122.0697	3.015	4	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:Cl-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]Cl)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(Cl)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]Cl)(C[6]C[6]HH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|Cl<1>,1|O<1>,1|O<2>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(Cl){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	124.3850	0.000	1	124.3850	0.000	1	122.0697	3.015	4	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:Cl-1:	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]Cl)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(Cl)	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]Cl)(C[6]C[6]HH){1|C<4>,2|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(Cl){1|N<3>,1|O<1>,2|C<4>,2|H<1>}	122.3960	0.000	1	122.3960	0.000	1	122.0697	3.015	4	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:F-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]F)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(F)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]F)(C[6]C[6]HH){1|C<3>,1|N<3>,1|O<2>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2{1|C<4>,1|F<1>,1|N<3>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(F){1|C<3>,2|C<4>,3|H<1>}	121.8915	4.086	2	121.8915	16.698	2	121.8915	16.698	2	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]Br[6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]Ga[4]Ga[6]Si)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]Br[6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|Si<4>,2|Ga<4>,1|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]Ga[4]Ga[6]Si)(H)2{1|Br<2>,2|Cl<2>,3|Cl<1>,1|H<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|Br<2>,1|C<3>,1|C<4>,3|H<1>}	120.1800	0.000	1	120.1800	0.000	1	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]CH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,3|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]CH)(H)2{1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.4310	0.000	1	121.4310	0.000	1	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.6140	0.757	2	121.4563	0.319	10	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.5165	0.771	2	121.4563	0.319	10	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|N<4>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.9110	0.000	1	121.4563	0.319	10	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]HH)(H)2{1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.9435	0.247	2	121.4563	0.319	10	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]HH)(H)2{1|H<1>,2|C<3>,3|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.2340	0.000	1	121.4563	0.319	10	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.1350	0.744	2	121.4563	0.319	10	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,2|C<4>,3|H<1>}	121.2220	0.000	1	121.2220	0.000	1	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,3|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	119.3720	0.000	1	119.3720	0.000	1	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,3|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	119.6540	0.000	1	119.6540	0.000	1	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[4,6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[4,6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	119.1790	0.000	1	119.1790	0.000	1	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[4x6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3x6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[4x6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,2|N<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3x6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	119.5805	0.746	2	119.5805	0.557	2	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,5,6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6,6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,5,6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	119.6590	0.000	1	119.6590	0.000	1	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,5,6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,5,6]HH)(H)2{1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	120.5197	0.311	3	120.3478	0.118	5	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,5,6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,5,6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	119.9190	0.000	1	120.3478	0.118	5	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,5,6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,3|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,5,6]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.2610	0.000	1	120.3478	0.118	5	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6,6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|N<3>,3|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6,6]HH)(H)2{1|H<1>,2|C<3>,3|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|C<3>,2|C<4>,3|H<1>}	117.8760	0.000	1	117.8760	0.000	1	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.7620	0.249	2	120.7620	0.062	2	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	119.1110	0.000	1	119.1110	0.000	1	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	114.0040	0.000	1	114.0040	0.000	1	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	119.6240	0.000	1	119.6240	0.000	1	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|N<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	118.7862	1.119	5	120.1615	4.396	8	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	122.4537	0.521	3	120.1615	4.396	8	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]CH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|N<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]CH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	121.1510	0.000	1	121.1510	0.000	1	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(H)2{1|C<4>,1|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.4760	0.000	1	120.4760	0.000	1	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|S<4>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)(H){1|F<1>,2|C<4>,2|H<1>,3|C<3>}	121.1970	0.342	2	121.1970	0.117	2	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|Br<1>,1|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H){1|C<3>,2|C<4>,3|H<1>}	119.2750	0.000	1	119.2750	0.000	1	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|C<3>,2|C<4>,3|H<1>}	119.7870	0.000	1	119.7870	0.000	1	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|Cl<1>,1|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H){1|C<3>,2|C<4>,3|H<1>}	119.8910	0.000	1	119.8910	0.000	1	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<2>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.5040	0.049	2	120.3890	1.754	45	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<2>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.7460	0.053	3	120.3890	1.754	45	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	122.8270	0.000	1	120.3890	1.754	45	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.1950	0.000	1	120.3890	1.754	45	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	118.6930	0.000	1	120.3890	1.754	45	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	118.1120	0.415	4	120.3890	1.754	45	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.2220	0.000	1	120.3890	1.754	45	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	120.9810	0.000	1	120.3890	1.754	45	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.8555	0.510	2	120.3890	1.754	45	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	119.9280	0.350	3	120.3890	1.754	45	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	119.5000	0.403	3	120.3890	1.754	45	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	120.5330	0.000	1	120.3890	1.754	45	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	119.7455	0.158	2	120.3890	1.754	45	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,3|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{1|C<2>,1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	118.8000	0.000	1	120.3890	1.754	45	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.1570	0.547	3	120.3890	1.754	45	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	121.6690	0.492	4	120.3890	1.754	45	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	119.5810	0.000	1	120.3890	1.754	45	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,2|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{1|C<4>,1|H<1>,1|P<4>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	123.3885	0.934	2	120.3890	1.754	45	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,2|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	119.0130	0.000	1	120.3890	1.754	45	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,2|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.5250	0.000	1	120.3890	1.754	45	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.2147	0.894	3	120.3890	1.754	45	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	122.5120	0.000	1	120.3890	1.754	45	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	121.5730	0.000	1	120.3890	1.754	45	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|S<2>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{1|H<1>,1|S<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	121.5850	0.000	1	120.3890	1.754	45	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.7160	0.000	1	120.3890	1.754	45	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,2|C<4>,3|H<1>}	118.6250	0.000	1	118.1635	0.426	2	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,2|C<4>,3|H<1>}	117.7020	0.000	1	118.1635	0.426	2	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	119.3110	0.000	1	119.3110	0.000	1	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<2>,1|N<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	119.9920	0.000	1	118.9640	0.928	17	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	119.6650	0.000	1	118.9640	0.928	17	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|I<1>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	117.2490	0.000	1	118.9640	0.928	17	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	118.0350	0.000	1	118.9640	0.928	17	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	119.4280	0.000	1	118.9640	0.928	17	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	119.1240	0.000	1	118.9640	0.928	17	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|S<2>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	119.3770	0.000	1	118.9640	0.928	17	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,3|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	118.2490	0.000	1	118.9640	0.928	17	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	119.4100	0.467	2	118.9640	0.928	17	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	119.7135	0.267	2	118.9640	0.928	17	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	118.8650	0.000	1	118.9640	0.928	17	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	118.7980	0.000	1	118.9640	0.928	17	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){2|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	117.4630	0.263	2	118.9640	0.928	17	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){4|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	120.4330	0.000	1	118.9640	0.928	17	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]CC)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|N<3>,3|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]CC)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.4495	2.526	2	122.2830	5.276	3	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]CC)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]CC)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	123.9500	0.000	1	122.2830	5.276	3	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]CH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<2>,1|N<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]CH)(H)2{1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	121.9480	0.000	1	121.1270	1.410	5	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]CH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]CH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	119.5800	0.000	1	121.1270	1.410	5	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]CH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|N<3>,3|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]CH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.2720	0.000	1	121.1270	1.410	5	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]CH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]CH)(H)2{1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	121.9175	0.769	2	121.1270	1.410	5	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]CH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|N<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]CH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	118.7700	0.000	1	118.6417	0.014	3	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]CH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|N<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]CH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	118.5775	0.049	2	118.6417	0.014	3	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]C[6a]H)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]C[6a]H)(H)2{1|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	121.6835	0.117	4	121.6835	0.014	4	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|Br<1>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H){1|C<3>,2|C<4>,3|H<1>}	120.7940	0.000	1	120.3397	1.136	3	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|Br<1>,1|C<3>,1|N<3>,1|O<2>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H){1|C<3>,2|C<4>,3|H<1>}	121.1030	0.000	1	120.3397	1.136	3	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|Br<1>,1|N<3>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H){1|C<3>,2|C<4>,3|H<1>}	119.1220	0.000	1	120.3397	1.136	3	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	123.2950	0.000	1	120.8859	1.316	38	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	123.9590	0.000	1	120.8859	1.316	38	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	121.7947	0.245	3	120.8859	1.316	38	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.7278	0.292	9	120.8859	1.316	38	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	120.9830	0.000	1	120.8859	1.316	38	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.0635	1.747	4	120.8859	1.316	38	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.5123	0.994	6	120.8859	1.316	38	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<4>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.6610	0.000	1	120.8859	1.316	38	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|N<3>,1|O<2>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	122.2005	0.781	2	120.8859	1.316	38	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,2|N<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.6197	0.697	3	120.8859	1.316	38	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.5990	0.000	1	120.8859	1.316	38	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.0860	0.000	1	120.8859	1.316	38	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2{1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	122.4010	0.000	1	120.8859	1.316	38	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,2|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.8110	0.000	1	120.8859	1.316	38	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,2|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.1620	0.000	1	120.8859	1.316	38	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	119.8230	0.000	1	120.8859	1.316	38	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){2|C<3>,2|N<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	119.3640	0.000	1	120.8859	1.316	38	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,1|O<2>,1|S<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	119.4890	0.000	1	119.1674	1.557	27	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	119.0541	0.638	10	119.1674	1.557	27	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	118.9963	0.483	3	119.1674	1.557	27	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|N<3>,1|O<2>,1|S<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	120.3340	0.000	2	119.1674	1.557	27	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|N<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	117.6960	0.000	1	119.1674	1.557	27	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	119.2005	0.200	2	119.1674	1.557	27	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2{1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	121.0485	0.336	2	119.1674	1.557	27	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	117.8330	0.000	1	119.1674	1.557	27	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,2|C<3>,2|H<1>,3|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	117.7530	0.000	1	119.1674	1.557	27	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,2|C<3>,2|H<1>,3|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,2|C<4>,3|H<1>}	116.7010	0.000	1	119.1674	1.557	27	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,2|C<3>,2|O<2>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	118.3170	0.078	2	119.1674	1.557	27	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,2|C<3>,2|O<2>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,2|C<4>,3|H<1>}	122.7180	0.000	1	119.1674	1.557	27	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]N[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6,6a](C[6,6a]C[5,6]N[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,1|O<2>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	121.1310	0.102	2	121.1310	0.010	2	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]N[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]N[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,1|O<2>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	123.6700	1.329	2	123.6700	1.767	2	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<2>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)(H)2{1|H<1>,1|S<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	121.9150	0.406	2	121.2074	0.314	14	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)(H)2{1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	121.2853	0.377	6	121.2074	0.314	14	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|S<2>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)(H)2{1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.6875	0.532	4	121.2074	0.314	14	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)(H)2{1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	121.3055	0.466	2	121.2074	0.314	14	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)(H)2{1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<4>,2|C<3>,3|H<1>}	119.1500	0.942	2	119.1500	0.887	2	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|N<2>,1|N<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]HH)(H)2{1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	121.3298	0.158	4	121.9800	0.555	19	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]HH)(H)2{1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	121.9450	0.000	1	121.9800	0.555	19	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]HH)(H)2{1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	122.1683	0.771	14	121.9800	0.555	19	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]HH)(H)2{1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	121.2925	0.417	4	121.1744	0.200	5	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]HH)(H)2{1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<4>,2|C<3>,3|H<1>}	120.7020	0.000	1	121.1744	0.200	5	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5a,6]N[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5a,6]N[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)(H)2{1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,3|H<1>}	122.0580	0.000	1	122.0580	0.000	1	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5a,6a]C[4,6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[4,6]CH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[5a,6a]H)(H)	C[6,6a](C[6,6a]C[5a,6a]C[4,6])(C[6a]C[6a]H)(C[6]C[6]HH){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[4,6]CH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[5a,6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	120.1160	0.000	1	120.9505	1.393	2	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5a,6a]C[4,6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[4,6]CH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[5a,6a]H)(H)	C[6,6a](C[6,6a]C[5a,6a]C[4,6])(C[6a]C[6a]H)(C[6]C[6]HH){2|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[4,6]CH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[5a,6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	121.7850	0.000	1	120.9505	1.393	2	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5a,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[5a,6a]H)(H)	C[6,6a](C[6,6a]C[5a,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH){3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[5a,6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	121.6560	0.000	1	121.6560	0.000	1	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6,6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<2>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6,6]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	122.4210	0.000	1	121.0733	1.443	3	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6,6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6,6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.3995	0.402	2	121.0733	1.443	3	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6,6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6,6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,2|C<4>,3|H<1>}	117.8820	0.000	1	117.8820	0.000	1	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CC)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CC)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	118.1680	0.000	1	118.1680	0.000	1	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CC)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,2|O<2>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CC)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<4>,2|C<3>,3|H<1>}	119.6050	0.000	1	119.6050	0.000	1	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	118.8285	0.142	2	118.8285	0.020	2	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,2|C<4>,3|H<1>}	122.7040	0.000	1	122.7040	0.000	1	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|Br<1>,1|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H){1|C<3>,2|C<4>,3|H<1>}	117.7670	0.693	4	117.7670	0.481	4	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,3|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|C<3>,2|C<4>,3|H<1>}	117.8100	0.014	2	118.1902	0.553	41	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,3|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|C<3>,2|H<1>,3|C<4>}	118.4750	0.000	1	118.1902	0.553	41	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,3|H<1>,4|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	118.2510	0.000	1	118.1902	0.553	41	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,3|H<1>,4|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	118.4630	0.419	2	118.1902	0.553	41	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,3|H<1>,4|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|C<3>,2|C<4>,3|H<1>}	118.2058	0.814	33	118.1902	0.553	41	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,3|H<1>,4|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	117.9000	0.000	1	118.1902	0.553	41	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,3|H<1>,4|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){2|C<3>,2|C<4>,2|H<1>}	117.8350	0.000	1	118.1902	0.553	41	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C[5])(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,3|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C[5])(H){1|C<3>,4|C<4>,4|H<1>}	118.5485	0.158	2	118.5485	0.025	2	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<2>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	121.1137	0.543	4	120.0271	2.979	92	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	119.2755	0.507	2	120.0271	2.979	92	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	119.7530	0.054	2	120.0271	2.979	92	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	118.4560	0.000	1	120.0271	2.979	92	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.5070	0.000	1	120.0271	2.979	92	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	118.6080	0.000	1	120.0271	2.979	92	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	119.7707	0.414	6	120.0271	2.979	92	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,3|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,2|C<4>,2|H<1>}	118.0053	0.785	6	120.0271	2.979	92	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,3|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	118.9440	0.000	1	120.0271	2.979	92	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,3|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	119.1023	0.573	7	120.0271	2.979	92	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,3|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	118.6684	0.643	15	120.0271	2.979	92	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,3|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	118.3000	0.000	1	120.0271	2.979	92	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	118.2390	0.000	1	120.0271	2.979	92	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	121.0775	0.223	2	120.0271	2.979	92	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|C<4>,1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.0790	0.000	1	120.0271	2.979	92	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	119.4257	0.597	15	120.0271	2.979	92	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	122.0370	0.279	4	120.0271	2.979	92	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	122.0920	0.000	1	120.0271	2.979	92	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	119.0470	0.000	1	120.0271	2.979	92	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	119.3310	0.000	1	120.0271	2.979	92	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,2|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	119.2260	0.000	1	120.0271	2.979	92	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<2>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	121.4845	0.920	2	120.0271	2.979	92	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	122.0777	0.421	3	120.0271	2.979	92	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	122.1970	0.000	1	120.0271	2.979	92	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|Ni<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	126.2780	0.034	2	120.0271	2.979	92	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|O<2>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	122.7330	0.489	2	120.0271	2.979	92	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|O<2>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	121.7420	0.000	1	120.0271	2.979	92	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	122.2277	0.046	3	120.0271	2.979	92	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	121.9950	0.000	1	120.0271	2.979	92	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	121.8740	0.000	1	120.0271	2.979	92	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	121.6760	0.393	2	120.0271	2.979	92	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]I)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|I<1>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]I)(H){1|C<3>,2|C<4>,3|H<1>}	117.1140	0.000	1	117.1140	0.000	1	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N)(H){1|C<3>,2|C<4>,3|H<1>}	118.0210	0.000	1	119.5795	4.858	2	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N)(H){1|C<4>,2|C<3>,3|H<1>}	121.1380	0.000	1	119.5795	4.858	2	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	118.0445	0.192	2	118.3093	1.457	157	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,2|C<4>,3|H<1>}	118.0891	0.817	131	118.3093	1.457	157	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){2|C<3>,2|C<4>,2|H<1>}	118.9110	0.000	1	118.3093	1.457	157	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,2|C<4>,3|H<1>}	118.8450	0.000	1	118.3093	1.457	157	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,2|C<4>,3|H<1>}	115.5185	0.496	2	118.3093	1.457	157	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<4>,2|C<3>,3|H<1>}	121.8003	0.272	3	118.3093	1.457	157	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<4>,2|C<3>,3|H<1>}	119.1025	1.523	13	118.3093	1.457	157	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|O<2>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<4>,2|C<3>,3|H<1>}	120.8710	0.129	2	118.3093	1.457	157	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){2|C<3>,2|O<2>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<4>,2|C<3>,3|H<1>}	122.2695	0.460	2	118.3093	1.457	157	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HO)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HO)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,2|C<4>,3|H<1>}	117.4230	0.029	3	117.4230	0.001	3	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]SS)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,1|O<2>,2|C<3>,2|H<1>,2|S<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]SS)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	118.5250	0.000	1	118.5250	0.000	1	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,2|S<2>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	118.8890	0.000	1	118.8030	0.076	5	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|S<2>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	118.3930	0.000	1	118.8030	0.076	5	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,3|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	119.1610	0.000	1	118.8030	0.076	5	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,3|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	118.7860	0.000	2	118.8030	0.076	5	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]CH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|N<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]CH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	123.7060	0.000	1	123.7060	0.000	1	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	120.9890	0.000	1	120.7014	1.275	52	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	119.8510	0.000	1	120.7014	1.275	52	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.6634	0.990	13	120.7014	1.275	52	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.0119	0.936	9	120.7014	1.275	52	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|N<2>,1|N<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	121.9115	0.429	2	120.7014	1.275	52	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|N<2>,1|N<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2{1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	122.1040	0.000	1	120.7014	1.275	52	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|N<2>,1|N<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2{1|H<1>,1|S<4>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	121.8060	0.000	1	120.7014	1.275	52	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|N<3>,1|O<2>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.6580	3.171	2	120.7014	1.275	52	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|N<3>,1|O<2>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.6465	0.914	2	120.7014	1.275	52	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|N<3>,1|S<2>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.9540	0.000	1	120.7014	1.275	52	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,2|N<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.8620	1.484	2	120.7014	1.275	52	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,2|N<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2{1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.2590	0.000	1	120.7014	1.275	52	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,2|N<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.7508	1.215	8	120.7014	1.275	52	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,2|N<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.3697	0.952	6	120.7014	1.275	52	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,2|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	119.8520	0.000	1	120.7014	1.275	52	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2{1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	121.5460	0.000	1	120.7014	1.275	52	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2{1|C<4>,1|H<1>,1|S<3>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	119.6313	0.499	3	120.0848	1.129	37	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	120.3651	1.411	8	120.0848	1.129	37	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	119.8841	0.670	14	120.0848	1.129	37	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,2|O<2>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,2|C<4>,3|H<1>}	120.0740	0.166	3	120.0848	1.129	37	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<4>,1|O<2>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	119.1095	0.275	2	120.0848	1.129	37	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<4>,1|O<2>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,2|C<4>,3|H<1>}	119.0740	0.000	1	120.0848	1.129	37	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|N<2>,1|N<3>,1|O<2>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	121.7120	0.000	1	120.0848	1.129	37	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|N<3>,1|O<2>,1|S<2>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,2|C<4>,3|H<1>}	120.2640	0.047	2	120.0848	1.129	37	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2{1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	123.6080	0.000	1	120.0848	1.129	37	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	119.4880	0.000	1	120.0848	1.129	37	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	120.0930	0.000	1	120.0848	1.129	37	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6,6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]H)(C[6]C[6]HH){3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	122.8800	1.032	2	122.8800	1.066	2	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6,6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(C[6]C[6]HH){1|Fe<10>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{1|Fe<10>,1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	118.2620	0.000	1	118.2620	0.000	1	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6,6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(C[6]C[6]HH){3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	121.7365	0.625	4	121.8970	0.422	5	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6,6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(C[6]C[6]HH){3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	122.5390	0.000	1	121.8970	0.422	5	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6,6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2{1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	121.6700	0.502	4	121.6700	0.252	4	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]O)(H)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|O<1>,1|O<2>,4|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)2{3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]O)(H){2|C<3>,2|C<4>,2|H<1>}	117.8857	0.773	3	117.8857	0.598	3	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2{3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.1800	2.243	2	118.7385	4.497	4	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	117.2970	0.386	2	118.7385	4.497	4	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	120.3310	0.000	1	118.9337	1.465	3	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,1|N<2>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	118.2210	0.000	1	118.9337	1.465	3	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	118.2490	0.000	1	118.9337	1.465	3	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	119.7460	0.000	1	119.7460	0.000	1	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]O)(H)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|H<1>,1|O<1>,3|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(H)2{1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]O)(H){2|C<3>,2|C<4>,2|H<1>}	120.8740	0.000	1	120.8740	0.000	1	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CC)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){2|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CC)(H)2{1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|F<1>,2|C<3>,2|H<1>}	122.5370	0.000	1	122.2485	0.166	2	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CC)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CC)(H)2{1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	121.9600	0.000	1	122.2485	0.166	2	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CH)(H)2{1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	121.9120	0.956	3	121.9120	0.914	3	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6a]H)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<2>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6a]H)(H)2{1|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	121.6205	0.343	2	121.6205	0.118	2	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)(H){2|C<4>,2|H<1>,4|C<3>}	123.2530	0.000	1	122.8047	0.167	3	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)(H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	122.5805	0.182	2	122.8047	0.167	3	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|Br<1>,1|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	121.6453	0.753	4	121.4378	0.475	6	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|Br<1>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	121.0230	0.393	2	121.4378	0.475	6	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|C<4>,2|H<1>,3|C<3>}	119.8360	0.328	2	119.8360	0.108	2	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|Br<1>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	123.4590	0.524	4	121.9016	0.815	90	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<2>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	122.5730	0.000	1	121.9016	0.815	90	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<2>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	122.1099	0.569	23	121.9016	0.815	90	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<2>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.9490	0.682	11	121.9016	0.815	90	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	121.7311	0.371	11	121.9016	0.815	90	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|O<2>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.5550	0.341	2	121.9016	0.815	90	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	121.4536	0.513	15	121.9016	0.815	90	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	121.4490	0.000	1	121.9016	0.815	90	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	122.9260	0.113	2	121.9016	0.815	90	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	120.4655	0.118	2	121.9016	0.815	90	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	122.5746	0.925	16	121.9016	0.815	90	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	122.1930	0.041	2	121.9016	0.815	90	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<4>,2|C<3>,3|H<1>}	122.3780	0.000	1	121.9178	1.168	10	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|O<2>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<4>,2|C<3>,3|H<1>}	122.3609	0.609	7	121.9178	1.168	10	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){2|H<1>,2|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.1370	0.597	2	121.9178	1.168	10	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6a]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|N<2>,1|N<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6a]HH)(H)2{1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	121.5620	0.000	1	121.5620	0.000	1	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	124.7050	0.918	5	125.0325	1.318	6	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|Co<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	126.6700	0.000	1	125.0325	1.318	6	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6,6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	124.9360	0.000	1	124.9360	0.000	1	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6,6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)2{1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	121.9970	0.177	2	121.9970	0.031	2	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]C[6,6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CC)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]H)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6,6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CC)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	117.3210	0.000	1	117.3210	0.000	1	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]H)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]HH){3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	121.3387	0.906	3	121.3387	0.821	3	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]H)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	118.0195	1.159	2	118.0195	1.343	2	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]H)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,2|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	118.4360	0.000	1	121.5693	2.215	10	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]H)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	121.9226	1.136	8	121.5693	2.215	10	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]H)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	121.8760	0.000	1	121.5693	2.215	10	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HI)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]H)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|I<1>,1|O<2>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HI)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	120.6230	0.000	1	120.6230	0.000	1	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]H)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H)2{1|C<4>,1|S<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	119.4775	0.610	2	119.4775	0.372	2	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HS)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]H)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<2>,1|S<2>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HS)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	119.5170	0.379	2	119.5170	0.144	2	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]C[6a])(H)	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]C[6a])(H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	118.5150	0.000	1	118.5150	0.000	1	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.8480	0.000	1	120.8480	0.000	1	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<4>,2|C<3>,3|H<1>}	119.6130	0.000	1	119.6130	0.000	1	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3x6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3x6]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	121.2370	0.017	2	121.2370	0.000	2	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3x6]O[6]C)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3x6]O[6]C)(H)2{1|H<1>,3|C<3>,3|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|C<4>,2|C<3>,3|H<1>}	122.6980	0.000	1	122.6980	0.000	1	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,5,6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,5,6]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	121.0970	0.000	1	121.0970	0.000	1	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{1|C<4>,1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.5145	0.173	2	120.8259	1.012	21	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.5260	0.262	2	120.8259	1.012	21	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	119.4225	0.964	2	120.8259	1.012	21	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{1|C<4>,1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.8285	0.618	4	120.8259	1.012	21	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{1|H<1>,1|N<3>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	121.8630	0.291	2	120.8259	1.012	21	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	121.1042	0.399	6	120.8259	1.012	21	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<3>,3|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.9177	2.263	3	120.8259	1.012	21	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<4>,2|C<3>,3|H<1>}	120.9340	0.000	1	121.2680	0.223	2	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{1|H<1>,1|O<2>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<4>,2|C<3>,3|H<1>}	121.6020	0.000	1	121.2680	0.223	2	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6]H)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,1|W<7>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6]H)(H)2{1|C<4>,1|W<7>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.2590	0.000	1	121.2590	0.000	1	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]N[6]H)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,2|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]N[6]H)(H)2{1|C<4>,1|N<2>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	119.7490	0.000	1	119.7490	0.000	1	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]N[6]H)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,2|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]N[6]H)(H)2{1|C<4>,1|N<2>,1|S<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	119.4480	0.656	5	119.4480	0.431	5	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]N[6]H)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]N[6]H)(H)2{1|C<4>,1|N<2>,1|S<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	118.9240	0.000	1	118.9240	0.000	1	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,2|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(H)2{1|C<4>,1|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	119.9170	0.000	1	119.9170	0.000	1	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.5345	0.026	2	120.8745	0.666	12	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|C<4>,1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	121.2002	0.601	4	120.8745	0.666	12	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|C<4>,1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	121.6645	0.131	2	120.8745	0.666	12	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.8037	0.418	3	120.8745	0.666	12	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	118.8840	0.000	1	120.8745	0.666	12	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]F)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|F<1>,1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]F)(H){1|C<4>,2|C<3>,3|H<1>}	119.1480	0.000	1	119.1480	0.000	1	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<2>,1|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)2{3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	120.2380	0.000	1	120.2799	1.104	10	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)2{1|H<1>,1|O<2>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	121.0145	0.566	2	120.2799	1.104	10	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.2110	0.629	3	120.2799	1.104	10	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	120.8380	0.000	1	120.2799	1.104	10	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)2{1|H<1>,1|O<2>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.7170	0.034	2	120.2799	1.104	10	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){2|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	117.6270	0.000	1	120.2799	1.104	10	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,1|O<1>,1|O<2>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)2{3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<4>,2|H<1>,3|C<3>}	119.8610	0.000	1	119.8610	0.000	1	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<2>,1|C<3>,1|C<4>,1|N<2>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	119.4200	0.000	1	120.1397	0.737	15	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2{3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.1890	0.635	2	120.1397	0.737	15	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	120.3440	0.000	1	120.1397	0.737	15	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2{1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.3370	0.000	1	120.1397	0.737	15	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,3|H<1>,4|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	118.8820	0.952	2	120.1397	0.737	15	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,1|N<2>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	119.6290	0.000	1	120.1397	0.737	15	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2{1|H<1>,1|O<2>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.1333	0.717	4	120.1397	0.737	15	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2{3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.8050	0.000	1	120.1397	0.737	15	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2{1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	121.3400	0.000	1	120.1397	0.737	15	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|Mo<7>,1|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2{1|Mo<7>,1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.5460	0.000	1	120.1397	0.737	15	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	118.8090	0.000	1	119.3520	0.590	2	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	119.8950	0.000	1	119.3520	0.590	2	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[5a]N[6a])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<2>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[5a]N[6a])(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	120.3535	0.131	2	120.3535	0.017	2	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)(H){2|H<1>,3|C<3>,3|C<4>}	118.4450	0.000	1	118.6950	0.125	2	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){2|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)(H){2|C<4>,3|C<3>,3|H<1>}	118.9450	0.000	1	118.6950	0.125	2	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|Br<1>,1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H){1|C<4>,2|C<3>,3|H<1>}	120.2400	0.774	2	120.2400	0.598	2	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|C<4>,2|C<3>,3|H<1>}	121.1345	1.118	2	120.5948	0.942	5	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|C<3>,2|C<4>,3|H<1>}	119.4120	0.000	1	120.5948	0.942	5	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|C<4>,2|C<3>,3|H<1>}	121.1610	0.000	1	120.5948	0.942	5	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,2|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|C<3>,2|C<4>,3|H<1>}	120.1320	0.000	1	120.5948	0.942	5	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|Cl<1>,1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|F<1>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H){1|C<4>,2|C<3>,3|H<1>}	119.9660	0.000	1	119.1675	0.407	4	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|Cl<1>,1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H){1|C<3>,2|C<4>,3|H<1>}	118.7370	0.455	2	119.1675	0.407	4	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|Cl<1>,1|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H){1|C<3>,2|C<4>,3|H<1>}	119.2300	0.000	1	119.1675	0.407	4	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]F)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|F<1>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]F)(H){1|C<3>,2|C<4>,3|H<1>}	116.7830	0.000	1	116.7830	0.000	1	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|Br<1>,1|C<3>,1|C<4>,1|N<2>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	121.7620	0.000	1	120.3987	1.901	247	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<2>,1|C<3>,1|C<4>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.9240	0.000	1	120.3987	1.901	247	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|F<1>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.9640	0.000	1	120.3987	1.901	247	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<2>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	118.6930	0.921	2	120.3987	1.901	247	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<2>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	119.6540	0.380	5	120.3987	1.901	247	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<2>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.9689	0.521	8	120.3987	1.901	247	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<2>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	119.2520	0.000	1	120.3987	1.901	247	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<2>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	119.8908	0.645	5	120.3987	1.901	247	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<2>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	119.9280	0.000	1	120.3987	1.901	247	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	121.7512	0.157	4	120.3987	1.901	247	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|F<1>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.4897	0.566	3	120.3987	1.901	247	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	119.6387	0.579	24	120.3987	1.901	247	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	122.9710	0.000	1	120.3987	1.901	247	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	119.7447	1.105	3	120.3987	1.901	247	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	119.6780	0.000	1	120.3987	1.901	247	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	119.8993	0.920	3	120.3987	1.901	247	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<4>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	119.1850	0.000	1	120.3987	1.901	247	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|F<1>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.6210	0.143	2	120.3987	1.901	247	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.1510	0.000	1	120.3987	1.901	247	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|N<4>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	121.0350	0.000	1	120.3987	1.901	247	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	119.8920	0.000	1	120.3987	1.901	247	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.9025	0.395	4	120.3987	1.901	247	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.6968	0.651	9	120.3987	1.901	247	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	122.1660	0.626	2	120.3987	1.901	247	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.8908	0.497	13	120.3987	1.901	247	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|Cl<1>,1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	122.2180	0.000	1	120.3987	1.901	247	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|F<1>,1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.7415	0.121	2	120.3987	1.901	247	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|F<1>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	120.6260	0.000	1	120.3987	1.901	247	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	121.2420	0.000	1	120.3987	1.901	247	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	121.2280	0.000	1	120.3987	1.901	247	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.7350	0.001	2	120.3987	1.901	247	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|Se<2>,1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.5250	0.266	2	120.3987	1.901	247	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{2|Cl<1>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	120.1840	0.000	1	120.3987	1.901	247	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.5075	0.052	2	120.3987	1.901	247	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	121.8330	0.000	1	120.3987	1.901	247	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	121.0780	0.978	4	120.3987	1.901	247	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<1>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	119.0740	0.000	1	120.3987	1.901	247	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	119.3590	0.620	4	120.3987	1.901	247	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	119.2095	1.602	2	120.3987	1.901	247	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|N<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	119.7590	0.000	1	120.3987	1.901	247	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|P<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.6500	0.000	1	120.3987	1.901	247	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|Cl<1>,1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	118.6620	0.000	1	120.3987	1.901	247	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	119.6690	0.270	2	120.3987	1.901	247	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,2|B<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	118.6130	0.000	1	120.3987	1.901	247	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,6|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.0710	0.000	1	120.3987	1.901	247	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,6|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	120.5970	0.000	1	120.3987	1.901	247	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,6|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	119.4460	0.000	1	120.3987	1.901	247	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|N<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	117.0995	0.535	2	120.3987	1.901	247	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	120.1980	0.000	1	120.3987	1.901	247	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.3490	0.904	2	120.3987	1.901	247	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	119.6230	0.000	1	120.3987	1.901	247	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	120.2140	0.000	1	120.3987	1.901	247	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	118.5530	0.214	5	120.3987	1.901	247	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|H<1>,2|C<3>,3|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	118.6685	0.432	2	120.3987	1.901	247	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	122.7330	0.315	3	120.3987	1.901	247	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.3010	0.092	2	120.3987	1.901	247	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	121.9960	0.000	1	120.3987	1.901	247	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	119.2950	0.000	1	120.3987	1.901	247	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	118.8560	0.494	3	120.3987	1.901	247	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.0763	1.202	8	120.3987	1.901	247	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	121.6495	0.088	2	120.3987	1.901	247	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	122.9990	0.000	1	120.3987	1.901	247	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	118.9147	0.160	3	120.3987	1.901	247	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	118.9990	0.000	1	120.3987	1.901	247	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,2|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.6980	0.000	1	120.3987	1.901	247	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,2|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	119.7030	0.000	1	120.3987	1.901	247	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,2|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|P<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	119.7250	0.000	1	120.3987	1.901	247	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,2|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	118.4042	0.646	6	120.3987	1.901	247	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,2|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	118.9817	0.811	9	120.3987	1.901	247	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,2|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|P<4>,2|C<4>,2|H<1>}	119.4322	0.653	4	120.3987	1.901	247	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,2|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	117.8220	0.000	1	120.3987	1.901	247	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,2|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.3080	0.000	1	120.3987	1.901	247	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,2|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|H<1>,1|N<2>,2|C<3>,2|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	119.3380	0.000	1	120.3987	1.901	247	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	124.1920	0.000	1	120.3987	1.901	247	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	122.6400	0.000	1	120.3987	1.901	247	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,2|C<2>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	119.6190	0.000	1	120.3987	1.901	247	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	119.0730	0.000	1	120.3987	1.901	247	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|Cl<1>,1|C<3>,1|C<4>,1|N<2>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.9460	0.000	1	120.3987	1.901	247	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|Cl<1>,1|C<3>,1|C<4>,1|N<2>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	121.8820	0.000	1	120.3987	1.901	247	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|Cl<1>,1|C<3>,1|C<4>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	118.7970	0.000	1	120.3987	1.901	247	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|Cl<1>,1|C<3>,1|C<4>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	119.7240	0.000	1	120.3987	1.901	247	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	121.7140	0.000	1	120.3987	1.901	247	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|H<1>,1|S<4>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	122.9180	0.305	2	120.3987	1.901	247	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|O<1>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	121.0190	0.000	1	120.3987	1.901	247	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|O<1>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	121.8141	0.525	9	120.3987	1.901	247	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	119.0166	0.271	5	120.3987	1.901	247	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|O<2>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	122.2146	0.485	13	120.3987	1.901	247	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|O<2>,2|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	121.0630	0.000	1	120.3987	1.901	247	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|O<2>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	121.9140	0.000	1	120.3987	1.901	247	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	123.9410	0.000	1	120.3987	1.901	247	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	118.0940	0.000	1	120.3987	1.901	247	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){2|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	122.7580	0.000	1	120.3987	1.901	247	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	123.1555	0.095	2	120.3987	1.901	247	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	123.1400	0.000	1	120.3987	1.901	247	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	121.7370	0.358	2	120.3987	1.901	247	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|H<1>,1|P<4>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	122.0840	0.000	1	120.3987	1.901	247	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	122.0320	0.000	1	120.3987	1.901	247	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]I)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|I<1>,1|O<1>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]I)(H){1|C<4>,2|C<3>,3|H<1>}	120.5840	0.000	1	120.5840	0.000	1	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<2>,1|O<2>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<4>,2|C<3>,3|H<1>}	119.8370	0.751	2	119.4569	0.735	17	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<2>,1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,2|C<4>,3|H<1>}	118.9800	0.000	1	119.4569	0.735	17	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|H<1>,1|S<2>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	119.2950	0.000	1	119.4569	0.735	17	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{2|Cl<1>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<4>,2|C<3>,3|H<1>}	119.0925	0.234	2	119.4569	0.735	17	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,2|H<1>,3|C<4>}	118.5250	0.000	1	119.4569	0.735	17	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,2|C<4>,3|H<1>}	118.1430	0.000	1	119.4569	0.735	17	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<4>,2|C<3>,3|H<1>}	118.3770	0.000	1	119.4569	0.735	17	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<4>,2|C<3>,3|H<1>}	119.8260	1.239	3	119.4569	0.735	17	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<4>,2|C<3>,3|H<1>}	119.7763	0.307	4	119.4569	0.735	17	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,2|C<4>,3|H<1>}	121.0060	0.000	1	119.4569	0.735	17	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	119.2110	0.000	1	119.7563	0.225	3	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<4>,1|O<2>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	119.9810	0.000	1	119.7563	0.225	3	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.0770	0.000	1	119.7563	0.225	3	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.2110	0.000	1	119.6657	0.256	32	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	119.6612	0.515	29	119.6657	0.256	32	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	119.7290	0.000	1	119.6657	0.256	32	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|Cl<1>,1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H)2{1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	119.1890	0.000	1	119.6657	0.256	32	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(H)2{2|C<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	119.4090	0.000	1	119.4090	0.000	1	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)2{1|H<1>,1|O<2>,6|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.6370	0.000	1	120.3565	0.157	2	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)2{1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	120.0760	0.000	1	120.3565	0.157	2	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]N[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<2>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)2{1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]N[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	120.7610	0.000	1	120.7610	0.000	1	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H)2{1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	119.3155	0.762	2	121.8486	3.242	9	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H)2{2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	123.3825	0.704	2	121.8486	3.242	9	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H)2{2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	122.0955	0.730	2	121.8486	3.242	9	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H)2{1|C<4>,1|H<1>,1|S<4>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	121.6030	0.000	1	121.8486	3.242	9	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,2|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H)2{1|C<4>,1|H<1>,1|S<4>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	122.7235	2.252	2	121.8486	3.242	9	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]H)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]H)(H)2{1|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	123.1780	0.000	1	123.1780	0.000	1	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CC)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CC)(H)2{1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	121.6960	0.000	1	122.6801	0.303	8	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CC)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CC)(H)2{2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	122.5680	0.000	1	122.6801	0.303	8	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CC)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CC)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	123.2170	0.000	1	122.6801	0.303	8	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CC)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,2|C<4>,2|H<1>,2|N<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CC)(H)2{2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	122.6115	0.213	4	122.6801	0.303	8	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CC)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CC)(H)2{1|H<1>,1|O<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	123.5140	0.000	1	122.6801	0.303	8	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)2{1|H<1>,1|S<4>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|C<4>,2|C<3>,3|H<1>}	121.5300	0.000	1	121.5300	0.000	1	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)2{1|H<1>,1|S<4>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	122.8620	0.000	1	121.7484	2.930	19	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)2{2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	121.9163	0.500	4	121.7484	2.930	19	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.1750	0.522	2	121.7484	2.930	19	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<4>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)2{1|H<1>,2|C<3>,3|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.2190	0.000	1	121.7484	2.930	19	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)2{1|Pd<4>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	124.7310	0.000	1	121.7484	2.930	19	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<2>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)2{1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	121.6690	0.000	1	121.7484	2.930	19	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,2|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	123.7285	0.320	4	121.7484	2.930	19	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,2|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	119.4713	1.058	3	121.7484	2.930	19	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<4>,2|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.3480	0.000	1	121.7484	2.930	19	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){2|C<3>,2|N<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)2{2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	121.0470	0.000	1	121.7484	2.930	19	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|N<4>,2|C<4>,2|H<1>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){2|C<3>,2|C<4>,2|H<1>}	119.1495	0.040	2	119.9614	2.185	19	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,1|N<2>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)2{1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	122.7260	0.305	2	119.9614	2.185	19	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	119.4990	0.206	2	119.9614	2.185	19	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	119.3750	0.083	2	119.9614	2.185	19	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	122.7820	0.000	1	119.9614	2.185	19	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)2{1|H<1>,1|O<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	122.3920	0.000	1	119.9614	2.185	19	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	118.9673	0.230	4	119.9614	2.185	19	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	119.3663	0.889	3	119.9614	2.185	19	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<4>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	119.3130	0.000	2	119.9614	2.185	19	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<2>,1|C<3>,1|N<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.0328	1.027	4	121.2011	2.191	80	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<2>,1|C<3>,1|N<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.1190	0.000	1	121.2011	2.191	80	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	122.1730	0.000	1	121.2011	2.191	80	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.2000	1.689	14	121.2011	2.191	80	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.1867	0.547	6	121.2011	2.191	80	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<4>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	119.6660	0.000	1	121.2011	2.191	80	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|N<3>,1|O<1>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	123.2250	0.367	3	121.2011	2.191	80	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|N<3>,1|O<1>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	122.2790	0.000	1	121.2011	2.191	80	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|N<3>,1|O<2>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.3410	0.000	1	121.2011	2.191	80	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|N<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	123.7906	0.815	5	121.2011	2.191	80	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|N<3>,6|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.9860	0.000	1	121.2011	2.191	80	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|N<3>,6|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.6427	0.210	3	121.2011	2.191	80	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|N<3>,6|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.6244	1.950	8	121.2011	2.191	80	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|N<3>,6|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.4652	0.419	5	121.2011	2.191	80	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|N<4>,6|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.9110	0.000	1	121.2011	2.191	80	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,2|N<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	122.5650	0.000	1	121.2011	2.191	80	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,2|N<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.6977	0.165	3	121.2011	2.191	80	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,2|N<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.2860	0.000	1	121.2011	2.191	80	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,2|N<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.5070	0.000	1	121.2011	2.191	80	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.1200	0.000	1	121.2011	2.191	80	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,2|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.3195	0.233	2	121.2011	2.191	80	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,2|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.2430	0.000	1	121.2011	2.191	80	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,2|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	119.8065	0.101	2	121.2011	2.191	80	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,2|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.2092	0.824	6	121.2011	2.191	80	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,2|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	124.3600	0.000	1	121.2011	2.191	80	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,2|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.0610	0.000	1	121.2011	2.191	80	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,2|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.0630	0.529	2	121.2011	2.191	80	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.5330	0.000	1	121.2011	2.191	80	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<4>,2|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	119.1415	0.202	2	121.2011	2.191	80	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<2>,1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	121.0950	0.688	4	120.4617	1.570	79	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<2>,1|C<3>,1|N<3>,1|O<2>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	119.8700	0.774	4	120.4617	1.570	79	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<2>,1|C<3>,1|N<3>,1|O<2>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	120.7670	0.000	1	120.4617	1.570	79	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<2>,1|O<2>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	122.6250	0.000	1	120.4617	1.570	79	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	121.4250	0.000	1	120.4617	1.570	79	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,1|S<3>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	119.5370	0.000	1	120.4617	1.570	79	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	119.5237	0.407	6	120.4617	1.570	79	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	119.5490	0.733	2	120.4617	1.570	79	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	119.7292	0.383	6	120.4617	1.570	79	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,2|O<2>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	119.3815	1.107	2	120.4617	1.570	79	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<4>,1|O<2>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|H<1>,2|C<3>,3|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	119.2670	0.000	1	120.4617	1.570	79	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|N<2>,1|O<2>,1|S<2>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	123.5530	0.000	1	120.4617	1.570	79	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	121.7520	0.000	1	120.4617	1.570	79	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|N<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	120.8510	0.000	1	120.4617	1.570	79	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|N<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	119.2080	0.000	1	120.4617	1.570	79	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|N<3>,1|O<2>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	120.9820	0.000	1	120.4617	1.570	79	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|N<3>,1|O<2>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	119.9375	1.281	2	120.4617	1.570	79	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|N<3>,1|O<2>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,2|C<4>,3|H<1>}	120.8920	0.000	1	120.4617	1.570	79	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|N<3>,2|O<2>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	122.9380	0.000	1	120.4617	1.570	79	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|N<4>,1|O<2>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	120.1730	0.037	2	120.4617	1.570	79	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,2|N<3>,2|O<2>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	119.3290	0.000	1	120.4617	1.570	79	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	120.0710	0.000	1	120.4617	1.570	79	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<2>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	122.4130	0.000	1	120.4617	1.570	79	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|Au<4>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	123.1390	0.000	1	120.4617	1.570	79	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	119.8380	0.000	1	120.4617	1.570	79	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	119.8290	0.000	1	120.4617	1.570	79	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	119.7155	0.210	2	120.4617	1.570	79	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,2|C<4>,3|H<1>}	120.7295	1.428	27	120.4617	1.570	79	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	119.6640	0.000	1	120.4617	1.570	79	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	120.6033	0.502	3	120.4617	1.570	79	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(H)2{1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	123.2175	0.289	2	122.2132	1.642	16	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<1>,2|H<1>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(H)2{1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	122.9096	0.875	7	122.2132	1.642	16	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.9178	0.858	6	122.2132	1.642	16	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(H)2{1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	123.1020	0.000	1	122.2132	1.642	16	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|H<1>,1|O<1>,3|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(H)2{1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	122.2870	0.000	1	122.2239	0.061	13	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|H<1>,1|O<1>,3|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(H)2{1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<4>,2|C<3>,3|H<1>}	122.1711	0.135	9	122.2239	0.061	13	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|H<1>,1|O<1>,3|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(H)2{1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){2|C<3>,2|C<4>,2|H<1>}	122.6225	0.296	2	122.2239	0.061	13	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|O<1>,2|C<3>,2|H<1>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(H)2{1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	121.8390	0.000	1	122.2239	0.061	13	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CO)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<1>,2|H<1>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CO)(H)2{1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	122.4320	0.000	1	122.4320	0.000	1	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.9280	0.000	1	121.2481	0.684	12	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|N<3>,1|O<2>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.6660	0.000	1	121.2481	0.684	12	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,2|O<2>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.5615	0.239	4	121.2481	0.684	12	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|O<2>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]HH)(H)2{1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<2>,1|C<4>,2|C<3>,2|H<1>}	123.4210	0.000	1	121.2481	0.684	12	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|O<2>,2|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.8718	0.253	4	121.2481	0.684	12	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|O<2>,2|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	120.2290	0.000	1	121.2481	0.684	12	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){2|C<3>,2|O<2>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	119.8137	0.584	3	119.8137	0.341	3	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]HO)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|O<1>,2|O<2>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]HO)(H)2{1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	122.9840	0.000	1	122.9840	0.000	1	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]B[5]C[6]H)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|B<3>,1|C<4>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]B[5]C[6]H)(H)2{1|N<3>,2|H<1>,2|O<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	119.6250	0.000	1	119.6250	0.000	1	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]B[5]C[6]H)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|B<3>,1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]B[5]C[6]H)(H)2{1|N<3>,2|H<1>,2|O<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	122.7790	0.000	1	122.7790	0.000	1	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|Br<1>,1|H<1>,2|C<4>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)2{1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	121.3600	0.000	1	121.3600	0.000	1	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]F)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<2>,1|C<4>,1|F<1>,1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)2{1|H<1>,1|N<2>,1|O<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]F)(H){1|C<3>,1|C<4>,1|N<2>,3|H<1>}	122.7340	0.000	1	122.7340	0.000	1	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,1|S<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	118.6030	0.000	1	121.0697	2.185	8	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)2{1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.6650	0.249	2	121.0697	2.185	8	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH){2|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)2{1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	122.7850	0.000	1	121.0697	2.185	8	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH){2|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)2{1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	122.5320	0.215	2	121.0697	2.185	8	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH){2|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)2{1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.3880	0.792	2	121.0697	2.185	8	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|Br<1>,1|C<4>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2{1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.5260	0.000	1	120.5260	0.000	1	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]F)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,1|F<1>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2{1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]F)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	119.5430	0.000	1	119.5430	0.000	1	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2{1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	119.0490	0.000	1	119.0490	0.000	1	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2{1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	121.3940	0.000	1	121.3940	0.000	1	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CN)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]F)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|F<1>,1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CN)(H)2{1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]F)(H){1|C<3>,1|C<4>,1|F<1>,1|N<3>,2|H<1>}	123.3690	0.000	1	123.3690	0.000	1	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CN)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CN)(H)2{1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	121.1680	0.000	1	121.1680	0.000	1	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|Br<1>,1|C<3>,1|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	122.5020	0.000	1	122.5020	0.000	1	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<2>,1|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	121.2333	0.709	3	121.5195	0.662	4	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	122.3780	0.000	1	121.5195	0.662	4	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C[5])(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C[5])(H){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	121.0295	0.556	2	121.0295	0.310	2	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|Cl<1>,1|C<4>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	125.2040	0.000	1	123.7893	1.514	3	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|Cl<1>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	123.0820	0.158	2	123.7893	1.514	3	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]F)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,1|F<1>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]F)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	125.3815	0.726	2	125.3815	0.527	2	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|P<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	119.1590	0.000	1	122.4683	4.484	48	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|S<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	124.6530	0.223	2	122.4683	4.484	48	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|S<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	119.9032	0.571	4	122.4683	4.484	48	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|S<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	124.1050	0.000	1	122.4683	4.484	48	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.5300	0.000	1	122.4683	4.484	48	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|N<3>}	121.9827	0.506	3	122.4683	4.484	48	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,6|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|N<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<4>,3|H<1>}	121.2285	0.732	2	122.4683	4.484	48	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|P<4>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	118.1150	0.000	1	122.4683	4.484	48	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.1060	0.000	1	122.4683	4.484	48	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	122.1810	0.000	1	122.4683	4.484	48	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	124.1170	0.000	1	122.4683	4.484	48	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	121.4480	0.000	1	122.4683	4.484	48	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	122.8500	0.000	1	122.4683	4.484	48	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	122.3728	1.357	6	122.4683	4.484	48	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|Ir<4>,1|C<3>,1|C<4>,1|P<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	121.8810	0.000	1	122.4683	4.484	48	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	122.7780	0.000	1	122.4683	4.484	48	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|Pd<4>,1|C<4>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.0835	1.180	2	122.4683	4.484	48	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	119.0155	0.117	2	122.4683	4.484	48	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH){2|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	124.8418	0.450	13	122.4683	4.484	48	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH){3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	122.8347	0.610	3	122.4683	4.484	48	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	122.3970	0.000	1	122.3970	0.000	1	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|O<2>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	123.2300	0.000	1	123.2300	0.000	1	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(H)2{1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.8970	0.000	1	120.7420	0.048	2	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(H)2{1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.5870	0.000	1	120.7420	0.048	2	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HS)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|S<2>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HS)(H)2{1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,3|H<1>}	121.1310	0.000	1	120.9550	0.062	2	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HS)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|S<2>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HS)(H)2{1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.7790	0.000	1	120.9550	0.062	2	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]SiH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|Br<1>,1|Si<3>,1|C<3>,1|C<4>,1|S<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]SiH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	118.7750	0.000	1	118.2663	0.217	3	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]SiH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|Br<1>,1|Si<4>,1|C<3>,1|C<4>,1|S<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]SiH)(H)2{1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	118.0120	0.215	2	118.2663	0.217	3	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]N)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,1|S<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]N)(H)2{1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	122.6200	0.000	1	122.6200	0.000	1	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	121.9300	0.000	1	121.9300	0.000	1	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	121.9905	0.141	2	122.6129	0.327	12	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|S<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	121.8930	0.117	2	122.6129	0.327	12	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	122.9485	0.348	8	122.6129	0.327	12	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CH)(H)2{1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	122.5820	0.013	2	122.5820	0.000	2	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	122.3380	0.000	1	122.2055	0.035	2	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	122.0730	0.000	1	122.2055	0.035	2	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	121.0100	0.000	1	121.0100	0.000	1	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)2{1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.7220	0.000	1	122.5605	6.760	2	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	124.3990	0.000	1	122.5605	6.760	2	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	123.9240	0.000	1	123.9240	0.000	1	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	125.1070	0.000	1	125.1070	0.000	1	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	121.6355	0.684	2	121.6325	0.295	4	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	121.6295	0.646	2	121.6325	0.295	4	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]F)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|F<1>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]F)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	121.4332	0.463	6	121.4284	0.179	7	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]F)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|F<1>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]F)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	121.4000	0.000	1	121.4284	0.179	7	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	122.5220	0.000	1	122.8407	0.174	3	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	123.3130	0.000	1	122.8407	0.174	3	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	122.6870	0.000	1	122.8407	0.174	3	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]I)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|I<2>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]I)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	121.3405	0.542	2	121.3405	0.294	2	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	121.4370	0.000	1	121.6109	0.702	7	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	122.0480	0.000	1	121.6109	0.702	7	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.8510	0.000	1	121.6109	0.702	7	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	121.2067	0.044	3	121.6109	0.702	7	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	123.3200	0.000	1	121.6109	0.702	7	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HI)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|Cl<1>,1|C<3>,1|C<4>,1|I<1>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HI)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	121.0030	0.000	1	121.0030	0.000	1	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(H)2{1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	122.5540	0.000	1	121.5720	1.929	2	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(H)2{1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.5900	0.000	1	121.5720	1.929	2	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<2>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H)2{1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.0890	0.262	2	121.1363	1.507	4	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	122.3630	0.000	1	121.1363	1.507	4	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	122.0040	0.000	1	121.1363	1.507	4	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H)2{1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	121.8320	0.000	1	121.8320	0.000	1	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HS)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|Br<1>,1|C<3>,1|C<4>,1|S<2>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HS)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	121.8920	0.000	1	121.8920	0.000	1	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]SeH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|Se<2>,1|C<3>,1|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]SeH)(H)2{1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	121.8750	0.000	1	121.8750	0.000	1	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(H)2{1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	123.6090	0.000	1	123.6090	0.000	1	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)2{1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	122.1085	0.473	2	122.1085	0.224	2	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]HH){2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|H<1>,1|S<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|S<2>,3|H<1>}	122.5415	0.798	2	122.5415	0.637	2	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(H)2{1|S<2>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|S<2>,3|H<1>}	118.5590	0.345	2	118.5590	0.119	2	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N[6]H)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,2|O<1>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N[6]H)(H)2{1|S<4>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|S<4>,3|H<1>}	119.4240	0.267	2	119.4240	0.071	2	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,2|C<3>,2|O<1>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H)2{1|S<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|S<4>,3|H<1>}	119.7050	0.000	1	119.7050	0.000	1	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|N<2>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(H)2{1|H<1>,1|S<4>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|S<4>,3|H<1>}	120.2430	0.000	1	120.2430	0.000	1	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[5]H)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[5]H)(H)2{1|N<2>,1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	121.4500	0.000	1	121.4500	0.000	1	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	119.8100	0.000	1	121.4785	5.568	2	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	123.1470	0.000	1	121.4785	5.568	2	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CC)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CC)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	120.4150	0.890	2	120.4150	0.791	2	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CC)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N)(H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<2>,1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CC)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	119.4120	0.000	1	119.4120	0.000	1	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|Br<1>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CH)(H)2{1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	119.0710	0.000	1	119.0710	0.000	1	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CH)(H)2{1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	119.8300	0.000	1	119.8300	0.000	1	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|H<1>,2|C<3>,2|N<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	123.4470	0.000	1	123.4470	0.000	1	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<2>,2|C<4>,3|H<1>}	120.4140	0.000	1	121.0199	1.378	10	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	120.7560	0.570	4	121.0199	1.378	10	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<2>,1|N<3>,2|C<4>,2|H<1>}	120.3290	0.000	1	121.0199	1.378	10	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){2|C<4>,2|H<1>,2|N<2>}	120.9290	0.123	2	121.0199	1.378	10	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|N<2>,2|C<4>,2|H<1>}	120.4080	0.000	1	121.0199	1.378	10	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|N<2>,2|H<1>}	124.1660	0.000	1	121.0199	1.378	10	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CC)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CC)(H)2{1|C<3>,1|H<1>,1|N<2>,2|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	125.2430	0.000	1	125.2430	0.000	1	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|S<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	122.5060	0.000	1	122.5060	0.000	1	120.4750	3.096	1658	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:N[5a,6a]-3:H-1:	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]N[5a,6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(N[5a,6a]C[5a,6a]2)(H)	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]N[5a,6a]H)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,1|N<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(N[5a,6a]C[5a,6a]2)(H){2|C<3>,2|C<4>,2|H<1>,2|N<2>}	120.9960	0.000	1	120.9960	0.000	1	120.9960	0.000	1	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:N[6a]-3:O-1:	C[6,6a](C[6,6a]N[6a]O[6])(C[6a]N[6a]O)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]C)(O)	C[6,6a](C[6,6a]N[6a]O[6])(C[6a]N[6a]O)(C[6]C[6]HH){1|C<3>,1|H<1>,4|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2{1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|N<3>}	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]C)(O){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	120.2330	0.000	1	120.2330	0.000	1	120.2330	0.000	1	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6a,6a]-3:C[6,6a]-3:Br-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]Br)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(Br)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]Br)(C[6]C[6]HH){1|N<3>,2|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|Br<1>,1|C<4>,1|S<4>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(Br){2|C<4>,3|C<3>,3|H<1>}	122.4556	0.519	5	122.4556	0.269	5	122.4556	0.269	5	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6a,6a]-3:C[6,6a]-3:Cl-1:	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]Cl)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(Cl)	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]Cl)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|Cl<1>,1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(Cl){1|N<2>,2|C<3>,2|C<4>,3|H<1>}	123.0620	0.000	1	123.0620	0.000	1	123.0620	0.000	1	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6a,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a,6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]SiH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a,6a]H)(C[6]C[6]HH){1|Si<4>,1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]SiH)(H)2{1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	121.0700	0.000	1	121.0700	0.000	1	122.1066	2.266	34	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6a,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a,6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(H)	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a,6a]H)(C[6]C[6]HH){1|N<2>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(H){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	123.1585	0.438	2	123.4684	0.515	11	122.1066	2.266	34	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6a,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a,6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(H)	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a,6a]H)(C[6]C[6]HH){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(H){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	123.6082	0.789	8	123.4684	0.515	11	122.1066	2.266	34	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6a,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a,6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(H)	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a,6a]H)(C[6]C[6]HH){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{1|H<1>,2|C<3>,2|N<2>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(H){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	122.9690	0.000	1	123.4684	0.515	11	122.1066	2.266	34	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6a,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6]HH){1|B<4>,1|C<4>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(H){2|C<4>,3|C<3>,3|H<1>}	120.7860	0.000	1	119.2257	2.307	3	122.1066	2.266	34	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6a,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6]HH){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(H){2|C<4>,2|H<1>,4|C<3>}	117.7520	0.000	1	119.2257	2.307	3	122.1066	2.266	34	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6a,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6]HH){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(H){2|C<4>,3|C<3>,3|H<1>}	119.1390	0.000	1	119.2257	2.307	3	122.1066	2.266	34	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6a,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6]HH){1|C<4>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)2{1|C<4>,1|H<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(H){2|C<4>,3|C<3>,3|H<1>}	119.7030	0.000	1	119.7030	0.000	1	122.1066	2.266	34	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6a,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6]HH){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)2{2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(H){1|C<4>,3|H<1>,4|C<3>}	122.4380	0.512	2	122.4380	0.262	2	122.1066	2.266	34	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6a,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]HH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6]HH){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]HH)(H)2{1|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(H){1|C<4>,3|H<1>,4|C<3>}	123.0520	0.146	2	123.0520	0.021	2	122.1066	2.266	34	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6a,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a,6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6])(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a,6a]H)(C[6]C[6]HH){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6])(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>,2|O<2>}	121.2460	0.594	2	121.2460	0.353	2	122.1066	2.266	34	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6a,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a,6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a,6a]H)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	122.2595	0.334	2	122.2595	0.112	2	122.1066	2.266	34	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6a,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a,6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a,6a]H)(C[6]C[6]HH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(H){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	121.9203	0.258	3	121.9203	0.067	3	122.1066	2.266	34	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6a,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(H)	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6]HH){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,1|N<2>,3|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(H){1|N<2>,2|C<3>,2|C<4>,3|H<1>}	120.5000	0.000	1	120.5000	0.000	1	122.1066	2.266	34	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6a,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(H)	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,3|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(H){1|C<3>,1|N<2>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	121.8940	0.000	1	121.5303	0.151	3	122.1066	2.266	34	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6a,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(H)	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,3|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(H){1|N<2>,2|C<3>,2|C<4>,3|H<1>}	121.3485	0.323	2	121.5303	0.151	3	122.1066	2.266	34	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6a,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(H)	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6]HH){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)2{1|C<4>,1|N<2>,3|C<3>,3|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(H){1|N<2>,2|C<3>,2|C<4>,3|H<1>}	121.2370	0.624	2	121.2370	0.389	2	122.1066	2.266	34	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6a,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]O[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(H)	C[6,6a](C[6,6a]O[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6]HH){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	123.7050	0.000	1	123.7050	0.000	1	122.1066	2.266	34	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6a,6a]-3:C[6,6a]-3:I-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]I)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(I)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]I)(C[6]C[6]HH){1|N<3>,2|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|C<4>,1|I<1>,1|S<4>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(I){2|C<4>,3|C<3>,3|H<1>}	122.5440	0.000	1	122.5440	0.000	1	122.5440	0.000	1	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6a,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]O[6a]O[6])(C[6a]C[6a,6a]O)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(O)	C[6,6a](C[6,6a]O[6a]O[6])(C[6a]C[6a,6a]O)(C[6]C[6]HH){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,2|O<2>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(O){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	121.0520	0.025	2	121.0520	0.001	2	121.0520	0.001	2	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:O-1:	C[6,6a]-3:C[6a]-3:Br-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Br)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrH)(H)(O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(Br)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Br)(C[6]C[6]HO){2|Br<1>,1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrH)(H)(O){2|Br<1>,1|C<4>,1|H<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(Br){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	118.9870	0.479	2	118.9870	0.230	2	118.9870	0.230	2	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:O-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)(O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<3>,1|C<4>,6|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)(O){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	117.6390	0.000	1	117.6390	0.000	1	119.8552	4.767	4	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:O-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]P[6]C)(H)(O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|Br<1>,1|C<4>,1|H<1>,1|P<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]P[6]C)(H)(O){1|H<1>,1|O<1>,3|C<3>,3|O<2>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	122.6750	0.000	1	122.6750	0.000	1	119.8552	4.767	4	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:O-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H)(O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|N<2>,2|C<3>,2|O<1>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H)(O){1|H<1>,1|S<4>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<1>,1|S<4>,2|H<1>}	120.3460	0.000	1	119.5535	1.256	2	119.8552	4.767	4	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:O-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H)(O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|N<3>,2|C<3>,2|O<1>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H)(O){1|S<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<1>,1|S<4>,2|H<1>}	118.7610	0.000	1	119.5535	1.256	2	119.8552	4.767	4	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]CC)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]N[6]HH){1|H<1>,3|C<3>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]CC)(H)2{1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<4>,2|C<3>,3|H<1>}	120.3795	0.424	2	120.3795	0.179	2	119.1911	2.335	26	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5]C[6]H)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5]C[6]H)(H)2{2|C<4>,3|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<4>,3|H<1>}	118.1460	0.000	1	118.1460	0.000	1	119.1911	2.335	26	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]CC)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|C<3>,3|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]CC)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<4>,3|H<1>}	117.4580	0.000	1	117.4580	0.000	1	119.1911	2.335	26	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]CH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]CH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<4>,3|H<1>}	118.1310	0.000	1	118.1310	0.000	1	119.1911	2.335	26	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<4>,1|O<2>,2|C<3>,2|H<1>}	117.9560	0.000	1	117.9560	0.000	1	119.1911	2.335	26	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|N<4>,1|O<2>,2|H<1>}	118.4495	0.292	2	118.1942	0.115	4	119.1911	2.335	26	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|N<4>,1|O<2>,2|H<1>}	117.9390	0.000	2	118.1942	0.115	4	119.1911	2.335	26	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]PdC)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|Pd<4>,1|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]PdC)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<4>,3|H<1>}	119.5240	0.000	1	119.5240	0.000	1	119.1911	2.335	26	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]B[6]CC)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|B<4>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]B[6]CC)(H)2{1|H<1>,1|N<3>,2|C<3>,2|F<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,1|N<4>,3|H<1>}	120.7580	0.000	1	120.7580	0.000	1	119.1911	2.335	26	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]B[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|B<4>,1|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]B[6]HH)(H)2{1|H<1>,1|O<2>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<4>,1|O<2>,3|H<1>}	119.3140	0.388	3	119.3140	0.151	3	119.1911	2.335	26	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]Ga[6,6]CH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|Ga<4>,1|C<3>,1|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]Ga[6,6]CH)(H)2{1|H<1>,1|N<4>,2|C<3>,2|O<2>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<4>,1|O<2>,3|H<1>}	120.5875	0.930	2	120.8530	0.581	4	119.1911	2.335	26	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]Ga[6,6]CH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|Ga<5>,1|C<3>,1|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]Ga[6,6]CH)(H)2{1|H<1>,1|N<3>,1|N<4>,2|C<3>,2|O<2>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<4>,1|O<2>,3|H<1>}	121.1185	0.773	2	120.8530	0.581	4	119.1911	2.335	26	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]In[4,6]C[6]H)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|In<5>,1|C<3>,1|H<1>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]In[4,6]C[6]H)(H)2{1|I<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>,2|O<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|C<3>,1|N<4>,1|O<2>,3|H<1>}	119.9270	0.000	1	119.9270	0.000	1	119.1911	2.335	26	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]In[6]CC)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|In<4>,1|C<3>,4|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]In[6]CC)(H)2{2|Cl<1>,1|H<1>,1|O<2>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|C<3>,1|N<4>,1|O<2>,3|H<1>}	114.2860	0.000	1	114.2860	0.000	1	119.1911	2.335	26	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]In[6]C[6]H)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|In<4>,1|C<3>,1|H<1>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]In[6]C[6]H)(H)2{1|O<2>,2|C<3>,2|H<1>,4|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|C<3>,1|N<4>,1|O<2>,3|H<1>}	119.9740	0.000	1	119.5786	0.815	5	119.1911	2.335	26	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]In[6]C[6]H)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|In<4>,1|C<3>,1|H<1>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]In[6]C[6]H)(H)2{2|Cl<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|C<3>,1|N<4>,1|O<2>,3|H<1>}	119.1860	0.000	1	119.5786	0.815	5	119.1911	2.335	26	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]In[6]C[6]H)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|In<4>,1|H<1>,2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]In[6]C[6]H)(H)2{1|Br<1>,1|C<4>,1|H<1>,1|O<2>,1|O<3>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|C<3>,1|N<4>,1|O<2>,3|H<1>}	120.7880	0.000	1	119.5786	0.815	5	119.1911	2.335	26	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]In[6]C[6]H)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|In<5>,1|H<1>,2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]In[6]C[6]H)(H)2{2|Br<1>,1|C<4>,1|H<1>,1|O<2>,1|O<3>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|C<3>,1|N<4>,1|O<2>,3|H<1>}	118.3600	0.000	1	119.5786	0.815	5	119.1911	2.335	26	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]In[6]C[6]H)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HH){2|In<4>,1|C<3>,1|H<1>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]In[6]C[6]H)(H)2{1|O<3>,2|C<3>,2|H<1>,4|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|C<3>,1|N<4>,1|O<3>,3|H<1>}	119.5850	0.000	1	119.5786	0.815	5	119.1911	2.335	26	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:P[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]B[3,6]C[6a])(C[6a]C[6a]H)(C[6]P[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(P[6]B[3,6]C[6]2)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]B[3,6]C[6a])(C[6a]C[6a]H)(C[6]P[6]HH){1|B<4>,1|P<4>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(P[6]B[3,6]C[6]2)(H)2{1|B<4>,1|P<4>,2|C<3>,4|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|P<4>,3|H<1>}	116.4290	0.000	1	116.4290	0.000	1	117.7350	1.000	7	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:P[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]B[6,6]C[6a])(C[6a]C[6a]H)(C[6]P[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(P[6]B[6,6]C[6]2)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]B[6,6]C[6a])(C[6a]C[6a]H)(C[6]P[6]HH){1|B<4>,1|C<3>,1|P<3>,1|P<4>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(P[6]B[6,6]C[6]2)(H)2{1|B<4>,3|C<3>,4|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|P<4>,3|H<1>}	117.2500	0.000	1	118.0765	1.366	2	117.7350	1.000	7	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:P[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]B[6,6]C[6a])(C[6a]C[6a]H)(C[6]P[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(P[6]B[6,6]C[6]2)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]B[6,6]C[6a])(C[6a]C[6a]H)(C[6]P[6]HH){1|B<4>,1|C<3>,1|P<4>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(P[6]B[6,6]C[6]2)(H)2{1|B<4>,1|P<3>,3|C<3>,3|H<1>,4|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|P<4>,3|H<1>}	118.9030	0.000	1	118.0765	1.366	2	117.7350	1.000	7	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:P[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]P[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(P[6]C[6,6a]C[6a]B)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]P[6]HH){1|B<4>,1|H<1>,1|O<2>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(P[6]C[6,6a]C[6a]B)(H)2{1|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|P<4>,2|C<3>,3|H<1>}	118.6475	0.029	2	118.6475	0.001	2	117.7350	1.000	7	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:P[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]B[6])(C[6a]C[6a]H)(C[6]P[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(P[6]B[6]C[6]2)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]B[6])(C[6a]C[6a]H)(C[6]P[6]HH){1|Br<1>,1|B<4>,1|C<3>,1|P<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(P[6]B[6]C[6]2)(H)2{1|B<4>,1|P<4>,2|C<3>,4|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|P<4>,3|H<1>}	117.5270	0.000	1	117.1340	0.309	2	117.7350	1.000	7	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:P[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]B[6])(C[6a]C[6a]H)(C[6]P[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(P[6]B[6]C[6]2)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]B[6])(C[6a]C[6a]H)(C[6]P[6]HH){1|Br<1>,1|B<4>,1|C<3>,1|P<4>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(P[6]B[6]C[6]2)(H)2{1|B<4>,1|P<3>,2|C<3>,4|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|P<4>,3|H<1>}	116.7410	0.000	1	117.1340	0.309	2	117.7350	1.000	7	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:S[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]S[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6,6]OO)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]S[6]HH){1|O<2>,2|C<3>,2|H<1>,2|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6,6]OO)(H)2{1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|S<4>,2|C<3>,3|H<1>}	120.1840	0.000	1	120.1840	0.000	1	120.1840	0.000	1	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	N[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6a,6a]-3:C[6,6a]-3:H-1:	C[6,6a](N[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6]HH)	C[6](C[6,6a]N[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]N[6,6a]C[6])(H)	C[6,6a](N[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6]HH){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[6,6a]N[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)2{1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]N[6,6a]C[6])(H){2|C<4>,3|C<3>,3|H<1>}	120.2820	1.181	2	120.2820	1.394	2	120.2820	1.394	2	120.6394	3.952	2016	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:2:	C[6,6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(C[6]C[6]HH){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,2|C<4>,3|H<1>}	122.8813	0.482	3	122.8813	0.232	3	119.6090	4.350	15	119.8381	2.826	116	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:2:	C[6,6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HO)(H)2	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]H)(OH)	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(C[6]C[6]HH){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HO)(H)2{1|C<4>,1|O<2>,4|C<3>}	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]H)(OH){1|C<3>,2|C<4>,3|H<1>}	119.5140	0.000	1	119.5140	0.000	1	119.6090	4.350	15	119.8381	2.826	116	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:2:	C[6,6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6a]C[6a]O)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]C)(OCo)	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6a]C[6a]O)(C[6]C[6]HH){2|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]C)(OCo){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	118.0343	0.280	4	118.0343	0.078	4	119.6090	4.350	15	119.8381	2.826	116	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:2:	C[6,6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6a]C[6a]O)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]C)(OH)	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6a]C[6a]O)(C[6]C[6]HH){2|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]C)(OH){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.5105	2.119	2	120.5105	4.491	2	119.6090	4.350	15	119.8381	2.826	116	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:2:	C[6,6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6a]C[6a]O)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]C)(ONi)	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6a]C[6a]O)(C[6]C[6]HH){2|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]C)(ONi){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	116.7050	0.000	1	116.7050	0.000	1	119.6090	4.350	15	119.8381	2.826	116	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:2:	C[6,6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6a]C[6a]O)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]C)(OV)	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6a]C[6a]O)(C[6]C[6]HH){2|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]C)(OV){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	119.0285	0.866	4	119.0285	0.749	4	119.6090	4.350	15	119.8381	2.826	116	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:2:	C[6,6a,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]O)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]O)(C[6]C[6]HH){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,4|C<3>}	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(OC){1|C<4>,2|C<3>,3|H<1>}	120.8470	0.000	1	120.8470	0.000	1	120.8470	0.000	1	119.8381	2.826	116	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:F-1:F-1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]FF)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]FF)(F)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]FF){1|C<3>,1|C<4>,1|H<1>,1|O<2>,4|F<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]FF)(F)2{1|C<4>,1|O<2>,2|C<3>,2|F<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,2|C<4>,2|F<1>}	118.1450	0.343	5	118.1450	0.118	5	118.1450	0.118	5	119.8381	2.826	116	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6a]-3:C[6,6a]-3:O-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[5,6a]O)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CH)(H)2	C[6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6,6a]C[6])(OH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[5,6a]O)(C[6]C[6]HH){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CH)(H)2{1|C<4>,2|C<3>,3|O<2>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6,6a]C[6])(OH){1|C<3>,1|O<1>,2|C<4>,2|H<1>,2|O<2>}	121.1975	0.278	6	121.1975	0.077	6	121.1975	0.077	6	119.8381	2.826	116	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[6,6a]-3:O-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5a,6a]O)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(H)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]C[6])(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5a,6a]O)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(H)2{1|C<4>,1|O<2>,2|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]C[6])(OC){2|C<4>,3|C<3>,3|H<1>}	118.6140	0.000	1	118.6140	0.000	1	118.6140	0.000	1	119.8381	2.826	116	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[5]-3:N[6a]-2:	C[6,6a](C[6,6a]C[5,6a]C[6])(C[6a]N[6a]C[5])(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[5]C[5]N[5])(N[6a]C[5,6a])	C[6,6a](C[6,6a]C[5,6a]C[6])(C[6a]N[6a]C[5])(C[6]C[6]HH){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[5]C[5]N[5])(N[6a]C[5,6a]){1|N<2>,1|O<1>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	119.8610	0.000	1	119.8610	0.000	1	119.8610	0.000	1	119.8381	2.826	116	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[5a]-3:N[6a]-2:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[5a]N[6a])(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[5a]C[5a]O[5a])(N[6a]C[6a,6a])	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[5a]N[6a])(C[6]C[6]HH){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[5a]C[5a]O[5a])(N[6a]C[6a,6a]){2|C<4>,3|H<1>,4|C<3>}	118.9160	0.000	1	118.9160	0.000	1	118.9160	0.000	1	119.8381	2.826	116	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:O-2:	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]O)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H)2	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6,6a]C[6,6a]C[6])(OH)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]O)(C[6]C[6]HH){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H)2{2|C<3>,2|C<4>,2|O<2>}	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6,6a]C[6,6a]C[6])(OH){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	117.5920	0.000	1	117.5920	0.000	1	118.8303	2.731	4	119.8381	2.826	116	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:O-2:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6,6a]O)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])2(OC)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6,6a]O)(C[6]C[6]HH){1|O<2>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{1|O<2>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])2(OC){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	121.2330	0.000	1	121.2330	0.000	1	118.8303	2.731	4	119.8381	2.826	116	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:O-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]O)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO)(H)2	C[6a](C[6,6a]C[6,6a]C[6])2(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]O)(C[6]C[6]HH){1|C<4>,1|H<1>,3|C<3>,3|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])2(OH){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	118.2480	0.457	2	118.2480	0.209	2	118.8303	2.731	4	119.8381	2.826	116	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-2:	C[6,6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]C)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]C)(CN)	C[6,6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]C)(C[6]C[6]HH){1|C<2>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{1|C<2>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]C)(CN){2|C<3>,2|C<4>,2|H<1>}	121.7720	0.000	1	121.7720	0.000	1	119.6354	1.315	9	119.8381	2.826	116	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]N[6a]S)(CN)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]HH){1|C<3>,1|H<1>,1|N<2>,1|O<2>,1|S<2>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO)(H)2{1|C<2>,1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]N[6a]S)(CN){1|C<3>,2|C<4>,2|H<1>}	119.3042	0.232	4	119.3042	0.054	4	119.6354	1.315	9	119.8381	2.826	116	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N)(CN)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]HH){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<2>,1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N)(CN){1|C<2>,1|C<3>,2|C<4>,2|H<1>}	118.7155	0.350	2	118.7155	0.123	2	119.6354	1.315	9	119.8381	2.826	116	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N)(CN)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]HH){2|C<3>,2|N<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|C<2>,2|C<3>,2|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N)(CN){1|C<2>,1|C<3>,2|C<4>,2|H<1>}	118.9230	0.000	1	118.9230	0.000	1	119.6354	1.315	9	119.8381	2.826	116	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-2:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]C)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N[6])(CN)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]C)(C[6]C[6]HH){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<2>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N[6])(CN){1|C<3>,1|N<3>,3|C<4>,3|H<1>}	121.3760	0.000	1	121.3760	0.000	1	119.6354	1.315	9	119.8381	2.826	116	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:N-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(C[6]C[6]HH){1|C<3>,1|C<4>,6|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NC){1|C<3>,2|C<4>,3|H<1>}	119.4260	0.000	1	119.4260	0.000	1	119.4260	0.000	1	119.8381	2.826	116	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6a]-2:	C[6,6a](C[6,6a]C[5,6,6]N[6a])(C[6a]C[6a]N[6a])(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,5,6,6]CC)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)(N[6a]C[6a])	C[6,6a](C[6,6a]C[5,6,6]N[6a])(C[6a]C[6a]N[6a])(C[6]C[6]HH){1|H<1>,3|C<3>,4|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,5,6,6]CC)(H)2{1|C<3>,2|N<2>,3|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)(N[6a]C[6a]){1|N<2>,1|N<3>,2|C<3>,2|C<4>,4|H<1>}	123.8770	0.000	1	123.8770	0.000	1	124.3455	0.439	2	119.8381	2.826	116	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6a]-2:	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a]N[6a])(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)(N[6a]C[6a])	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a]N[6a])(C[6]C[6]HH){2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{2|N<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)(N[6a]C[6a]){1|C<4>,1|N<2>,1|N<3>,3|C<3>,4|H<1>}	124.8140	0.000	1	124.8140	0.000	1	124.3455	0.439	2	119.8381	2.826	116	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6a]C[5,5,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,5,6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[5,5,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]HH){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,5,6]HH)(H)2{1|O<2>,2|C<4>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,2|C<4>,3|H<1>}	119.0035	0.267	2	119.0035	0.071	2	119.9437	2.332	63	119.8381	2.826	116	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]HH){1|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,2|C<4>,3|H<1>}	119.3200	0.000	1	119.3200	0.000	1	119.9437	2.332	63	119.8381	2.826	116	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]HH){1|N<3>,2|C<3>,2|O<2>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2{1|C<4>,1|O<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,2|C<4>,3|H<1>}	117.8920	0.000	1	117.8920	0.000	1	119.9437	2.332	63	119.8381	2.826	116	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]HH){1|N<3>,2|C<3>,2|O<2>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2{1|C<4>,1|O<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC){1|C<3>,2|C<4>,3|H<1>}	118.6180	0.000	1	118.6180	0.000	1	119.9437	2.332	63	119.8381	2.826	116	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6a]C[5,6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[5,6a]H)(OH)	C[6,6a](C[6,6a]C[5,6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH){1|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[5,6a]H)(OH){1|C<3>,2|H<1>,3|C<4>}	118.8490	0.000	1	118.8490	0.000	1	119.9437	2.332	63	119.8381	2.826	116	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]HH){3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)(H)2{1|N<3>,1|O<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	121.6210	0.000	1	121.6210	0.000	1	119.9437	2.332	63	119.8381	2.826	116	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CO)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]HH){1|C<3>,2|C<4>,2|H<1>,3|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CO)(H)2{1|C<4>,1|O<2>,1|S<4>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC){1|C<3>,2|C<4>,3|H<1>}	119.7410	0.000	1	119.7410	0.000	1	119.9437	2.332	63	119.8381	2.826	116	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OC)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]HH){1|C<3>,3|H<1>,4|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OC){1|C<3>,2|C<4>,3|H<1>}	118.7727	0.081	3	118.7727	0.007	3	119.9437	2.332	63	119.8381	2.826	116	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]HH){1|C<3>,3|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,2|C<4>,3|H<1>}	117.8152	0.149	4	119.0577	3.521	8	119.9437	2.332	63	119.8381	2.826	116	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]HH){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|C<4>,1|O<2>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<4>,2|C<3>,3|H<1>}	117.4170	0.000	1	119.0577	3.521	8	119.9437	2.332	63	119.8381	2.826	116	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|O<2>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<4>,2|C<3>,3|H<1>}	120.3910	0.000	1	119.0577	3.521	8	119.9437	2.332	63	119.8381	2.826	116	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]HH){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|C<4>,1|O<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<4>,2|C<3>,3|H<1>}	121.6310	0.000	1	119.0577	3.521	8	119.9437	2.332	63	119.8381	2.826	116	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]HH){3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|C<4>,1|O<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<4>,2|C<3>,3|H<1>}	121.7620	0.000	1	119.0577	3.521	8	119.9437	2.332	63	119.8381	2.826	116	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]C)(OH)	C[6,6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(C[6]C[6]HH){1|H<1>,2|C<3>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2{2|C<3>,2|C<4>,2|O<2>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]C)(OH){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	122.1035	0.189	2	122.1035	0.036	2	119.9437	2.332	63	119.8381	2.826	116	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]C)(OH)	C[6,6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(C[6]C[6]HH){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|O<1>,2|C<3>,2|O<2>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]C)(OH){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	122.5260	0.000	1	122.5260	0.000	1	119.9437	2.332	63	119.8381	2.826	116	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(OC)	C[6,6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(C[6]C[6]HH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H)2{2|C<3>,2|C<4>,2|O<2>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(OC){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	120.7400	0.000	1	120.7400	0.000	1	119.9437	2.332	63	119.8381	2.826	116	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(OH)	C[6,6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(C[6]C[6]HH){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H)2{1|H<1>,2|O<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(OH){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	122.5510	0.000	1	122.5510	0.000	1	119.9437	2.332	63	119.8381	2.826	116	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6a]C[6a]O)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]C)(OH)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6a]C[6a]O)(C[6]C[6]HH){1|Br<1>,1|C<4>,1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrH)(H)2{2|C<3>,2|C<4>,2|O<2>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]C)(OH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.1250	0.000	1	120.1250	0.000	1	119.9437	2.332	63	119.8381	2.826	116	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6a]C[6a]O)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]H)(OC)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6a]C[6a]O)(C[6]C[6]HH){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|O<2>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]H)(OC){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	119.8460	0.000	1	119.8460	0.000	1	119.9437	2.332	63	119.8381	2.826	116	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|O<2>,2|C<4>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OH){1|C<3>,2|C<4>,3|H<1>}	118.8330	0.000	1	118.8330	0.000	1	119.9437	2.332	63	119.8381	2.826	116	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	119.7040	0.000	1	120.6870	4.691	3	119.9437	2.332	63	119.8381	2.826	116	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2{1|O<2>,2|C<4>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,2|C<4>,3|H<1>}	119.1870	0.000	1	120.6870	4.691	3	119.9437	2.332	63	119.8381	2.826	116	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2{1|O<2>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	123.1700	0.000	1	120.6870	4.691	3	119.9437	2.332	63	119.8381	2.826	116	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	120.2260	0.000	1	120.2260	0.000	1	119.9437	2.332	63	119.8381	2.826	116	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OS)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH){1|C<4>,2|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OS){1|C<3>,2|C<4>,3|H<1>}	120.9290	0.000	1	120.9290	0.000	1	119.9437	2.332	63	119.8381	2.826	116	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH){1|C<2>,1|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,2|C<4>,3|H<1>}	119.3035	0.896	2	118.6531	0.473	11	119.9437	2.332	63	119.8381	2.826	116	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH){1|C<3>,1|C<4>,1|I<3>,1|O<2>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,2|C<4>,3|H<1>}	118.6612	0.317	4	118.6531	0.473	11	119.9437	2.332	63	119.8381	2.826	116	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,2|C<4>,3|H<1>}	118.7200	0.000	1	118.6531	0.473	11	119.9437	2.332	63	119.8381	2.826	116	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH){1|C<4>,1|I<1>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,2|C<4>,3|H<1>}	118.1930	0.000	1	118.6531	0.473	11	119.9437	2.332	63	119.8381	2.826	116	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,2|C<4>,3|H<1>}	119.3080	0.000	1	118.6531	0.473	11	119.9437	2.332	63	119.8381	2.826	116	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<4>,2|C<3>,3|H<1>}	117.2010	0.000	1	118.6531	0.473	11	119.9437	2.332	63	119.8381	2.826	116	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH){1|C<4>,2|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,2|C<4>,3|H<1>}	118.5100	0.000	1	118.6531	0.473	11	119.9437	2.332	63	119.8381	2.826	116	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|N<4>,1|O<2>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC){1|C<3>,2|C<4>,3|H<1>}	119.0730	0.000	1	119.0730	0.000	1	119.9437	2.332	63	119.8381	2.826	116	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH){1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|O<2>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.8780	0.000	1	120.4500	0.840	3	119.9437	2.332	63	119.8381	2.826	116	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH){1|O<2>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OH){1|C<4>,2|C<3>,3|H<1>}	120.2360	1.185	2	120.4500	0.840	3	119.9437	2.332	63	119.8381	2.826	116	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(H)2{1|C<4>,1|O<2>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,2|C<4>,3|H<1>}	121.0660	0.000	1	121.0660	0.000	1	119.9437	2.332	63	119.8381	2.826	116	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<1>,2|H<1>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(H)2{1|O<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC){1|C<4>,2|C<3>,3|H<1>}	122.6845	0.309	2	122.6845	0.095	2	119.9437	2.332	63	119.8381	2.826	116	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH){1|C<3>,1|C<4>,1|H<1>,1|O<1>,3|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(H)2{1|O<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OH){1|C<4>,2|C<3>,3|H<1>}	121.9750	0.000	1	121.9750	0.000	1	119.9437	2.332	63	119.8381	2.826	116	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OP)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH){1|C<3>,2|C<4>,2|H<1>,3|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(H)2{1|C<4>,1|O<2>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OP){1|C<3>,2|C<4>,3|H<1>}	120.6440	0.000	1	120.6440	0.000	1	119.9437	2.332	63	119.8381	2.826	116	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]O)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C[5])(OH)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]O)(C[6]C[6]HH){1|C<3>,2|H<1>,4|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C[5])(OH){1|C<4>,1|N<3>,1|O<2>,2|C<3>,4|H<1>}	119.4050	0.000	1	119.4050	0.000	1	119.9437	2.332	63	119.8381	2.826	116	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]HH){1|H<1>,2|C<3>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CH)(H)2{1|C<4>,2|C<3>,3|O<2>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OH){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	121.0665	0.149	2	121.0665	0.022	2	119.9437	2.332	63	119.8381	2.826	116	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]ClH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(OC)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]HH){2|Cl<1>,1|C<3>,1|H<1>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]ClH)(H)2{2|C<3>,2|C<4>,2|O<2>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(OC){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.5940	0.000	1	120.5940	0.000	1	119.9437	2.332	63	119.8381	2.826	116	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]HH){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|O<2>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OH){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	121.9990	0.000	1	121.9990	0.000	1	119.9437	2.332	63	119.8381	2.826	116	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]HH){1|C<3>,1|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|O<2>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	122.0270	0.000	1	120.5957	1.591	3	119.9437	2.332	63	119.8381	2.826	116	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]HH){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|O<2>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	119.8800	0.331	2	120.5957	1.591	3	119.9437	2.332	63	119.8381	2.826	116	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]HH){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H)2{2|C<3>,2|C<4>,2|O<2>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OH){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	119.5990	0.000	1	119.5990	0.000	1	119.9437	2.332	63	119.8381	2.826	116	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H)2{1|H<1>,2|O<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	120.7010	0.040	2	120.7010	0.002	2	119.9437	2.332	63	119.8381	2.826	116	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6a,6a]-3:C[6,6a]-3:O-2:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]O)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6,6a]C[6,6a]C[6])(OH)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]O)(C[6]C[6]HH){2|H<1>,2|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{1|O<2>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6,6a]C[6,6a]C[6])(OH){1|C<4>,2|H<1>,4|C<3>}	119.4323	1.739	3	119.4323	3.026	3	119.9310	2.868	5	119.8381	2.826	116	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6a,6a]-3:C[6,6a]-3:O-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6]HH){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(OC){1|C<4>,3|H<1>,4|C<3>}	119.3460	0.000	1	119.3460	0.000	1	119.9310	2.868	5	119.8381	2.826	116	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6a,6a]-3:C[6,6a]-3:O-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6]HH){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(H)2{1|C<4>,1|O<2>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(OC){2|C<4>,3|C<3>,3|H<1>}	122.0120	0.000	1	122.0120	0.000	1	119.9310	2.868	5	119.8381	2.826	116	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]CH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]N[6]HH){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]CH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|N<4>,1|O<2>,2|H<1>}	117.4530	0.000	1	117.3380	0.026	2	117.3380	0.026	2	119.8381	2.826	116	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]CH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]N[6]HH){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]CH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|N<4>,3|H<1>}	117.2230	0.000	1	117.3380	0.026	2	117.3380	0.026	2	119.8381	2.826	116	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5,6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6a]-3:	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6a]C[6a]2)(C[6a]C[6a]C)	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6a]2)(C[6]C[6]HH){3|C<4>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6a]C[6a]2)(C[6a]C[6a]C){2|C<4>,4|C<3>,4|H<1>}	122.5800	0.000	1	122.5800	0.000	1	122.5800	0.000	1	121.8088	3.664	111	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6a]-3:	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]2)(C[6]C[6]HH){1|N<3>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|C<4>,5|H<1>}	120.8300	0.000	1	120.8300	0.000	1	120.8300	0.000	1	121.8088	3.664	111	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a,6a]C[6a,6a]N[6,6a])(C[6a]C[6a]N[6])(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]CH)(H)2	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]F)(N[6]C[6]2)	C[6,6a](C[6,6a,6a]C[6a,6a]N[6,6a])(C[6a]C[6a]N[6])(C[6]C[6]HH){1|F<1>,1|H<1>,3|C<3>,4|C<4>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]CH)(H)2{1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]F)(N[6]C[6]2){1|C<3>,1|N<3>,3|C<4>,7|H<1>}	119.8530	0.000	1	119.8530	0.000	1	119.8530	0.000	1	121.8088	3.664	111	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[3x6]C[6a])(C[6a]C[6a]C[6])(C[6]C[6,6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]N[6]H)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6]C[6,6]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[3x6]C[6a])(C[6a]C[6a]C[6])(C[6]C[6,6]HH){1|N<3>,1|O<2>,2|H<1>,3|C<3>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]N[6]H)(H)2{1|H<1>,3|C<4>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6]C[6,6]C[6])(C[6a]C[6a]H){1|O<2>,3|C<3>,3|C<4>,3|H<1>}	118.1760	0.000	1	118.1760	0.000	1	118.1760	0.000	1	121.8088	3.664	111	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6a,6a]-3:C[6,6a]-3:C-3:	C[6,6a](C[6,6a]N[6,6]N[6a])(C[6a]C[6a,6a]C)(C[6]C[6,6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(CCH)	C[6,6a](C[6,6a]N[6,6]N[6a])(C[6a]C[6a,6a]C)(C[6]C[6,6]HH){2|C<3>,4|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(H)2{1|C<4>,1|N<2>,1|N<3>,2|C<3>,4|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(CCH){1|C<4>,1|N<2>,1|N<3>,2|C<3>,3|H<1>}	121.4300	0.140	2	121.4300	0.020	2	121.4300	0.020	2	121.8088	3.664	111	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6a]-3:C[6,6a]-3:N-3:	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[5,6a]N)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6,6a]C[6])(NCC)	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[5,6a]N)(C[6]C[6]HH){1|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6,6a]C[6])(NCC){1|N<2>,4|C<4>,4|H<1>}	120.9840	0.000	1	120.9840	0.000	1	120.9840	0.000	1	121.8088	3.664	111	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[5a,6a]C[6a])(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[5a,6a]C[6a])(C[6]C[6]HH){2|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{1|N<2>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2){1|N<3>,2|C<3>,2|C<4>,3|N<2>,4|H<1>}	122.5660	0.000	1	122.6618	0.255	6	122.6618	0.255	6	121.8088	3.664	111	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[5a,6a]C[6a])(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[5a,6a]C[6a])(C[6]C[6]HH){2|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{1|N<2>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2){1|N<3>,2|C<4>,2|N<2>,3|C<3>,4|H<1>}	122.6810	0.562	5	122.6618	0.255	6	122.6618	0.255	6	121.8088	3.664	111	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[5a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5a,6]N[6a])(C[6a]C[5a]C[6a])(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[5a]C[5a]S[5a])(C[6a]C[6a]C)	C[6,6a](C[6,6a]C[5a,6]N[6a])(C[6a]C[5a]C[6a])(C[6]C[6]HH){1|C<2>,1|N<3>,1|S<2>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)(H)2{1|N<2>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[5a]C[5a]S[5a])(C[6a]C[6a]C){1|C<4>,1|N<2>,1|O<2>,3|C<3>,3|H<1>}	123.1030	0.000	1	123.1030	0.000	1	121.7750	3.527	2	121.8088	3.664	111	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[5a]-3:C[6a]-3:	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[5a]C[6a])(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[5a]C[5a]S[5a])(C[6a]C[5a]C[6a])	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[5a]C[6a])(C[6]C[6]HH){1|S<2>,2|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[5a]C[5a]S[5a])(C[6a]C[5a]C[6a]){1|N<3>,1|O<1>,1|S<2>,2|C<4>,3|C<3>,3|H<1>}	120.4470	0.000	1	120.4470	0.000	1	121.7750	3.527	2	121.8088	3.664	111	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]C)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6,6a]N[6])(COO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]C)(C[6]C[6]HH){1|N<3>,1|O<1>,2|C<3>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)2{2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6,6a]N[6])(COO){1|C<4>,1|S<2>,3|C<3>,3|H<1>}	121.3750	0.000	1	121.3750	0.000	1	121.2165	0.050	2	121.8088	3.664	111	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]C)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6,6a]N[6])(COO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]C)(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6,6a]N[6])(COO){1|C<4>,1|S<2>,3|C<3>,3|H<1>}	121.0580	0.000	1	121.0580	0.000	1	121.2165	0.050	2	121.8088	3.664	111	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:N-3:	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6,6a]N)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])2(NHH)	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6,6a]N)(C[6]C[6]HH){1|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])2(NHH){1|N<2>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	120.3370	0.000	1	120.3370	0.000	1	120.3370	0.000	1	121.8088	3.664	111	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]C)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(COO)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]C)(C[6]C[6]HH){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(COO){1|C<3>,2|C<4>,3|H<1>}	121.0550	0.000	1	121.0550	0.000	1	122.2548	5.278	9	121.8088	3.664	111	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-3:	C[6,6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]C)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]C)(COO)	C[6,6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]C)(C[6]C[6]HH){2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]C)(COO){2|C<3>,2|C<4>,2|H<1>}	122.0855	0.486	2	122.0855	0.236	2	122.2548	5.278	9	121.8088	3.664	111	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(CHO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]HH){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(CHO){1|C<3>,2|C<4>,3|H<1>}	118.1600	0.000	1	118.1600	0.000	1	122.2548	5.278	9	121.8088	3.664	111	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C[5])(COO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]HH){2|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C[5])(COO){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	120.5180	0.000	1	120.5180	0.000	1	122.2548	5.278	9	121.8088	3.664	111	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(COO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]HH){1|C<3>,1|C<4>,6|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(COO){1|C<3>,2|C<4>,3|H<1>}	122.1270	0.000	1	122.1270	0.000	1	122.2548	5.278	9	121.8088	3.664	111	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(COO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<1>,2|H<1>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(H)2{4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(COO){1|C<4>,2|C<3>,3|H<1>}	125.1685	0.960	2	125.1685	0.921	2	122.2548	5.278	9	121.8088	3.664	111	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CHO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]HH){1|C<3>,1|O<1>,1|O<2>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]HH)(H)2{4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CHO){1|C<4>,2|C<3>,3|H<1>}	123.9250	0.000	1	123.9250	0.000	1	122.2548	5.278	9	121.8088	3.664	111	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[5,6a]H)(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[5,6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH){1|C<4>,1|P<4>,3|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[5,6a]H)(C[6a]C[6a]2){1|B<4>,2|C<4>,3|C<3>,4|H<1>}	119.9810	0.000	1	119.9810	0.000	1	121.5609	3.550	62	121.8088	3.664	111	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)(C[6a]C[6a]N)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH){1|C<2>,2|H<1>,2|N<3>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)(H)2{5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)(C[6a]C[6a]N){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	121.9190	0.000	1	121.9190	0.000	1	121.5609	3.550	62	121.8088	3.664	111	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5a,6]N[6a])(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)(C[6a]C[6a]C)	C[6,6a](C[6,6a]C[5a,6]N[6a])(C[6a]C[6a]2)(C[6]C[6]HH){1|C<2>,1|N<3>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)(H)2{1|N<2>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)(C[6a]C[6a]C){1|C<4>,1|N<2>,1|O<2>,3|C<3>,4|H<1>}	123.9820	0.574	8	123.9217	0.272	10	121.5609	3.550	62	121.8088	3.664	111	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5a,6]N[6a])(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)(C[6a]C[6a]C)	C[6,6a](C[6,6a]C[5a,6]N[6a])(C[6a]C[6a]2)(C[6]C[6]HH){1|C<2>,2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)(H)2{1|N<2>,1|N<3>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)(C[6a]C[6a]C){1|C<4>,1|N<2>,1|N<3>,3|C<3>,4|H<1>}	123.6805	0.022	2	123.9217	0.272	10	121.5609	3.550	62	121.8088	3.664	111	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5a,6a]N[6])(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[5a,6a]H)(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[5a,6a]N[6])(C[6a]C[6a]2)(C[6]C[6]HH){1|C<4>,4|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[5a,6a]H)(C[6a]C[6a]2){1|C<4>,2|N<3>,3|C<3>,4|H<1>}	121.3290	0.000	1	121.3290	0.000	1	121.5609	3.550	62	121.8088	3.664	111	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)(C[6a]C[6a]C)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH){2|C<2>,2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)(C[6a]C[6a]C){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	121.8593	0.423	7	121.8593	0.179	7	121.5609	3.550	62	121.8088	3.664	111	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)(C[6a]C[6a]C)	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a]2)(C[6]C[6]HH){1|C<2>,2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{1|N<2>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)(C[6a]C[6a]C){1|C<4>,1|N<2>,1|N<3>,3|C<3>,4|H<1>}	123.6500	0.000	1	123.0756	0.283	5	121.5609	3.550	62	121.8088	3.664	111	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)(C[6a]C[6a]C)	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a]2)(C[6]C[6]HH){1|C<2>,3|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{1|N<3>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)(C[6a]C[6a]C){1|C<4>,1|N<3>,1|O<1>,3|C<3>,4|H<1>}	122.9320	0.490	4	123.0756	0.283	5	121.5609	3.550	62	121.8088	3.664	111	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a]2)(C[6]C[6]HH){3|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{1|N<2>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|N<2>,3|C<3>,5|H<1>}	124.1150	0.000	1	123.8070	0.200	5	121.5609	3.550	62	121.8088	3.664	111	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a]2)(C[6]C[6]HH){3|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{1|N<2>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|N<2>,4|C<3>,4|H<1>}	123.4730	0.513	2	123.8070	0.200	5	121.5609	3.550	62	121.8088	3.664	111	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a]2)(C[6]C[6]HH){3|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{2|N<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|N<2>,1|O<2>,3|C<3>,4|H<1>}	123.9870	0.393	2	123.8070	0.200	5	121.5609	3.550	62	121.8088	3.664	111	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]H)(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]2)(C[6]C[6]HH){1|C<4>,3|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]H)(C[6a]C[6a]2){1|C<4>,1|N<2>,1|N<3>,3|C<3>,4|H<1>}	118.1840	0.000	1	118.1840	0.000	1	121.5609	3.550	62	121.8088	3.664	111	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]C)(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6a]C[6a]2)(C[6]C[6]HH){2|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]C)(C[6a]C[6a]2){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	121.5790	0.000	1	121.5790	0.000	1	121.5609	3.550	62	121.8088	3.664	111	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]C[6a])(C[6a]C[6a]N)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]C[6a])(C[6a]C[6a]N){1|N<3>,3|C<3>,3|C<4>,3|H<1>}	120.0217	0.791	4	120.0217	0.626	4	121.5609	3.550	62	121.8088	3.664	111	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]C[6a])(C[6a]C[6a]N[5])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]C[6a])(C[6a]C[6a]N[5]){1|N<3>,3|C<4>,3|H<1>,5|C<3>}	119.3810	0.416	2	119.3810	0.173	2	121.5609	3.550	62	121.8088	3.664	111	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]C[6a])(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH){1|C<4>,1|O<2>,3|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]C[6a])(C[6a]C[6a]O){1|O<2>,3|C<3>,3|C<4>,3|H<1>}	119.7776	0.444	9	119.7776	0.197	9	121.5609	3.550	62	121.8088	3.664	111	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]C[6a])(C[6a]C[6a]P)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH){1|C<4>,1|P<4>,3|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]C[6a])(C[6a]C[6a]P){1|P<4>,3|C<3>,3|C<4>,3|H<1>}	119.9377	0.896	4	119.9377	0.803	4	121.5609	3.550	62	121.8088	3.664	111	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)(C[6a]C[6a]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH){1|C<4>,2|C<2>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)(C[6a]C[6a]C){1|N<3>,2|C<4>,3|C<3>,4|H<1>}	120.1700	0.635	2	120.1700	0.403	2	121.5609	3.550	62	121.8088	3.664	111	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH){1|C<4>,1|P<4>,3|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)(C[6a]C[6a]H){1|B<4>,2|C<4>,3|C<3>,4|H<1>}	119.5950	0.000	1	118.7415	1.457	2	121.5609	3.550	62	121.8088	3.664	111	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH){1|N<3>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|C<4>,5|H<1>}	117.8880	0.000	1	118.7415	1.457	2	121.5609	3.550	62	121.8088	3.664	111	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|C<1>,1|C<4>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)(C[6a]C[6a]H){1|P<4>,2|C<4>,3|C<3>,4|H<1>}	121.4700	0.000	1	122.2730	1.290	2	121.5609	3.550	62	121.8088	3.664	111	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{2|C<4>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)(C[6a]C[6a]H){1|P<4>,2|C<4>,3|C<3>,4|H<1>}	123.0760	0.000	1	122.2730	1.290	2	121.5609	3.550	62	121.8088	3.664	111	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6a]-3:	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]Br)	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH){1|Br<1>,2|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]Br){1|N<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	118.6530	0.000	1	118.6530	0.000	1	121.5609	3.550	62	121.8088	3.664	111	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6a]-3:	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)(C[6a]C[6a]C)	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH){1|C<2>,2|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)(C[6a]C[6a]C){1|N<3>,1|O<1>,2|C<3>,2|C<4>,4|H<1>}	120.7340	0.000	1	120.7340	0.000	1	121.5609	3.550	62	121.8088	3.664	111	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6a]-3:	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH){1|C<4>,3|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,2|C<4>,3|C<3>,4|H<1>}	122.0780	0.000	1	122.9273	0.552	3	121.5609	3.550	62	121.8088	3.664	111	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6a]-3:	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH){1|C<4>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|N<2>,4|C<3>,4|H<1>}	123.3520	0.150	2	122.9273	0.552	3	121.5609	3.550	62	121.8088	3.664	111	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:N-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]N)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(NOO)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]N)(C[6]C[6]HH){1|Cl<1>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(H)2{1|C<4>,1|H<1>,1|N<3>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(NOO){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	120.2290	0.000	1	120.2290	0.000	1	123.0061	7.487	11	121.8088	3.664	111	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:N-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]N)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N)(NOO)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]N)(C[6]C[6]HH){1|C<3>,1|N<3>,3|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N)(NOO){1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	119.9730	0.000	1	119.9730	0.000	1	123.0061	7.487	11	121.8088	3.664	111	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:N-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]CH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NOO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(C[6]C[6]HH){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]CH)(H)2{1|C<4>,1|N<3>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NOO){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	126.1223	0.920	3	126.1223	0.847	3	123.0061	7.487	11	121.8088	3.664	111	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:N-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)(NCH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(C[6]C[6]HH){1|C<4>,2|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)(NCH){2|C<4>,3|C<3>,3|H<1>}	123.1680	0.000	1	123.1680	0.000	1	123.0061	7.487	11	121.8088	3.664	111	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:N-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NCC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(C[6]C[6]HH){1|C<3>,1|C<4>,6|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NCC){1|C<3>,2|C<4>,3|H<1>}	120.7005	0.651	2	120.7005	0.424	2	123.0061	7.487	11	121.8088	3.664	111	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:N-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NCH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(C[6]C[6]HH){1|C<3>,1|C<4>,6|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NCH){1|C<3>,2|C<4>,3|H<1>}	120.1740	0.000	1	120.1740	0.000	1	123.0061	7.487	11	121.8088	3.664	111	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:N-3:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]N)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(NOO)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]N)(C[6]C[6]HH){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,2|C<3>,2|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(NOO){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	124.1620	0.000	1	124.8775	1.024	2	123.0061	7.487	11	121.8088	3.664	111	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:N-3:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]N)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(NOO)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]N)(C[6]C[6]HH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,1|O<2>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(NOO){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	125.5930	0.000	1	124.8775	1.024	2	123.0061	7.487	11	121.8088	3.664	111	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6a,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5a,6]N[6a])(C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[5a,6]N[6a])(C[6a]C[6a,6a]C[6a])(C[6]C[6]HH){1|N<3>,2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)(H)2{1|N<2>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2){1|C<4>,1|N<2>,5|C<3>,5|H<1>}	123.7940	0.000	1	123.7940	0.000	1	123.2906	0.466	5	121.8088	3.664	111	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6a,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a,6a]C[6a])(C[6]C[6]HH){2|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{1|N<2>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2){1|C<4>,1|N<2>,5|C<3>,5|H<1>}	123.1647	0.718	4	123.1647	0.516	4	123.2906	0.466	5	121.8088	3.664	111	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6a]C[6,6a]C[6a])(C[6,6a]N[6a]C[6])(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])2(C[6a]C[6a]2)	C[6,6a](C[6a]C[6,6a]C[6a])(C[6,6a]N[6a]C[6])(C[6]C[6]HH){1|C<4>,4|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])2(C[6a]C[6a]2){1|N<2>,1|O<1>,2|C<3>,2|C<4>,2|N<3>,4|H<1>}	120.6780	0.000	1	120.6780	0.000	1	120.6780	0.000	1	121.8088	3.664	111	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6,6a](C[6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a,6a]2)(C[6a]C[6a]2)	C[6,6a](C[6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[6]HH){1|C<4>,4|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a,6a]2)(C[6a]C[6a]2){2|C<4>,4|H<1>,6|C<3>}	120.9230	0.000	1	120.9230	0.000	1	120.9230	0.000	1	121.8088	3.664	111	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6a,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]HH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)	C[6,6a](C[6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[6]HH){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]HH)(H)2{1|C<4>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2){2|C<4>,5|C<3>,5|H<1>}	120.9400	0.000	1	120.9400	0.000	1	121.2548	0.063	4	121.8088	3.664	111	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6a,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6a]C[6a,6a]C[6a])(C[6,6a]N[6a]C[6])(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)	C[6,6a](C[6a]C[6a,6a]C[6a])(C[6,6a]N[6a]C[6])(C[6]C[6]HH){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2){1|C<4>,1|N<2>,5|C<3>,5|H<1>}	121.5540	0.000	1	121.3597	0.028	3	121.2548	0.063	4	121.8088	3.664	111	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6a,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6a]C[6a,6a]C[6a])(C[6,6a]N[6a]C[6])(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)	C[6,6a](C[6a]C[6a,6a]C[6a])(C[6,6a]N[6a]C[6])(C[6]C[6]HH){1|C<4>,2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2){1|C<4>,1|N<3>,1|O<1>,2|N<2>,3|C<3>,4|H<1>}	121.2720	0.000	1	121.3597	0.028	3	121.2548	0.063	4	121.8088	3.664	111	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6a,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6a]C[6a,6a]C[6a])(C[6,6a]N[6a]C[6])(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)	C[6,6a](C[6a]C[6a,6a]C[6a])(C[6,6a]N[6a]C[6])(C[6]C[6]HH){1|C<4>,4|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2){1|N<2>,2|C<4>,4|C<3>,5|H<1>}	121.2530	0.000	1	121.3597	0.028	3	121.2548	0.063	4	121.8088	3.664	111	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a](C[6,6,6a]C[6,6a]C[3x6])(C[6a]C[6a]C)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]H)(CH3)	C[6,6a](C[6,6,6a]C[6,6a]C[3x6])(C[6a]C[6a]C)(C[6]C[6]HH){2|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]H)(CH3){1|C<3>,2|C<4>,3|H<1>}	118.2390	0.000	1	118.2390	0.000	1	118.2390	0.000	1	121.6511	3.426	96	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[6,6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5a,6a]C)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]C[6])(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5a,6a]C)(C[6]C[6]HH){1|C<3>,1|C<4>,2|N<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{2|C<3>,3|C<4>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]C[6])(CH3){2|C<4>,3|C<3>,3|H<1>}	119.7640	0.000	1	119.7640	0.000	1	119.7640	0.000	1	121.6511	3.426	96	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[6,6a]C)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])2(CCHH)	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[6,6a]C)(C[6]C[6]HH){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{1|C<4>,1|N<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])2(CCHH){1|N<2>,2|C<3>,3|C<4>,3|H<1>}	122.8965	0.269	2	122.8965	0.073	2	122.8965	0.073	2	121.6511	3.426	96	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]C)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,5,6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(CH3)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]C)(C[6]C[6]HH){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,5,6]HH)(H)2{3|C<3>,3|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(CH3){1|C<3>,2|C<4>,3|H<1>}	118.9170	0.000	1	118.9170	0.000	1	121.6474	3.701	80	121.6511	3.426	96	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]C)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CH3)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]C)(C[6]C[6]HH){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CH3){1|C<3>,2|C<4>,3|H<1>}	122.1570	0.000	1	122.1570	0.000	1	121.6474	3.701	80	121.6511	3.426	96	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6a]C[6a]C)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[5a,6a]H)(CH3)	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6a]C[6a]C)(C[6]C[6]HH){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[5a,6a]H)(CH3){2|C<3>,2|C<4>,2|H<1>}	118.4910	0.000	1	118.4910	0.000	1	121.6474	3.701	80	121.6511	3.426	96	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]C)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(CCCH)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]C)(C[6]C[6]HH){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|H<1>,2|C<3>,3|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(CCCH){1|C<3>,2|C<4>,3|H<1>}	118.5886	0.192	5	118.5342	0.047	6	121.6474	3.701	80	121.6511	3.426	96	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]C)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(CCCH)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]C)(C[6]C[6]HH){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|H<1>,2|C<3>,3|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(CCCH){1|C<3>,2|C<4>,3|H<1>}	118.2620	0.000	1	118.5342	0.047	6	121.6474	3.701	80	121.6511	3.426	96	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]C)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(CH3)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]C)(C[6]C[6]HH){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|H<1>,2|C<3>,3|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(CH3){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	118.3763	0.098	3	118.3763	0.010	3	121.6474	3.701	80	121.6511	3.426	96	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]C)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]C)(CH3)	C[6,6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]C)(C[6]C[6]HH){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2{1|C<4>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]C)(CH3){2|C<3>,2|C<4>,2|H<1>}	122.9404	0.816	44	122.9404	0.666	44	121.6474	3.701	80	121.6511	3.426	96	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]C)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(CH3)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]C)(C[6]C[6]HH){2|C<2>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{1|C<4>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(CH3){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	122.4390	0.337	2	122.4390	0.113	2	121.6474	3.701	80	121.6511	3.426	96	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(CCHH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]HH){1|C<3>,3|H<1>,4|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(CCHH){1|C<3>,2|C<4>,3|H<1>}	119.9980	0.092	2	119.9980	0.008	2	121.6474	3.701	80	121.6511	3.426	96	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]HH){1|H<1>,2|C<4>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CH3){2|C<3>,2|C<4>,2|H<1>}	119.2580	0.000	1	119.2580	0.000	1	121.6474	3.701	80	121.6511	3.426	96	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]HH){1|C<2>,1|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(CH3){1|C<3>,1|P<4>,2|C<4>,2|H<1>}	118.6010	0.000	1	119.4245	1.356	2	121.6474	3.701	80	121.6511	3.426	96	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]HH){1|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(CH3){2|C<3>,2|C<4>,2|H<1>}	120.2480	0.000	1	119.4245	1.356	2	121.6474	3.701	80	121.6511	3.426	96	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]P)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]HH){1|C<3>,1|P<4>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]P)(CH3){1|C<2>,1|C<3>,2|C<4>,2|H<1>}	118.3960	0.000	1	118.3960	0.000	1	121.6474	3.701	80	121.6511	3.426	96	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]HH){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H)2{1|H<1>,2|C<3>,3|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CH3){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	118.5150	0.000	1	118.5150	0.000	1	121.6474	3.701	80	121.6511	3.426	96	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<1>,2|H<1>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(H)2{1|C<4>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CH3){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	123.4840	0.345	2	123.4840	0.119	2	121.6474	3.701	80	121.6511	3.426	96	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]C)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CH3)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]C)(C[6]C[6]HH){3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	122.2850	0.000	1	122.2850	0.000	1	121.6474	3.701	80	121.6511	3.426	96	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]C)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(CH3)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]C)(C[6]C[6]HH){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,3|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(CH3){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	120.1470	0.000	1	120.8828	1.049	9	121.6474	3.701	80	121.6511	3.426	96	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]C)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(CH3)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]C)(C[6]C[6]HH){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,3|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(CH3){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.7340	0.000	1	120.8828	1.049	9	121.6474	3.701	80	121.6511	3.426	96	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]C)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(CH3)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]C)(C[6]C[6]HH){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,3|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(CH3){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	121.0570	0.396	3	120.8828	1.049	9	121.6474	3.701	80	121.6511	3.426	96	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]C)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(CH3)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]C)(C[6]C[6]HH){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(CH3){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	120.2170	0.513	3	120.8828	1.049	9	121.6474	3.701	80	121.6511	3.426	96	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]C)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(CH3)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]C)(C[6]C[6]HH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,1|O<2>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(CH3){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	123.2420	0.000	1	120.8828	1.049	9	121.6474	3.701	80	121.6511	3.426	96	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]C)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]S)(CH3)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]C)(C[6]C[6]HH){1|C<3>,1|S<4>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,3|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]S)(CH3){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	121.1660	0.000	1	121.1660	0.000	1	121.6474	3.701	80	121.6511	3.426	96	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(CH3)	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<3>,1|N<2>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(CH3){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	120.5470	0.000	1	120.5470	0.000	1	121.6474	3.701	80	121.6511	3.426	96	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CH3)	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]HH){1|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CH3){1|N<3>,1|O<1>,2|C<4>,2|H<1>}	117.7090	0.000	1	117.7090	0.000	1	121.6474	3.701	80	121.6511	3.426	96	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C[6])(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C[6])(C[6]C[6]HH){1|C<3>,1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2O){2|C<3>,4|C<4>,6|H<1>}	123.3490	0.000	1	123.3490	0.000	1	123.3490	0.000	1	121.6511	3.426	96	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6a,6a]-3:C[6,6a]-3:B-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]B)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(BC[5]CH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]B)(C[6]C[6]HH){1|C<4>,2|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|B<4>,1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(BC[5]CH){2|C<4>,3|C<3>,3|H<1>}	121.0430	0.000	1	121.0430	0.000	1	121.0430	0.000	1	121.6511	3.426	96	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6a,6a]-3:C[6,6a]-3:C-4:	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a,6a]C)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(CCHH)	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a,6a]C)(C[6]C[6]HH){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{1|C<4>,1|N<2>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(CCHH){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	123.1445	0.408	2	123.1445	0.166	2	121.7542	1.756	6	121.6511	3.426	96	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6a,6a]-3:C[6,6a]-3:C-4:	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a,6a]C)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(CC[6a]HH)	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a,6a]C)(C[6]C[6]HH){1|N<2>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{1|C<4>,1|N<2>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(CC[6a]HH){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	122.1630	0.000	1	122.1630	0.000	1	121.7542	1.756	6	121.6511	3.426	96	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6a,6a]-3:C[6,6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]C)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]C)(C[6]C[6]HH){1|C<4>,2|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(CH3){2|C<4>,3|C<3>,3|H<1>}	119.9740	0.000	1	119.9740	0.000	1	121.7542	1.756	6	121.6511	3.426	96	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6a,6a]-3:C[6,6a]-3:C-4:	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]C)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(CCHH)	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]C)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<3>,1|N<2>,2|C<4>,2|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(CCHH){1|N<2>,2|C<3>,2|C<4>,3|H<1>}	121.0495	0.647	2	121.0495	0.419	2	121.7542	1.756	6	121.6511	3.426	96	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	N[5a,6a]-3:C[6,6a]-3:C-4:	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]N[5a,6a]C)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]C[6])(CH3)	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]N[5a,6a]C)(C[6]C[6]HH){1|N<2>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{1|C<4>,1|N<2>,1|N<3>,2|C<3>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]C[6])(CH3){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	122.3563	0.538	3	122.3563	0.290	3	122.3563	0.290	3	121.6511	3.426	96	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:4:	N[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a](N[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]HH)	C[6](C[6,6a]N[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6,6a]N[6,6a]C[6])(C[6a]N[6a]O)(CH3)	C[6,6a](N[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]HH){1|C<4>,1|N<2>,1|O<1>,1|O<2>,4|H<1>}	C[6](C[6,6a]N[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6a](C[6,6a]N[6,6a]C[6])(C[6a]N[6a]O)(CH3){1|C<3>,2|C<4>,2|H<1>}	120.9360	0.000	1	120.9360	0.000	1	120.9360	0.000	1	121.6511	3.426	96	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	P[5]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]P[5])(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](P[5]C[5,6a]C[6a]C[5])(C[6,6a]C[6,6a]C[6])(C[6a]C[6a]B)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]P[5])(C[6]C[6]HH){1|B<4>,1|C<4>,4|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|P<4>,2|C<3>,2|H<1>}	C[6a](P[5]C[5,6a]C[6a]C[5])(C[6,6a]C[6,6a]C[6])(C[6a]C[6a]B){3|C<4>,3|H<1>,6|C<3>}	120.9830	0.000	1	120.9830	0.000	1	120.9830	0.000	1	120.9830	0.000	1	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:2:1:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a,6a]-3:H-1:	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6a,6a])(C[6a]C[6a,6a]H)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6,6a]HO)(OH)(H)	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a,6a]C[6a,6a]C[6a])(H)	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6a,6a])(C[6a]C[6a,6a]H)(C[6]C[6]HO){1|H<1>,1|O<2>,5|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6,6a]HO)(OH)(H){1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a,6a]C[6a,6a]C[6a])(H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	122.8000	0.000	1	122.8000	0.000	1	122.8000	0.000	1	120.7992	3.381	177	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:2:1:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6a,6a])(C[6a]C[6a]H)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6,6a]CH)(OH)(H)	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]C)(H)	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6a,6a])(C[6a]C[6a]H)(C[6]C[6]HO){1|H<1>,2|C<4>,4|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6,6a]CH)(OH)(H){1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]C)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	122.1855	0.896	2	122.1855	0.803	2	122.4143	0.712	4	120.7992	3.381	177	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:2:1:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6a,6a])(C[6a]C[6a]H)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6,6a]CO)(OC)(H)	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6a,6a])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6,6a]CO)(OC)(H){1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	123.3930	0.000	1	123.3930	0.000	1	122.4143	0.712	4	120.7992	3.381	177	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:2:1:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6a,6a])(C[6a]C[6a]H)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6,6a]HO)(OH)(H)	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6a,6a])(C[6a]C[6a]H)(C[6]C[6]HO){1|O<2>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6,6a]HO)(OH)(H){1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	121.8930	0.000	1	121.8930	0.000	1	122.4143	0.712	4	120.7992	3.381	177	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:2:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C-4:N[6]-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(CC[6a]CH)(N[6]C[6])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(CC[6a]CH)(N[6]C[6])(H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	120.7900	0.000	2	122.1553	5.592	3	122.1553	5.592	3	120.7992	3.381	177	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:2:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C-4:N[6]-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(CC[6a]CH)(N[6]C[6])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(CC[6a]CH)(N[6]C[6])(H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	124.8860	0.000	1	122.1553	5.592	3	122.1553	5.592	3	120.7992	3.381	177	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:2:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C-4:O[6]-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(CC[6a]CH)(O[6]C[6])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]CH){2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(CC[6a]CH)(O[6]C[6])(H){1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	122.7535	0.675	2	122.7535	0.456	2	120.5227	15.158	3	120.7992	3.381	177	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:2:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C-4:O[6]-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(CC[6a]HH)(O[6]C[6])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]CH){2|O<2>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(CC[6a]HH)(O[6]C[6])(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	116.0610	0.000	1	116.0610	0.000	1	120.5227	15.158	3	120.7992	3.381	177	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:2:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[5,6]-4:N-2:H-1:	C[5,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[5,6]HN)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(NN)(H)	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[5,6]HN){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(NN)(H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H){1|C<3>,1|H<1>,1|N<2>,1|O<2>,3|C<4>}	116.6220	0.000	1	116.6220	0.000	1	116.6220	0.000	1	120.7992	3.381	177	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:2:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[5,6]-4:O-2:H-1:	C[5,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[5,6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(OC)(H)	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[5,6]HO){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(OC)(H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H){1|C<3>,1|H<1>,2|O<2>,3|C<4>}	117.9830	0.000	1	117.9830	0.000	1	117.9830	0.000	1	120.7992	3.381	177	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:2:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[5,6]-4:O-2:H-1:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]H)(C[6]C[5,6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(OH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6,6a]O[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]H)(C[6]C[5,6]HO){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(OH)(H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6,6a]O[6])(H){1|C<3>,1|H<1>,2|O<2>,3|C<4>}	117.7440	0.000	1	117.7440	0.000	1	117.7440	0.000	1	120.7992	3.381	177	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:2:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(CN)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|C<4>,1|N<2>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(CN)(H){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,2|C<4>,2|H<1>}	119.4160	0.000	1	119.4160	0.000	1	119.0707	0.619	3	120.7992	3.381	177	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:2:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CN)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<4>,1|S<4>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CN)(H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	119.6260	0.000	1	119.6260	0.000	1	119.0707	0.619	3	120.7992	3.381	177	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:2:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CN)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<4>,1|O<2>,1|S<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CN)(H){1|N<3>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<2>,1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<2>}	118.1700	0.000	1	118.1700	0.000	1	119.0707	0.619	3	120.7992	3.381	177	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:2:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:N-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]HN)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CO)(NC)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]HN){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CO)(NC)(H){1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	121.7480	0.000	1	121.7480	0.000	1	119.9752	1.621	12	120.7992	3.381	177	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:2:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:N-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]HN)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HN)(NC[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]HN){1|N<2>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HN)(NC[6a])(H){1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	121.2240	1.704	2	121.2240	2.904	2	119.9752	1.621	12	120.7992	3.381	177	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:2:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:N-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HN)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrH)(NS)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HN){1|Br<1>,1|C<3>,1|C<4>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrH)(NS)(H){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	118.5270	0.000	1	118.5270	0.000	1	119.9752	1.621	12	120.7992	3.381	177	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:2:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:N-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HN)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(NS)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HN){1|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(NS)(H){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	119.8110	0.000	1	119.8110	0.000	1	119.9752	1.621	12	120.7992	3.381	177	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:2:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:N-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HN)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NC)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HN){1|C<3>,1|C<4>,6|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NC)(H){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	119.7752	0.218	4	119.7752	0.048	4	119.9752	1.621	12	120.7992	3.381	177	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:2:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:N-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HN)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NS)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HN){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NS)(H){1|C<2>,1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	118.1500	0.000	1	118.4515	0.182	2	119.9752	1.621	12	120.7992	3.381	177	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:2:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:N-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HN)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NS)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HN){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NS)(H){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	118.7530	0.000	1	118.4515	0.182	2	119.9752	1.621	12	120.7992	3.381	177	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:2:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:N-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HN)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(NN)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HN){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(NN)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|N<2>,1|O<2>,2|H<1>}	121.1640	0.000	1	121.1640	0.000	1	119.9752	1.621	12	120.7992	3.381	177	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:2:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[5,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5,6a]H)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HO)(OH)(H)	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5,6a]H)(C[6]C[6]HO){1|C<3>,1|C<4>,1|N<3>,2|O<2>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HO)(OH)(H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H){1|C<3>,1|H<1>,2|O<2>,3|C<4>}	116.8520	0.000	1	116.8520	0.000	1	118.3693	3.240	3	120.7992	3.381	177	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:2:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[5,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(OH)(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6,6a]C[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[6]HO){1|C<3>,1|H<1>,1|O<1>,2|C<4>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(OH)(H){3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6,6a]C[6])(H){2|C<3>,2|C<4>,2|O<2>,3|H<1>}	120.3580	0.000	1	120.3580	0.000	1	118.3693	3.240	3	120.7992	3.381	177	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:2:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[5,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HP)(OH)(H)	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[6]HO){1|C<4>,1|O<2>,1|P<4>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HP)(OH)(H){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H){1|C<3>,1|H<1>,2|O<2>,3|C<4>}	117.8980	0.000	1	117.8980	0.000	1	118.3693	3.240	3	120.7992	3.381	177	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:2:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]N[6a])(C[6a]C[6,6a]H)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]CC)(OH)(H)	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6,6a]C[6,6a]C[6])(H)	C[6,6a](C[6,6a]C[5,6]N[6a])(C[6a]C[6,6a]H)(C[6]C[6]HO){1|O<2>,2|C<3>,4|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]CC)(OH)(H){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6,6a]C[6,6a]C[6])(H){1|C<3>,1|H<1>,1|N<2>,1|O<2>,4|C<4>}	122.5070	0.416	2	122.5070	0.173	2	122.5070	0.173	2	120.7992	3.381	177	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:2:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrH)(OH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HO){1|Br<1>,1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrH)(OH)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	117.9780	0.000	1	117.9780	0.000	1	120.9542	3.054	127	120.7992	3.381	177	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:2:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CH)(OH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]HO){3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CH)(OH)(H){1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	122.8840	0.000	1	122.8840	0.000	1	120.9542	3.054	127	120.7992	3.381	177	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:2:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HN)(OH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]HO){1|N<3>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HN)(OH)(H){1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	121.5960	0.000	1	121.5960	0.000	1	120.9542	3.054	127	120.7992	3.381	177	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:2:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HO)(OH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]H)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]HO){1|O<2>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HO)(OH)(H){1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]H)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	122.4580	0.317	2	122.4580	0.100	2	120.9542	3.054	127	120.7992	3.381	177	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:2:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(OH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]H)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|O<2>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(OH)(H){2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]H)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	119.1720	0.000	1	119.1720	0.000	1	120.9542	3.054	127	120.7992	3.381	177	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:2:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]HO)(OH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]HO)(OH)(H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	121.3370	0.000	1	121.3370	0.000	1	120.9542	3.054	127	120.7992	3.381	177	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:2:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6]H)(OH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6]H)(OH)(H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	121.2470	0.000	1	121.2470	0.000	1	120.9542	3.054	127	120.7992	3.381	177	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:2:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6]H)(OH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]N[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|N<2>,2|C<4>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6]H)(OH)(H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]N[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	122.3500	0.000	1	122.3500	0.000	1	120.9542	3.054	127	120.7992	3.381	177	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:2:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6]H)(OH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO){3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6]H)(OH)(H){2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	123.1040	0.000	1	123.1040	0.000	1	120.9542	3.054	127	120.7992	3.381	177	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:2:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H)(OH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H)(OH)(H){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	121.1360	0.000	1	121.1360	0.000	1	120.9542	3.054	127	120.7992	3.381	177	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:2:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrH)(OC)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|Br<1>,1|C<4>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrH)(OC)(H){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	119.0935	0.494	2	119.0935	0.244	2	120.9542	3.054	127	120.7992	3.381	177	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:2:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrH)(OC)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|Br<1>,1|C<3>,1|C<4>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrH)(OC)(H){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	119.3400	0.000	1	119.3400	0.000	1	120.9542	3.054	127	120.7992	3.381	177	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:2:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrH)(OH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|Br<1>,1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrH)(OH)(H){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	119.8410	0.064	2	119.1734	0.641	5	120.9542	3.054	127	120.7992	3.381	177	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:2:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrH)(OH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|Br<1>,1|C<3>,1|C<4>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrH)(OH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	118.7283	0.733	3	119.1734	0.641	5	120.9542	3.054	127	120.7992	3.381	177	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:2:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(OH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(OH)(H){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	118.6933	0.628	3	118.6933	0.395	3	120.9542	3.054	127	120.7992	3.381	177	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:2:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(OH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(OH)(H){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	119.5805	0.726	2	120.1403	1.697	9	120.9542	3.054	127	120.7992	3.381	177	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:2:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(OH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(OH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	118.6860	0.000	1	120.1403	1.697	9	120.9542	3.054	127	120.7992	3.381	177	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:2:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(OH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(OH)(H){3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.4030	0.000	1	120.1403	1.697	9	120.9542	3.054	127	120.7992	3.381	177	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:2:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(OH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(OH)(H){1|H<1>,2|C<3>,3|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	119.5047	0.158	3	120.1403	1.697	9	120.9542	3.054	127	120.7992	3.381	177	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:2:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(OH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(OH)(H){2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	122.2495	0.286	2	120.1403	1.697	9	120.9542	3.054	127	120.7992	3.381	177	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:2:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(OH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<3>,1|H<1>,1|O<1>,2|C<4>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(OH)(H){3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	119.3450	0.000	1	119.3450	0.000	1	120.9542	3.054	127	120.7992	3.381	177	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:2:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]ClC)(OC)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|Cl<1>,1|C<4>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]ClC)(OC)(H){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	119.1400	0.000	1	119.1400	0.000	1	120.9542	3.054	127	120.7992	3.381	177	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:2:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]ClH)(OH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|Cl<1>,1|C<3>,1|C<4>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]ClH)(OH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|H<1>,1|O<2>,2|C<4>}	120.1415	0.012	2	120.1415	0.000	2	120.9542	3.054	127	120.7992	3.381	177	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:2:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OC)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<3>,1|C<4>,6|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OC)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	119.1230	0.000	1	119.1230	0.000	1	120.9542	3.054	127	120.7992	3.381	177	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:2:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OH)(H){3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.9670	0.529	4	120.9670	0.280	4	120.9542	3.054	127	120.7992	3.381	177	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:2:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OH)(H){3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	121.0210	0.528	2	121.0326	4.640	7	120.9542	3.054	127	120.7992	3.381	177	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:2:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	120.0810	0.000	1	121.0326	4.640	7	120.9542	3.054	127	120.7992	3.381	177	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:2:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<4>,2|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OH)(H){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	118.2290	0.000	1	121.0326	4.640	7	120.9542	3.054	127	120.7992	3.381	177	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:2:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|O<1>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OH)(H){1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.8970	0.000	1	121.0326	4.640	7	120.9542	3.054	127	120.7992	3.381	177	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:2:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO){2|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OH)(H){2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.6320	0.000	1	121.0326	4.640	7	120.9542	3.054	127	120.7992	3.381	177	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:2:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO){3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OH)(H){1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,1|H<1>,1|O<2>,2|C<3>}	125.3470	0.000	1	121.0326	4.640	7	120.9542	3.054	127	120.7992	3.381	177	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:2:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]I)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<3>,1|C<4>,1|I<1>,1|O<1>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OH)(H){3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]I)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	119.8920	0.000	1	119.8920	0.000	1	120.9542	3.054	127	120.7992	3.381	177	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:2:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OSi)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<3>,1|C<4>,6|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OSi)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	119.8070	0.000	1	119.8070	0.000	1	120.9542	3.054	127	120.7992	3.381	177	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:2:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(OH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<3>,1|C<4>,1|N<4>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(OH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	118.1160	0.000	1	121.4070	4.004	5	120.9542	3.054	127	120.7992	3.381	177	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:2:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(OH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|N<3>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(OH)(H){2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	122.2297	0.909	4	121.4070	4.004	5	120.9542	3.054	127	120.7992	3.381	177	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:2:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(OH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<3>,1|C<4>,1|O<1>,2|H<1>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(OH)(H){3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	121.3370	0.000	1	122.3858	0.509	5	120.9542	3.054	127	120.7992	3.381	177	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:2:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(OH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|O<2>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(OH)(H){2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	122.6480	0.469	4	122.3858	0.509	5	120.9542	3.054	127	120.7992	3.381	177	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:2:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HP)(OH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<3>,1|C<4>,1|P<4>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HP)(OH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	117.2680	0.000	1	117.2680	0.000	1	120.9542	3.054	127	120.7992	3.381	177	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:2:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N[6]H)(OH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]F)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<4>,1|F<1>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N[6]H)(OH)(H){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]F)(H){1|C<4>,1|F<1>,1|H<1>,1|O<2>,2|C<3>}	121.6400	0.000	1	121.6400	0.000	1	120.9542	3.054	127	120.7992	3.381	177	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:2:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N[6]H)(OH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|N<3>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N[6]H)(OH)(H){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	121.1870	0.000	1	121.1870	0.000	1	120.9542	3.054	127	120.7992	3.381	177	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:2:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(OC)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(OC)(H){2|C<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	118.3240	0.000	1	118.3240	0.000	1	120.9542	3.054	127	120.7992	3.381	177	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:2:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(OH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(OH)(H){2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	121.5095	0.156	2	121.8757	0.414	3	120.9542	3.054	127	120.7992	3.381	177	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:2:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(OH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO){3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(OH)(H){2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	122.6080	0.000	1	121.8757	0.414	3	120.9542	3.054	127	120.7992	3.381	177	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:2:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(OH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(OH)(H){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	117.7140	0.000	1	119.1360	4.044	2	120.9542	3.054	127	120.7992	3.381	177	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:2:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(OH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|O<2>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(OH)(H){2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	120.5580	0.000	1	119.1360	4.044	2	120.9542	3.054	127	120.7992	3.381	177	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:2:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(OSi)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<4>,1|N<3>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(OSi)(H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	119.2630	0.000	1	119.2630	0.000	1	120.9542	3.054	127	120.7992	3.381	177	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:2:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]H)(OH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|O<2>,2|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]H)(OH)(H){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	120.6180	0.259	2	120.6180	0.067	2	120.9542	3.054	127	120.7992	3.381	177	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:2:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a]C[6]H)(OH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|N<3>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a]C[6]H)(OH)(H){2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	122.1480	0.000	1	122.1480	0.000	1	120.9542	3.054	127	120.7992	3.381	177	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:2:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(OH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<3>,1|N<4>,1|O<2>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(OH)(H){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	119.9260	0.000	1	119.9260	0.000	1	120.9542	3.054	127	120.7992	3.381	177	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:2:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(OH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<3>,1|N<4>,2|O<2>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(OH)(H){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	119.8700	0.000	1	119.8700	0.000	1	120.9542	3.054	127	120.7992	3.381	177	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:2:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(OC)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<3>,1|C<4>,1|N<2>,1|O<2>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(OC)(H){1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	121.6113	0.466	3	121.6670	0.157	4	120.9542	3.054	127	120.7992	3.381	177	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:2:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(OC)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(OC)(H){1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	121.8340	0.000	1	121.6670	0.157	4	120.9542	3.054	127	120.7992	3.381	177	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:2:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(OH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(OH)(H){1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	122.2810	0.000	1	122.6224	0.862	8	120.9542	3.054	127	120.7992	3.381	177	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:2:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(OH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<3>,1|C<4>,1|O<1>,2|H<1>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(OH)(H){1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	122.6711	0.991	7	122.6224	0.862	8	120.9542	3.054	127	120.7992	3.381	177	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:2:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]HH)(OC)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<3>,1|N<2>,1|O<2>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]HH)(OC)(H){1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	122.2050	1.183	3	122.2050	1.399	3	120.9542	3.054	127	120.7992	3.381	177	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:2:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CF)(OH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<4>,1|F<1>,1|S<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CF)(OH)(H){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	123.4840	0.000	1	123.4840	0.000	1	120.9542	3.054	127	120.7992	3.381	177	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:2:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(OH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<4>,1|S<4>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(OH)(H){1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	117.8520	0.000	1	119.0665	2.950	2	120.9542	3.054	127	120.7992	3.381	177	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:2:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(OH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(OH)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	120.2810	0.000	1	119.0665	2.950	2	120.9542	3.054	127	120.7992	3.381	177	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:2:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OC)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OC)(H){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	121.9300	0.000	1	120.7280	2.890	2	120.9542	3.054	127	120.7992	3.381	177	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:2:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OC)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|S<4>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OC)(H){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	119.5260	0.000	1	120.7280	2.890	2	120.9542	3.054	127	120.7992	3.381	177	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:2:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<3>,1|C<4>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OH)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	120.9150	0.000	1	122.6985	6.362	2	120.9542	3.054	127	120.7992	3.381	177	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:2:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OH)(H){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	124.4820	0.000	1	122.6985	6.362	2	120.9542	3.054	127	120.7992	3.381	177	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:2:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(OC)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(OC)(H){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	118.8840	0.000	1	118.8840	0.000	1	120.9542	3.054	127	120.7992	3.381	177	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:2:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(OH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|Br<1>,1|S<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(OH)(H){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	122.7965	0.944	2	122.7965	0.891	2	120.9542	3.054	127	120.7992	3.381	177	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:2:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrN)(OH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|Br<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrN)(OH)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	121.4620	0.000	1	121.4620	0.000	1	120.9542	3.054	127	120.7992	3.381	177	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:2:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(OH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|Br<1>,1|C<4>,1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(OH)(H){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	122.4055	0.480	2	122.4055	0.231	2	120.9542	3.054	127	120.7992	3.381	177	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:2:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(OC)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(OC)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	124.5670	0.000	1	124.5670	0.000	1	120.9542	3.054	127	120.7992	3.381	177	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:2:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OC)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OC)(H){1|H<1>,2|O<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	120.9605	1.507	2	121.1317	1.223	3	120.9542	3.054	127	120.7992	3.381	177	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:2:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OC)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OC)(H){1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	121.4740	0.000	1	121.1317	1.223	3	120.9542	3.054	127	120.7992	3.381	177	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:2:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HO){2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OH)(H){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	123.9430	0.000	1	123.9430	0.000	1	120.9542	3.054	127	120.7992	3.381	177	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:2:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HS)(OH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<3>,1|C<4>,1|S<2>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HS)(OH)(H){1|H<1>,1|O<2>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	120.7975	0.532	2	120.8500	0.100	4	120.9542	3.054	127	120.7992	3.381	177	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:2:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HS)(OH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<3>,1|C<4>,1|S<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HS)(OH)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	120.9025	0.073	2	120.8500	0.100	4	120.9542	3.054	127	120.7992	3.381	177	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:2:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(OH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(OH)(H){1|H<1>,1|O<2>,2|F<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	120.8010	0.000	1	120.8010	0.000	1	120.9542	3.054	127	120.7992	3.381	177	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:2:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(OH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]HO){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(OH)(H){1|S<2>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|O<2>,1|S<2>,2|H<1>}	118.7810	0.000	1	118.7810	0.000	1	120.9542	3.054	127	120.7992	3.381	177	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:2:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(OH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(OH)(H){1|C<4>,1|H<1>,1|S<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,1|S<2>,2|H<1>}	123.1830	0.045	2	121.6570	6.987	3	120.9542	3.054	127	120.7992	3.381	177	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:2:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(OH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(OH)(H){1|S<2>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,1|S<2>,2|H<1>}	118.6050	0.000	1	121.6570	6.987	3	120.9542	3.054	127	120.7992	3.381	177	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:2:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]HO){2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OH)(H){1|H<1>,1|S<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,1|S<2>,2|H<1>}	122.5983	1.377	4	122.5983	1.897	4	120.9542	3.054	127	120.7992	3.381	177	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:2:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(OH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(OH)(H){1|S<2>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,1|S<2>,2|H<1>}	118.1525	0.084	2	118.1525	0.007	2	120.9542	3.054	127	120.7992	3.381	177	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:2:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]P[6])(OH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|P<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]P[6])(OH)(H){1|H<1>,1|O<1>,1|S<2>,2|O<2>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,1|S<2>,2|H<1>}	122.1530	0.000	1	122.1530	0.000	1	120.9542	3.054	127	120.7992	3.381	177	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:2:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]CC)(OH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HO){1|H<1>,1|N<2>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]CC)(OH)(H){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	121.8060	0.000	1	121.8060	0.000	1	120.9542	3.054	127	120.7992	3.381	177	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:2:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)(OH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HO){3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)(OH)(H){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	121.6310	0.000	1	121.6310	0.000	1	120.9542	3.054	127	120.7992	3.381	177	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:2:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]N)(OH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]N)(OH)(H){1|H<1>,1|N<3>,1|O<2>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	118.3000	0.000	1	118.3000	0.000	1	120.9542	3.054	127	120.7992	3.381	177	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:2:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]O)(OH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]O)(OH)(H){1|H<1>,1|N<3>,1|O<2>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	118.3850	0.000	1	118.3850	0.000	1	120.9542	3.054	127	120.7992	3.381	177	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:2:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6a,6a]-3:C[6,6a]-3:Br-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]Br)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrH)(OC)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(Br)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]Br)(C[6]C[6]HO){2|Br<1>,1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrH)(OC)(H){2|Br<1>,1|C<4>,1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(Br){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	119.7910	0.406	2	119.7910	0.165	2	119.9213	0.096	4	120.7992	3.381	177	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:2:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6a,6a]-3:C[6,6a]-3:Br-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]Br)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrH)(OH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(Br)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]Br)(C[6]C[6]HO){2|Br<1>,1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrH)(OH)(H){2|Br<1>,1|C<4>,1|H<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(Br){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	120.0515	0.233	2	120.0515	0.054	2	119.9213	0.096	4	120.7992	3.381	177	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:2:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6a,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a,6a]H)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OC)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a,6a]H)(C[6]C[6]HO){1|Cl<1>,1|C<4>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OC)(H){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|C<3>,2|O<2>}	120.7420	0.000	1	120.7420	0.000	1	120.9247	1.415	3	120.7992	3.381	177	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:2:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6a,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]N[6a]S[6])(C[6a]C[6a,6a]H)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(OH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(H)	C[6,6a](C[6,6a]N[6a]S[6])(C[6a]C[6a,6a]H)(C[6]C[6]HO){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(OH)(H){1|N<2>,1|S<2>,2|C<3>,2|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(H){1|C<4>,1|N<2>,1|O<2>,1|S<2>,2|C<3>,2|H<1>}	121.0160	1.667	2	121.0160	2.780	2	120.9247	1.415	3	120.7992	3.381	177	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:2:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6a,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]O[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OC)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(O)	C[6,6a](C[6,6a]O[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6]HO){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OC)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(O){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	118.2715	0.323	2	118.2715	0.104	2	118.5670	0.314	3	120.7992	3.381	177	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:2:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6a,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]O[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(O)	C[6,6a](C[6,6a]O[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6]HO){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(O){1|H<1>,2|C<3>,2|C<4>,3|O<2>}	119.1580	0.000	1	119.1580	0.000	1	118.5670	0.314	3	120.7992	3.381	177	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:2:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:S-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HS)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(SC)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HS){1|Br<1>,1|C<4>,1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(SC)(H){1|H<1>,1|N<2>,1|S<2>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H){1|C<3>,1|C<4>,1|N<2>,1|S<2>,2|H<1>}	123.9170	0.212	2	123.9170	0.045	2	122.6277	2.311	4	120.7992	3.381	177	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:2:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:S-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HS)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CN)(SC[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HS){1|Br<1>,1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CN)(SC[6a])(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H){1|C<3>,1|C<4>,1|O<2>,1|S<2>,2|H<1>}	121.3385	0.489	2	121.3385	0.239	2	122.6277	2.311	4	120.7992	3.381	177	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:2:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]Ga[6,6]CH)(OC)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HO){1|Ga<5>,1|C<3>,1|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]Ga[6,6]CH)(OC)(H){1|H<1>,2|C<3>,2|N<3>,2|O<2>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<4>,2|H<1>,2|O<2>}	121.1780	0.000	1	121.1780	0.000	1	121.1780	0.000	1	120.7992	3.381	177	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:2:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:P[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]P[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(P[6]C[6,6a]ClW)(OC)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]P[6]HO){1|Cl<1>,1|W<6>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(P[6]C[6,6a]ClW)(OC)(H){1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,1|P<4>,2|C<3>,2|H<1>}	120.5560	0.000	1	120.5560	0.000	1	120.5560	0.000	1	120.7992	3.381	177	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:2:1:	3:3:2:	C[5,6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(C[6]C[6]HO)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]HH)(OC)(H)	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6a]C[6a]H)(OH)	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(C[6]C[6]HO){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]HH)(OC)(H){1|H<1>,2|O<2>,3|C<3>}	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6a]C[6a]H)(OH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	126.1615	0.227	2	126.1615	0.052	2	125.8798	1.607	4	120.2170	8.946	23	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:2:1:	3:3:2:	C[5,6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(C[6]C[6]HO)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]HH)(OH)(H)	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6a]C[6a]H)(OH)	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(C[6]C[6]HO){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]HH)(OH)(H){1|H<1>,2|O<2>,3|C<3>}	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6a]C[6a]H)(OH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	125.5980	2.110	2	125.5980	4.452	2	125.8798	1.607	4	120.2170	8.946	23	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:2:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[3,6]-4:O-2:H-1:	C[6a,6a]-3:C[6,6a]-3:O-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[3,6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]2O[3])(OH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[3,6]HO){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]2O[3])(OH)(H){2|C<4>,3|C<3>,3|O<2>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(OH){1|C<4>,1|H<1>,1|O<1>,2|O<2>,3|C<3>}	118.1540	0.717	6	118.1540	0.514	6	118.1540	0.514	6	120.2170	8.946	23	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:2:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6,6a]-3:O-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]O)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OC[6])(H)	C[6a](C[6,6a]C[6,6a]C[6])2(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]O)(C[6]C[6]HO){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OC[6])(H){1|C<4>,2|O<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])2(OH){1|H<1>,1|O<1>,1|O<2>,2|C<4>,3|C<3>}	118.1940	0.018	2	118.1940	0.000	2	118.1940	0.000	2	120.2170	8.946	23	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:2:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HO)(OH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]HO){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HO)(OH)(H){1|H<1>,1|O<2>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.1340	0.000	1	120.1340	0.000	1	119.5513	2.534	10	120.2170	8.946	23	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:2:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HO)(OH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]HO){1|C<3>,2|C<4>,2|H<1>,3|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HO)(OH)(H){2|C<3>,2|C<4>,2|O<2>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	117.4500	0.000	1	117.4500	0.000	1	119.5513	2.534	10	120.2170	8.946	23	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:2:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]ClH)(OH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]HO){1|Cl<1>,1|C<3>,1|C<4>,2|O<2>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]ClH)(OH)(H){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	117.5720	0.000	1	117.5720	0.000	1	119.5513	2.534	10	120.2170	8.946	23	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:2:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CC)(OH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HO){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CC)(OH)(H){1|O<2>,2|C<3>,3|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	118.3785	0.906	2	118.3785	0.820	2	119.5513	2.534	10	120.2170	8.946	23	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:2:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(OH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HO){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(OH)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	119.0350	0.000	1	119.0350	0.000	1	119.5513	2.534	10	120.2170	8.946	23	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:2:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(OC)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HO){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(OC)(H){1|I<1>,1|O<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	121.1850	0.000	1	121.1850	0.000	1	119.5513	2.534	10	120.2170	8.946	23	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:2:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(OSi)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HO){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(OSi)(H){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.8280	0.000	1	120.8280	0.000	1	119.5513	2.534	10	120.2170	8.946	23	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:2:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(OH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HO){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(OH)(H){1|O<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	121.4270	0.000	1	121.4270	0.000	1	119.5513	2.534	10	120.2170	8.946	23	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:2:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(OH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]HO){1|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(OH)(H){2|C<3>,2|H<1>,2|O<2>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>,3|O<2>}	121.1250	0.000	1	121.1250	0.000	1	119.5513	2.534	10	120.2170	8.946	23	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:2:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6a,6a]-3:C[6,6a]-3:O-2:	C[6,6a](C[6,6a]N[6a]O[6])(C[6a]C[6a,6a]O)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrH)(OC)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(OC)	C[6,6a](C[6,6a]N[6a]O[6])(C[6a]C[6a,6a]O)(C[6]C[6]HO){1|Br<1>,1|C<4>,1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrH)(OC)(H){1|C<3>,1|N<2>,2|C<4>,2|O<2>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(OC){1|C<4>,1|N<2>,2|C<3>,2|H<1>,2|O<2>}	120.6480	0.000	1	120.6480	0.000	1	120.6480	0.000	1	120.2170	8.946	23	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:2:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-2:H-1:	C[6,6a]-3:C[6a]-3:N-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]N)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(CN)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(NOO)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]N)(C[6]C[6]CH){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(CN)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(NOO){1|C<2>,1|C<3>,1|H<1>,1|O<2>,2|C<4>}	120.0290	0.000	1	120.0290	0.000	1	120.0290	0.000	1	120.2344	1.371	10	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:2:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OC)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HO){1|C<4>,1|O<2>,3|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OC)(H){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)(C[6a]C[6a]H){1|O<2>,2|C<4>,3|H<1>,4|C<3>}	118.0710	0.000	1	119.1930	0.561	4	119.1930	0.561	4	120.2344	1.371	10	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:2:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OC)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HO){1|C<4>,3|C<3>,6|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OC)(H){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)(C[6a]C[6a]H){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	119.5670	0.052	3	119.1930	0.561	4	119.1930	0.561	4	120.2344	1.371	10	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:2:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:I-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]I)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OC)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(IOO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]I)(C[6]C[6]HO){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OC)(H){1|C<4>,1|I<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(IOO){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	121.4345	0.333	4	121.4345	0.111	4	121.4345	0.111	4	120.2344	1.371	10	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:2:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:N-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]N)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(OH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(NOO)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]N)(C[6]C[6]HO){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(OH)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(NOO){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	119.8050	0.000	1	119.8050	0.000	1	119.8050	0.000	1	120.2344	1.371	10	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:2:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OC)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(CHHO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]HO){1|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OC)(H){1|H<1>,2|C<3>,3|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(CHHO){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	120.0460	0.000	1	120.0460	0.000	1	120.0460	0.000	1	120.0460	0.000	1	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:2:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-2:C-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]CC)(CN)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CC){1|H<1>,1|N<3>,1|O<2>,2|C<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]CC)(CN)2{1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,2|C<2>,2|C<3>}	120.5930	0.000	1	120.5930	0.000	1	119.8240	0.449	3	119.8240	0.449	3	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:2:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-2:C-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CN)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|Br<1>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CN)2{1|N<3>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|C<2>}	119.5120	0.000	1	119.5120	0.000	1	119.8240	0.449	3	119.8240	0.449	3	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:2:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-2:C-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CN)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CC){2|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CN)2{1|N<3>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|C<2>}	119.3670	0.000	1	119.3670	0.000	1	119.8240	0.449	3	119.8240	0.449	3	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:2:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:S-2:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CS)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(SC[6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CS){1|O<2>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(SC[6a])(CH3){2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,2|C<3>,2|C<4>}	121.6490	0.000	1	121.6490	0.000	1	121.6490	0.000	1	121.6490	0.000	1	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[5,6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6a]C[6]H)(CC[6a]O)(H)	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(C[6]C[6]CH){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6a]C[6]H)(CC[6a]O)(H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6a]C[6a]O)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	121.9040	0.000	1	121.9040	0.000	1	124.1455	10.049	2	120.9758	4.684	132	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[5,6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]HH)(COO)(H)	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]CH){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]HH)(COO)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	126.3870	0.000	1	126.3870	0.000	1	124.1455	10.049	2	120.9758	4.684	132	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[5a,6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6]C[6]HN)(CCH)(H)	C[6a](C[6,6a]C[5a,6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<4>,2|C<3>,2|H<1>,2|N<3>}	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6]C[6]HN)(CCH)(H){3|C<3>,3|H<1>}	C[6a](C[6,6a]C[5a,6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	126.8740	0.578	3	126.8740	0.334	3	126.8740	0.334	3	120.9758	4.684	132	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]2H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6,6a]C[6]H)(C[6]C[6]C)(H)	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]C)(H)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]2H){1|H<1>,2|C<4>,6|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6,6a]C[6]H)(C[6]C[6]C)(H){1|C<4>,2|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]C)(H){1|C<4>,2|H<1>,3|C<3>}	121.1628	0.295	4	121.1628	0.087	4	121.1628	0.087	4	120.9758	4.684	132	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[5,6]-4:N-3:H-1:	C[5,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[5,6]HN)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(NCH)(H)	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[5,6]HN){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(NCH)(H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,3|C<4>}	116.2385	0.325	4	116.2385	0.105	4	116.2385	0.105	4	120.9758	4.684	132	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-3:F-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CF)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(COO)(F)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CF){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(COO)(F){1|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|F<1>,1|H<1>,3|C<3>}	121.5830	0.000	1	121.5830	0.000	1	121.5830	0.000	1	120.9758	4.684	132	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[5,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[5,6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6]H)(CCH)(H)	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[5,6a]H)(C[6]C[6]CH){1|O<2>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6]H)(CCH)(H){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H){1|H<1>,2|C<3>,2|C<4>,2|O<2>}	122.6240	0.000	1	122.6240	0.000	1	120.6160	3.076	3	120.9758	4.684	132	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[5,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[5,6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CCH)(H)	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[5,6a]H)(C[6]C[6]CH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CCH)(H){1|O<2>,2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H){1|H<1>,2|C<3>,2|C<4>,2|O<2>}	119.6120	0.324	2	119.6120	0.105	2	120.6160	3.076	3	120.9758	4.684	132	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]C[6a]H)(CC[6a]O)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]C[6a]H)(CC[6a]O)(H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	120.6070	0.000	1	120.6070	0.000	1	121.0238	3.340	52	120.9758	4.684	132	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(CCH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(CCH)(H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	118.5880	0.000	1	118.5880	0.000	1	121.0238	3.340	52	120.9758	4.684	132	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]CO)(COO)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]CO)(COO)(H){1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	121.2803	0.546	3	121.2803	0.298	3	121.0238	3.340	52	120.9758	4.684	132	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(CC[6a]O)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CH){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(CC[6a]O)(H){2|C<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	118.0930	0.000	1	118.0930	0.000	1	121.0238	3.340	52	120.9758	4.684	132	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HO)(CCH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]CH){1|O<2>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HO)(CCH)(H){1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	121.8170	0.000	1	121.8170	0.000	1	121.0238	3.340	52	120.9758	4.684	132	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(COO)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(COO)(H){1|H<1>,7|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	120.1490	0.000	1	120.1490	0.000	1	121.0238	3.340	52	120.9758	4.684	132	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]N[6]H)(CN[5]O)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]N[6]H)(CN[5]O)(H){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	122.3175	0.752	2	122.3175	0.565	2	121.0238	3.340	52	120.9758	4.684	132	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CN)(CCH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|Br<1>,1|C<3>,1|N<2>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CN)(CCH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H){2|C<3>,2|C<4>,2|H<1>}	119.0080	0.000	1	119.0080	0.000	1	121.0238	3.340	52	120.9758	4.684	132	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCH)(H){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	118.6700	0.000	1	118.6700	0.000	1	121.0238	3.340	52	120.9758	4.684	132	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[6a]O)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,3|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[6a]O)(H){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	117.8850	0.000	1	117.8850	0.000	1	121.0238	3.340	52	120.9758	4.684	132	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(CCO)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(CCO)(H){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	119.9840	0.000	1	119.9840	0.000	1	121.0238	3.340	52	120.9758	4.684	132	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(CC[6a]O)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(CC[6a]O)(H){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	118.0210	0.000	1	118.0210	0.000	1	121.0238	3.340	52	120.9758	4.684	132	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HP)(COO)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|C<4>,1|P<4>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HP)(COO)(H){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	118.7350	0.000	1	118.7350	0.000	1	121.0238	3.340	52	120.9758	4.684	132	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CC[6a]O)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CC[6a]O)(H){3|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	119.7120	0.000	1	119.8100	0.019	2	121.0238	3.340	52	120.9758	4.684	132	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CC[6a]O)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CC[6a]O)(H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	119.9080	0.000	1	119.8100	0.019	2	121.0238	3.340	52	120.9758	4.684	132	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CC[6a]O)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CC[6a]O)(H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	118.8990	0.000	1	118.8990	0.000	1	121.0238	3.340	52	120.9758	4.684	132	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(COO)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(COO)(H){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,1|H<1>,3|C<3>}	119.7580	0.000	1	119.9080	0.045	2	121.0238	3.340	52	120.9758	4.684	132	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(COO)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(COO)(H){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	120.0580	0.000	1	119.9080	0.045	2	121.0238	3.340	52	120.9758	4.684	132	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(COO)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(COO)(H){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	122.2585	0.152	2	122.0975	0.638	8	121.0238	3.340	52	120.9758	4.684	132	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(COO)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(COO)(H){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	122.7227	0.861	3	122.0975	0.638	8	121.0238	3.340	52	120.9758	4.684	132	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(COO)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(COO)(H){1|H<1>,1|S<4>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	121.3650	0.254	3	122.0975	0.638	8	121.0238	3.340	52	120.9758	4.684	132	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]C)(COO)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]C)(COO)(H){1|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	122.1700	0.000	1	122.1700	0.000	1	121.0238	3.340	52	120.9758	4.684	132	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(COO)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(COO)(H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	122.0003	1.267	3	122.0003	1.606	3	121.0238	3.340	52	120.9758	4.684	132	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CCH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|N<3>,2|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CCH)(H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	119.8970	0.000	1	119.8970	0.000	1	121.0238	3.340	52	120.9758	4.684	132	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CCH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|Br<1>,1|C<3>,1|N<3>,1|O<2>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CCH)(H){1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	118.9240	0.000	1	118.9240	0.000	1	121.0238	3.340	52	120.9758	4.684	132	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CC)(CNO)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CC)(CNO)(H){1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	122.0130	0.000	1	122.0130	0.000	1	121.0238	3.340	52	120.9758	4.684	132	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(CCH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|C<4>,1|S<4>,2|C<2>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(CCH)(H){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	123.6670	0.000	1	123.6670	0.000	1	121.0238	3.340	52	120.9758	4.684	132	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CN)(CCH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|N<3>,1|S<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CN)(CCH)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	123.0600	0.525	2	123.0600	0.275	2	121.0238	3.340	52	120.9758	4.684	132	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(CCH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(CCH)(H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	124.7970	0.000	1	124.7970	0.000	1	121.0238	3.340	52	120.9758	4.684	132	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]CH)(CCH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|H<1>,1|O<2>,1|S<4>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]CH)(CCH)(H){1|H<1>,1|N<2>,1|O<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,1|N<2>,1|O<2>,2|C<3>}	120.1757	1.110	3	120.1757	1.231	3	121.0238	3.340	52	120.9758	4.684	132	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(CC[5]H)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|Br<1>,1|C<3>,1|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(CC[5]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	121.4420	0.000	1	121.4420	0.000	1	121.0238	3.340	52	120.9758	4.684	132	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(CC[5]H)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(CC[5]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	122.2900	0.000	1	122.2900	0.000	1	121.0238	3.340	52	120.9758	4.684	132	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CNO)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH){3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CNO)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	122.8880	0.000	1	122.8880	0.000	1	121.0238	3.340	52	120.9758	4.684	132	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CN)(CCH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|H<1>,1|N<2>,1|O<2>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CN)(CCH)(H){1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.7860	0.000	1	120.7860	0.000	1	121.0238	3.340	52	120.9758	4.684	132	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|Cl<1>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCH)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	122.3200	0.000	1	122.3200	0.000	1	121.0238	3.340	52	120.9758	4.684	132	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(COO)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH){3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(COO)(H){1|H<1>,1|O<2>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	124.0280	0.414	2	124.0280	0.172	2	121.0238	3.340	52	120.9758	4.684	132	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCO)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|C<4>,1|O<2>,2|O<1>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCO)(H){1|S<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	118.0955	0.476	2	118.0955	0.226	2	121.0238	3.340	52	120.9758	4.684	132	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6a,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(COO)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6]CH){1|C<4>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(COO)(H){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(H){2|C<4>,2|H<1>,4|C<3>}	118.4360	0.000	1	118.4360	0.000	1	118.4360	0.000	1	120.9758	4.684	132	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6a,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]O[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(COO)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(O)	C[6,6a](C[6,6a]O[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6]CH){1|O<2>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(COO)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(O){1|C<4>,1|H<1>,2|O<2>,4|C<3>}	121.1830	1.563	2	121.1830	2.442	2	121.1830	2.442	2	120.9758	4.684	132	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]2H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]2H)(C[6]C[6]H)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]2H){1|C<4>,4|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]2H)(C[6]C[6]H)(H){1|C<4>,2|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	124.8720	0.000	1	124.8720	0.000	1	121.6288	7.950	9	120.9758	4.684	132	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]2H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6]H)(C[6]C[5,6]H)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]2H){4|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6]H)(C[6]C[5,6]H)(H){2|H<1>,7|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	118.1965	0.364	2	118.1965	0.133	2	121.6288	7.950	9	120.9758	4.684	132	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]2H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6]H)(C[6]C[6,6a]2)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]H)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]2H){2|H<1>,7|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6]H)(C[6]C[6,6a]2)(H){10|C<3>,1|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]H)(H){1|C<4>,1|H<1>,4|C<3>}	121.6040	1.047	2	121.6040	1.095	2	121.6288	7.950	9	120.9758	4.684	132	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]2C)(C[6]C[6]H)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2H){1|C<2>,1|C<4>,3|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]2C)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<2>,6|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	122.3680	0.000	1	122.3680	0.000	1	121.6288	7.950	9	120.9758	4.684	132	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]N[6]H)(C[6]N[6]O)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2H){1|C<4>,1|O<1>,2|C<3>,2|N<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]N[6]H)(C[6]N[6]O)(H){1|C<4>,3|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	124.1790	0.000	1	124.1790	0.000	1	121.6288	7.950	9	120.9758	4.684	132	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]N[6]H)(C[6]N[6]S)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2H){1|C<4>,1|S<2>,2|C<3>,2|N<2>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]N[6]H)(C[6]N[6]S)(H){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,2|C<3>,2|C<4>}	125.0730	0.000	1	125.0730	0.000	1	121.6288	7.950	9	120.9758	4.684	132	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H)(C[6]C[6]H)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2H){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H)(C[6]C[6]H)(H){2|C<3>,3|C<4>,6|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	118.5660	0.000	1	118.5660	0.000	1	121.6288	7.950	9	120.9758	4.684	132	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C[6]-3:H-1:	C[6a,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6]2H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]2C)(C[6]C[6]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6]2H){2|H<1>,3|C<4>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]2C)(C[6]C[6]H)(H){1|C<4>,2|H<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(H){2|C<4>,2|H<1>,4|C<3>}	122.1220	0.000	1	122.1220	0.000	1	122.1220	0.000	1	120.9758	4.684	132	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HN)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]CH)(NHS)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HN){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]CH)(NHS)(H){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	118.4290	0.000	1	118.4290	0.000	1	120.7367	2.765	47	120.9758	4.684	132	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]HN)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HO)(NCH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]HN){1|Cl<1>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HO)(NCH)(H){1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	122.9740	0.000	1	122.9740	0.000	1	120.7367	2.765	47	120.9758	4.684	132	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HN)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6]H)(NCH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HN){1|C<4>,2|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6]H)(NCH)(H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	119.0655	0.585	2	119.0655	0.342	2	120.7367	2.765	47	120.9758	4.684	132	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HN)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H)(NCH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HN){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H)(NCH)(H){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	121.0970	0.607	2	121.0970	0.368	2	120.7367	2.765	47	120.9758	4.684	132	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HN)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(NCH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HN){1|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(NCH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	118.4750	0.000	1	118.4750	0.000	1	120.7367	2.765	47	120.9758	4.684	132	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HN)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(NHS)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HN){1|C<2>,1|C<3>,1|C<4>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(NHS)(H){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	118.8160	0.000	1	119.9545	3.442	4	120.7367	2.765	47	120.9758	4.684	132	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HN)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(NHS)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HN){1|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(NHS)(H){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	119.1455	0.349	2	119.9545	3.442	4	120.7367	2.765	47	120.9758	4.684	132	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HN)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(NHS)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HN){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(NHS)(H){2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	122.7110	0.000	1	119.9545	3.442	4	120.7367	2.765	47	120.9758	4.684	132	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HN)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]FH)(NSS)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HN){1|C<3>,1|C<4>,1|F<1>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]FH)(NSS)(H){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	119.4603	0.693	3	119.4603	0.480	3	120.7367	2.765	47	120.9758	4.684	132	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HN)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NCH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HN){1|C<3>,1|C<4>,6|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NCH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	119.3035	0.630	8	119.3035	0.398	8	120.7367	2.765	47	120.9758	4.684	132	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HN)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NCP)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HN){1|C<3>,1|C<4>,6|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NCP)(H){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	120.3825	0.169	2	120.3825	0.029	2	120.7367	2.765	47	120.9758	4.684	132	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HN)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NC[6a]H)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HN){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NC[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	120.0930	0.000	1	120.0930	0.000	1	120.7367	2.765	47	120.9758	4.684	132	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HN)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NHS)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HN){1|C<3>,1|C<4>,6|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NHS)(H){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	119.9280	0.000	1	119.9280	0.000	1	120.7367	2.765	47	120.9758	4.684	132	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HN)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(NCH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HN){1|N<3>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(NCH)(H){2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	122.7460	0.000	1	122.7460	0.000	1	120.7367	2.765	47	120.9758	4.684	132	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HN)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(NCH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HN){1|O<2>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(NCH)(H){2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	120.7870	0.000	1	120.7870	0.000	1	120.7367	2.765	47	120.9758	4.684	132	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HN)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(NCH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HN){3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(NCH)(H){2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	119.4880	0.000	1	119.4880	0.000	1	120.7367	2.765	47	120.9758	4.684	132	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HN)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(NN[5a]H)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HN){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(NN[5a]H)(H){3|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	119.8230	0.000	1	119.8230	0.000	1	120.7367	2.765	47	120.9758	4.684	132	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HN)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(NC[6a]H)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HN){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(NC[6a]H)(H){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,2|H<1>,2|N<3>}	121.8460	0.000	1	121.8460	0.000	1	120.7367	2.765	47	120.9758	4.684	132	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HN)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(NHS)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HN){1|S<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(NHS)(H){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|N<3>}	124.4970	0.000	1	123.5795	1.684	2	120.7367	2.765	47	120.9758	4.684	132	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HN)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(NHS)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HN){1|S<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(NHS)(H){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>,2|N<3>}	122.6620	0.000	1	123.5795	1.684	2	120.7367	2.765	47	120.9758	4.684	132	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HN)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]HH)(NHH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HN){1|C<3>,1|S<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]HH)(NHH)(H){1|H<1>,1|N<2>,1|O<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	119.9240	0.000	1	119.9240	0.000	1	120.7367	2.765	47	120.9758	4.684	132	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HN)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(NHN)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HN){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(NHN)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	123.0770	0.000	1	123.0770	0.000	1	120.7367	2.765	47	120.9758	4.684	132	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HN)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(NHP)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HN){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(NHP)(H){1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	121.0710	0.000	1	121.0710	0.000	1	120.7367	2.765	47	120.9758	4.684	132	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HN)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(NHS)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HN){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(NHS)(H){1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	122.1180	0.000	1	122.1180	0.000	1	120.7367	2.765	47	120.9758	4.684	132	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HN)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(NHS)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HN){1|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(NHS)(H){1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	121.2400	0.000	1	121.2400	0.000	1	120.7367	2.765	47	120.9758	4.684	132	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HN)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CN)(NC[6a]H)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HN){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CN)(NC[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	122.3060	0.000	1	123.3187	0.779	3	120.7367	2.765	47	120.9758	4.684	132	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HN)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CN)(NC[6a]H)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HN){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CN)(NC[6a]H)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	123.8250	0.137	2	123.3187	0.779	3	120.7367	2.765	47	120.9758	4.684	132	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HN)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NC[6a]H)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HN){1|C<3>,1|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NC[6a]H)(H){1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	122.4390	0.000	1	122.4390	0.000	1	120.7367	2.765	47	120.9758	4.684	132	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HN)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NHS)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HN){1|Cl<1>,1|C<3>,1|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NHS)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	121.5225	0.820	2	121.5225	0.672	2	120.7367	2.765	47	120.9758	4.684	132	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HN)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NHS)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HN){1|C<3>,1|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NHS)(H){1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	121.7780	0.000	1	121.7780	0.000	1	120.7367	2.765	47	120.9758	4.684	132	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HN)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(NHS)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HN){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(NHS)(H){1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	122.1550	0.000	1	122.1550	0.000	1	120.7367	2.765	47	120.9758	4.684	132	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HN)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(NCH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HN){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(NCH)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	122.3580	0.000	1	122.3580	0.000	1	120.7367	2.765	47	120.9758	4.684	132	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-4:C-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]CC)(CCC)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]N[6]CH){2|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]CC)(CCC)(H){1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<4>,2|H<1>,3|C<3>}	121.0655	0.156	2	121.0655	0.024	2	121.0655	0.024	2	120.9758	4.684	132	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-4:N-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HN)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]Nb[6,6]CC)(NCC)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HN){1|Nb<6>,1|C<3>,1|H<1>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]Nb[6,6]CC)(NCC)(H){1|H<1>,1|N<2>,2|C<3>,2|N<3>,2|O<2>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,1|N<4>,1|O<2>,2|H<1>}	119.2820	0.000	1	119.2820	0.000	1	119.2820	0.000	1	120.9758	4.684	132	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:3:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)(COO)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]CH){3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)(COO)(H){1|N<3>,1|O<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<4>,2|H<1>,3|C<3>}	121.1610	0.000	1	121.1610	0.000	1	120.9237	0.552	3	121.3112	0.652	5	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:3:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(CCC)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]CH){1|O<1>,2|C<3>,2|H<1>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(CCC)(H){1|O<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OH){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	120.8050	1.010	2	120.8050	1.020	2	120.9237	0.552	3	121.3112	0.652	5	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:3:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C[6]-3:H-1:	C[6a,6a]-3:C[6,6a]-3:C-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]C)(C[6]C[6]2H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6]H)(C[6]C[6]O)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(CC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]C)(C[6]C[6]2H){1|C<2>,1|O<1>,2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6]H)(C[6]C[6]O)(H){1|C<2>,1|H<1>,1|O<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(CC){1|C<4>,2|H<1>,5|C<3>}	121.8925	0.613	2	121.8925	0.376	2	121.8925	0.376	2	121.3112	0.652	5	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:3:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6,6a]-3:C[6a]-3:N-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]N)(C[6]C[6]HN)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NCH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NCH)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]N)(C[6]C[6]HN){1|C<3>,1|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NCH)(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NCH){1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	121.9950	0.000	1	121.9950	0.000	1	121.9950	0.000	1	122.2613	1.074	4	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:3:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:N[5]-3:H-1:	C[6,6a]-3:C[5a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[5a]C[6a])(C[6]C[6]N[5]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(N[5]C[5]2)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[5a]C[5a]N[5a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[5a]C[6a])(C[6]C[6]N[5]H){1|N<2>,2|C<4>,3|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(N[5]C[5]2)(H){1|N<3>,1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[5a]C[5a]N[5a])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,2|N<3>,3|H<1>}	122.3500	1.251	3	122.3500	1.564	3	122.3500	1.564	3	122.2613	1.074	4	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C[6]-3:H-1:	C[6a,6a]-3:C[6,6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]C)(C[6]C[6]2H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]2H)(C[6]C[6]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(CHHN)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]C)(C[6]C[6]2H){1|C<4>,4|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]2H)(C[6]C[6]H)(H){1|H<1>,2|C<4>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(CHHN){2|C<4>,2|H<1>,4|C<3>}	125.3010	0.000	1	125.3010	0.000	1	125.3010	0.000	1	123.2925	8.068	2	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]C)(C[6]C[6]HN)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NC[6a]H)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CH3)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]C)(C[6]C[6]HN){1|C<3>,1|C<4>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NC[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CH3){1|C<3>,1|H<1>,2|C<4>,2|N<3>}	121.2840	0.000	1	121.2840	0.000	1	121.2840	0.000	1	123.2925	8.068	2	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(COO)(OH)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]N[6a]Cl)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CO){2|Cl<1>,1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(COO)(OH){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]N[6a]Cl)(H){1|C<4>,1|O<2>,3|C<3>}	121.7880	0.000	1	121.7880	0.000	1	120.9674	0.637	9	120.9582	1.825	14	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(COO)(OH)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]N[6a]O)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CO){1|Cl<1>,1|C<3>,1|N<2>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(COO)(OH){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]N[6a]O)(H){1|C<4>,1|O<2>,3|C<3>}	121.8440	0.000	1	121.8440	0.000	1	120.9674	0.637	9	120.9582	1.825	14	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(CCH)(OH)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CO){1|C<3>,1|N<2>,2|H<1>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(CCH)(OH){3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	121.8710	0.000	1	121.8710	0.000	1	120.9674	0.637	9	120.9582	1.825	14	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(COO)(OH)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]N[6a]Cl)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CO){2|Cl<1>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(COO)(OH){1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]N[6a]Cl)(H){1|C<4>,1|O<2>,3|C<3>}	120.8612	0.342	4	120.8612	0.117	4	120.9674	0.637	9	120.9582	1.825	14	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(CCO)(OH)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CO){1|O<2>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(CCO)(OH){2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	119.6880	0.000	1	119.6880	0.000	1	120.9674	0.637	9	120.9582	1.825	14	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(COO)(OH)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]N[6a]Cl)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CO){2|Cl<1>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(COO)(OH){1|H<1>,1|N<3>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]N[6a]Cl)(H){1|C<4>,1|O<2>,3|C<3>}	120.0710	0.000	1	120.0710	0.000	1	120.9674	0.637	9	120.9582	1.825	14	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-3:O-2:	C[6a,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]O[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6]CO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(COO)(OH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(O)	C[6,6a](C[6,6a]O[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6]CO){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(COO)(OH){1|C<3>,1|C<4>,1|H<1>,1|O<1>,2|O<2>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(O){2|C<4>,3|C<3>,3|O<2>}	119.5860	0.000	1	119.5860	0.000	1	119.5860	0.000	1	120.9582	1.825	14	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C[6]-3:C-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]2C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(C[6]C[6]2)(CN)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]2C){2|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(C[6]C[6]2)(CN){1|N<3>,2|C<4>,3|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<2>,1|C<4>,1|H<1>,1|N<3>,2|C<3>}	117.7960	0.000	1	117.7960	0.000	1	117.7960	0.000	1	120.9582	1.825	14	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C[6]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O[6]H)(C[6]O[6]C)(OC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2O){1|C<4>,2|O<2>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O[6]H)(C[6]O[6]C)(OC){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	122.2820	0.000	1	122.4420	0.071	3	122.4420	0.071	3	120.9582	1.825	14	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C[6]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O[6]H)(C[6]O[6]C)(OC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2O){1|C<4>,2|O<2>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O[6]H)(C[6]O[6]C)(OC){1|H<1>,2|C<4>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	122.5220	0.321	2	122.4420	0.071	3	122.4420	0.071	3	120.9582	1.825	14	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-3:C-3:	C[5,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(COO)2	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[6]CC){1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(COO)2{1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H){1|O<2>,3|C<3>,3|C<4>}	120.2120	0.000	1	120.2120	0.000	1	120.2120	0.000	1	121.7373	2.206	11	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-3:C-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(COO)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(COO)2{2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,4|C<3>}	122.5905	0.074	2	122.9717	0.439	3	122.6684	2.074	5	121.7373	2.206	11	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-3:C-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(COO)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC){3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(COO)2{2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,4|C<3>}	123.7340	0.000	1	122.9717	0.439	3	122.6684	2.074	5	121.7373	2.206	11	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-3:C-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(COO)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|Cl<1>,1|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(COO)2{1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	120.3790	0.000	1	120.3790	0.000	1	122.6684	2.074	5	121.7373	2.206	11	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-3:C-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(COO)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(COO)2{1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	124.0480	0.000	1	124.0480	0.000	1	122.6684	2.074	5	121.7373	2.206	11	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-3:C-3:	C[6a,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(COO)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]H)(C[6]C[6]CC){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(COO)2{1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(H){1|C<4>,1|H<1>,6|C<3>}	121.3870	0.000	1	121.3870	0.000	1	121.3870	0.000	1	121.7373	2.206	11	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C[6]-3:C-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]2H)(C[6]C[6]O)(CN[5]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2C){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]2H)(C[6]C[6]O)(CN[5]O){1|C<4>,2|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	122.9300	0.000	1	122.9300	0.000	1	122.9300	0.000	1	121.7373	2.206	11	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:N-3:C-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CN)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NC[6a]H)(COO)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CN){1|Br<1>,1|C<3>,1|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NC[6a]H)(COO){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	120.1420	0.000	1	120.1420	0.000	1	120.4130	0.145	3	121.7373	2.206	11	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:N-3:C-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CN)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NC[6a]H)(COO)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CN){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NC[6a]H)(COO){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	120.5485	0.424	2	120.5485	0.179	2	120.4130	0.145	3	121.7373	2.206	11	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C[6]-3:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]2C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(C[6]C[6]2)(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]2C){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(C[6]C[6]2)(CH3){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	120.5700	0.000	1	120.7835	0.091	2	120.7835	0.091	2	120.7835	0.091	2	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C[6]-3:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]2C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(C[6]C[6]2)(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]2C){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(C[6]C[6]2)(CH3){1|O<2>,2|C<4>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	120.9970	0.000	1	120.7835	0.091	2	120.7835	0.091	2	120.7835	0.091	2	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:2:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:O[6a]-2:O-1:	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6a]O[6a]O)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(O[6a]C[6a,6a])(O)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6a]O[6a]O)(C[6]C[6]CH){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH)(H){1|O<1>,2|C<3>,3|O<2>}	C[6a](C[6,6a]C[6,6a]C[6])(O[6a]C[6a,6a])(O){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	118.7160	0.000	1	118.7160	0.000	1	118.7160	0.000	1	118.7160	0.000	1	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[5,6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]2H)(CSi2H)(H)	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]2H)(CSi2H)(H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	125.1510	0.000	1	125.1510	0.000	1	125.4450	0.061	4	121.8676	5.453	200	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[5,6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]CH)(CC3)(H)	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]CH)(CC3)(H){2|H<1>,3|C<3>}	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	125.5430	0.186	3	125.5430	0.035	3	125.4450	0.061	4	121.8676	5.453	200	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[5a,6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6]C[6]CH)(CC3)(H)	C[6a](C[6,6a]C[5a,6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6]C[6]CH)(CC3)(H){2|H<1>,3|C<3>}	C[6a](C[6,6a]C[5a,6,6a]C[6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	126.5860	0.000	1	126.5860	0.000	1	127.6205	0.737	10	121.8676	5.453	200	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[5a,6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6]C[6]HH)(CCCH)(H)	C[6a](C[6,6a]C[5a,6,6a]C[6])(C[6a]C[6a]C)(H)	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6]C[6]HH)(CCCH)(H){3|C<3>,3|H<1>}	C[6a](C[6,6a]C[5a,6,6a]C[6])(C[6a]C[6a]C)(H){2|C<3>,2|C<4>,2|H<1>}	127.9029	0.700	8	127.9029	0.490	8	127.6205	0.737	10	121.8676	5.453	200	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[5a,6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6]C[6]HN)(CCCH)(H)	C[6a](C[6,6a]C[5a,6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<4>,2|C<3>,2|H<1>,2|N<3>}	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6]C[6]HN)(CCCH)(H){3|C<3>,3|H<1>}	C[6a](C[6,6a]C[5a,6,6a]C[6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	126.3960	0.000	1	126.3960	0.000	1	127.6205	0.737	10	121.8676	5.453	200	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6,6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]O[6]HH)(CH3)(H)	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(C[6]C[6]CH){1|O<2>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]O[6]HH)(CH3)(H){1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,3|C<4>}	120.8845	0.497	4	120.8845	0.247	4	120.8845	0.247	4	121.8676	5.453	200	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]Si[6]CH)(CCHH)(H)	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]CH){1|Si<4>,1|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]Si[6]CH)(CCHH)(H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	118.8520	1.312	2	118.8520	1.722	2	118.8520	1.722	2	121.8676	5.453	200	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:B[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]B[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6,6]Br2)(CCCH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]B[6]CH){2|Br<1>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6,6]Br2)(CCCH)(H){1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|B<4>,1|C<4>,2|C<3>,2|H<1>}	121.3280	0.000	1	121.3280	0.000	1	122.3552	2.021	9	121.8676	5.453	200	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:B[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]B[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6,6]C[6a]2)(CCCH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]B[6]CH){1|N<3>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6,6]C[6a]2)(CCCH)(H){1|H<1>,8|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|B<4>,1|C<4>,2|C<3>,2|H<1>}	122.7022	1.597	6	122.7022	2.550	6	122.3552	2.021	9	121.8676	5.453	200	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:B[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]B[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6,6]FF)(CCCH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]B[6]CH){1|N<3>,2|C<3>,2|F<1>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6,6]FF)(CCCH)(H){1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|B<4>,1|C<4>,2|C<3>,2|H<1>}	121.0920	0.000	1	121.0920	0.000	1	122.3552	2.021	9	121.8676	5.453	200	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:B[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]B[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6,6]II)(CCCH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]B[6]CH){1|N<3>,2|C<3>,2|H<1>,2|I<1>}	C[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6,6]II)(CCCH)(H){1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|B<4>,1|C<4>,2|C<3>,2|H<1>}	122.5640	0.000	1	122.5640	0.000	1	122.3552	2.021	9	121.8676	5.453	200	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[5,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)(H)	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[6]CH){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)(H){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	117.9220	0.000	1	117.9220	0.000	1	119.6460	5.944	2	121.8676	5.453	200	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[5,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(CCHO)(H)	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[6]CH){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(CCHO)(H){2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	121.3700	0.000	1	121.3700	0.000	1	119.6460	5.944	2	121.8676	5.453	200	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:Cl-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Cl)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CHHS)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(Cl)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Cl)(C[6]C[6]CH){1|Cl<1>,1|C<3>,1|N<3>,1|O<1>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CHHS)(H){1|Cl<1>,1|O<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(Cl){2|C<3>,2|C<4>,2|H<1>}	121.4950	0.000	1	121.4950	0.000	1	121.4950	0.000	1	121.8676	5.453	200	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:F-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]F)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(F)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]F)(C[6]C[6]CH){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)(H){1|C<4>,1|H<1>,2|C<3>,2|F<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(F){1|C<3>,2|H<1>,3|C<4>}	119.3090	0.000	1	119.3090	0.000	1	119.3090	0.000	1	121.8676	5.453	200	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]HH)(CCCH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]HH)(CCCH)(H){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	121.1200	0.000	1	121.1200	0.000	1	121.4919	3.314	142	121.8676	5.453	200	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]HH)(CH3)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]HH)(CH3)(H){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	121.4895	0.247	2	121.4895	0.061	2	121.4919	3.314	142	121.8676	5.453	200	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]CH)(CCHH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]CH)(CCHH)(H){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	119.9440	0.000	1	119.9440	0.000	1	121.4919	3.314	142	121.8676	5.453	200	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CHHN)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CHHN)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	120.3580	0.000	1	120.3580	0.000	1	121.4919	3.314	142	121.8676	5.453	200	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]CC)(CCCN)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CH){2|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]CC)(CCCN)(H){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	120.9100	0.000	1	120.9100	0.000	1	121.4919	3.314	142	121.8676	5.453	200	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3x6]HH)(CHHN)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3x6]HH)(CHHN)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	119.9870	0.000	1	119.9870	0.000	1	121.4919	3.314	142	121.8676	5.453	200	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCCH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCCH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|C<3>,2|H<1>,3|C<4>}	119.1840	0.000	1	119.1840	0.000	1	121.4919	3.314	142	121.8676	5.453	200	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(CCHH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]CH){3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(CCHH)(H){1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	121.8895	1.481	2	121.8895	2.195	2	121.4919	3.314	142	121.8676	5.453	200	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]H)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){2|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]H)(H){1|H<1>,2|C<3>,3|C<4>}	117.1020	0.994	3	117.1020	0.988	3	121.4919	3.314	142	121.8676	5.453	200	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]O)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)(H){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]O)(H){1|H<1>,2|C<3>,3|C<4>}	121.0907	0.819	7	121.0907	0.670	7	121.4919	3.314	142	121.8676	5.453	200	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]H)(H)	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)(H){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	118.5255	0.293	2	118.5255	0.086	2	121.4919	3.314	142	121.8676	5.453	200	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(CC3)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(CC3)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	122.3830	0.000	1	122.3830	0.000	1	121.4919	3.314	142	121.8676	5.453	200	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(CH3)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(CH3)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	121.2010	0.000	1	121.2010	0.000	1	121.4919	3.314	142	121.8676	5.453	200	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]N[6]H)(CHHO)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]N[6]H)(CHHO)(H){1|C<4>,1|H<1>,1|S<2>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	120.8770	0.000	1	120.8770	0.000	1	121.4919	3.314	142	121.8676	5.453	200	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CHHO)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CHHO)(H){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	120.4930	0.426	3	120.4930	0.182	3	121.4919	3.314	142	121.8676	5.453	200	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CNiHH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|Ni<5>,1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CNiHH)(H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	123.7930	0.000	1	123.7930	0.000	1	121.4919	3.314	142	121.8676	5.453	200	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC3)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|O<1>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC3)(H){1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	121.5940	0.212	2	121.5940	0.045	2	121.4919	3.314	142	121.8676	5.453	200	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCCH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|O<1>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCCH)(H){1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	122.8280	0.000	1	122.5715	0.132	2	121.4919	3.314	142	121.8676	5.453	200	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCCH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){2|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCCH)(H){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	122.3150	0.000	1	122.5715	0.132	2	121.4919	3.314	142	121.8676	5.453	200	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	120.1720	0.000	1	120.1720	0.000	1	121.4919	3.314	142	121.8676	5.453	200	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|O<1>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH)(H){1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	121.3420	0.499	2	121.3420	0.249	2	121.4919	3.314	142	121.8676	5.453	200	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,2|H<1>,3|C<4>}	118.0630	0.000	1	118.0630	0.000	1	121.4919	3.314	142	121.8676	5.453	200	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHO)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|C<4>,1|O<1>,2|H<1>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHO)(H){3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){2|C<3>,2|C<4>,2|H<1>}	117.7270	0.000	1	117.7270	0.000	1	121.4919	3.314	142	121.8676	5.453	200	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[6a]CC)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|C<4>,6|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[6a]CC)(H){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	119.9255	0.208	4	119.9255	0.043	4	121.4919	3.314	142	121.8676	5.453	200	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)(H){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	120.6990	0.000	1	118.5710	3.399	3	121.4919	3.314	142	121.8676	5.453	200	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)(H){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	117.5070	0.072	2	118.5710	3.399	3	121.4919	3.314	142	121.8676	5.453	200	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CHOP)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|C<4>,6|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CHOP)(H){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	120.3220	0.000	1	120.3220	0.000	1	121.4919	3.314	142	121.8676	5.453	200	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(CHHO)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(CHHO)(H){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	118.2120	0.000	1	118.2120	0.000	1	121.4919	3.314	142	121.8676	5.453	200	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(CN[5]HH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(CN[5]HH)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	119.3780	0.000	1	119.3780	0.000	1	121.4919	3.314	142	121.8676	5.453	200	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CHHO)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CHHO)(H){2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	121.0155	0.749	2	121.0155	0.561	2	121.4919	3.314	142	121.8676	5.453	200	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]C)(CCHH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|O<2>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]C)(CCHH)(H){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	120.8810	0.000	1	120.8810	0.000	1	121.4919	3.314	142	121.8676	5.453	200	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CBrCH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|N<3>,1|O<1>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CBrCH)(H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	122.9480	0.000	1	122.9480	0.000	1	121.4919	3.314	142	121.8676	5.453	200	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CCHH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|N<3>,1|O<1>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CCHH)(H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	122.8150	0.000	1	122.8150	0.000	1	121.4919	3.314	142	121.8676	5.453	200	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CC[3]HH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|N<3>,1|O<1>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CC[3]HH)(H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	124.5340	0.000	1	124.5340	0.000	1	121.4919	3.314	142	121.8676	5.453	200	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CC[6a]HH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|N<3>,6|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CC[6a]HH)(H){1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	119.8840	0.000	1	119.8840	0.000	1	121.4919	3.314	142	121.8676	5.453	200	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CPdHH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|N<4>,6|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CPdHH)(H){1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	121.7970	0.000	1	121.7970	0.000	1	121.4919	3.314	142	121.8676	5.453	200	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(CH3)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|Cl<1>,1|C<4>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(CH3)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	124.6230	0.000	1	124.6230	0.000	1	121.4919	3.314	142	121.8676	5.453	200	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CCCH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<4>,1|S<4>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CCCH)(H){1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	120.9085	0.230	2	120.9085	0.053	2	121.4919	3.314	142	121.8676	5.453	200	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CCHH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CCHH)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	123.3440	0.000	1	123.3440	0.000	1	121.4919	3.314	142	121.8676	5.453	200	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CHHN)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CHHN)(H){1|H<1>,1|N<2>,1|O<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	123.0975	0.739	2	123.0975	0.546	2	121.4919	3.314	142	121.8676	5.453	200	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CS)(CCHH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CS)(CCHH)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	124.5980	0.000	1	124.5980	0.000	1	121.4919	3.314	142	121.8676	5.453	200	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|Br<1>,1|C<3>,1|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH)(H){1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	120.8360	0.000	1	120.8360	0.000	1	121.4919	3.314	142	121.8676	5.453	200	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|Br<1>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	121.0310	0.000	1	121.0310	0.000	1	121.4919	3.314	142	121.8676	5.453	200	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[6a]2O)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[6a]2O)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	121.2520	0.000	1	121.2520	0.000	1	121.4919	3.314	142	121.8676	5.453	200	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]F)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|C<4>,1|F<1>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)(H){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]F)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	120.7810	0.000	1	120.7810	0.000	1	121.4919	3.314	142	121.8676	5.453	200	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	120.7210	0.000	1	120.7210	0.000	1	121.4919	3.314	142	121.8676	5.453	200	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CHHN)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|C<4>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CHHN)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|F<1>,1|H<1>,1|N<3>,2|C<4>}	121.7240	0.000	1	121.7240	0.000	1	121.4919	3.314	142	121.8676	5.453	200	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(CCHH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|C<4>,1|N<3>,1|S<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(CCHH)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	123.5650	2.097	2	124.2147	3.465	3	121.4919	3.314	142	121.8676	5.453	200	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(CCHH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|C<4>,1|N<3>,1|S<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(CCHH)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|H<1>,1|N<3>,2|C<4>}	125.5140	0.000	1	124.2147	3.465	3	121.4919	3.314	142	121.8676	5.453	200	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(CCHO)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(CCHO)(H){1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	121.5810	0.000	1	121.5810	0.000	1	121.4919	3.314	142	121.8676	5.453	200	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(CH3)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|C<4>,1|O<2>,1|S<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(CH3)(H){1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	119.0590	0.000	1	119.0590	0.000	1	121.4919	3.314	142	121.8676	5.453	200	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HS)(CCHH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]F)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<4>,1|H<1>,1|S<4>,2|C<3>,2|F<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HS)(CCHH)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]F)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	121.7900	0.000	1	121.7900	0.000	1	121.4919	3.314	142	121.8676	5.453	200	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HS)(CCHH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<4>,1|S<4>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HS)(CCHH)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	122.3790	0.000	1	122.3790	0.000	1	121.4919	3.314	142	121.8676	5.453	200	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]SiH)(CH3)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|Si<4>,1|C<3>,1|C<4>,1|S<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]SiH)(CH3)(H){1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	122.9070	0.000	1	122.9070	0.000	1	121.4919	3.314	142	121.8676	5.453	200	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CCHH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CCHH)(H){1|N<3>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	124.4040	0.000	1	124.4040	0.000	1	121.4919	3.314	142	121.8676	5.453	200	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]CH)(CCCH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|O<2>,1|S<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]CH)(CCCH)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	119.0600	0.000	1	119.0600	0.000	1	121.4919	3.314	142	121.8676	5.453	200	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]HH)(CCCH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|C<4>,1|O<2>,1|S<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]HH)(CCCH)(H){1|H<1>,1|N<2>,1|O<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	121.4410	0.000	1	121.4410	0.000	1	121.4919	3.314	142	121.8676	5.453	200	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]HH)(CCHH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|S<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]HH)(CCHH)(H){1|H<1>,1|N<2>,1|O<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	121.6920	0.000	1	122.1044	0.442	5	121.4919	3.314	142	121.8676	5.453	200	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]HH)(CCHH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|S<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]HH)(CCHH)(H){1|H<1>,1|N<2>,1|O<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	122.2075	0.720	4	122.1044	0.442	5	121.4919	3.314	142	121.8676	5.453	200	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]HH)(CHHS)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|S<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]HH)(CHHS)(H){1|H<1>,1|N<2>,1|O<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	119.7470	0.000	1	119.7470	0.000	1	121.4919	3.314	142	121.8676	5.453	200	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6]H)(CCHH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6]H)(CCHH)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	122.2243	1.305	3	122.2243	1.704	3	121.4919	3.314	142	121.8676	5.453	200	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6]H)(CCHH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6]H)(CCHH)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	124.1000	0.376	2	124.1000	0.142	2	121.4919	3.314	142	121.8676	5.453	200	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H)(CCHH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H)(CCHH)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	122.8175	0.646	2	122.8175	0.417	2	121.4919	3.314	142	121.8676	5.453	200	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H)(CCHH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H)(CCHH)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>,2|O<2>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	123.1210	1.206	3	123.2650	1.053	4	121.4919	3.314	142	121.8676	5.453	200	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H)(CCHH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H)(CCHH)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	123.6970	0.000	1	123.2650	1.053	4	121.4919	3.314	142	121.8676	5.453	200	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(CHHN)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(CHHN)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	125.8640	0.000	1	125.8640	0.000	1	121.4919	3.314	142	121.8676	5.453	200	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CCCH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<2>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CCCH)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	123.0990	0.000	1	122.0100	2.372	2	121.4919	3.314	142	121.8676	5.453	200	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CCCH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CCCH)(H){1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	120.9210	0.000	1	122.0100	2.372	2	121.4919	3.314	142	121.8676	5.453	200	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CCHH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CCHH)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	123.2215	0.494	2	123.2215	0.244	2	121.4919	3.314	142	121.8676	5.453	200	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CCHH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CCHH)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	124.3020	0.000	1	124.1215	0.065	2	121.4919	3.314	142	121.8676	5.453	200	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CCHH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH){3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CCHH)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	123.9410	0.000	1	124.1215	0.065	2	121.4919	3.314	142	121.8676	5.453	200	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CC[6a]2O)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CC[6a]2O)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	123.8150	0.000	1	123.8150	0.000	1	121.4919	3.314	142	121.8676	5.453	200	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CHHN)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CHHN)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	121.5270	0.000	1	121.5270	0.000	1	121.4919	3.314	142	121.8676	5.453	200	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CHHN)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CHHN)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	122.8330	0.276	2	122.8330	0.076	2	121.4919	3.314	142	121.8676	5.453	200	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CN)(CCHH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|Br<1>,1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CN)(CCHH)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	122.8050	0.000	1	122.8050	0.000	1	121.4919	3.314	142	121.8676	5.453	200	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CN)(CHHN)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CN)(CHHN)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	123.7685	0.863	2	123.7685	0.745	2	121.4919	3.314	142	121.8676	5.453	200	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO)(CCCH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO)(CCCH)(H){1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|F<1>,1|H<1>,1|O<2>,2|C<4>}	121.6270	0.000	1	121.6270	0.000	1	121.4919	3.314	142	121.8676	5.453	200	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|Br<1>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	122.4000	0.000	1	122.4000	0.000	1	121.4919	3.314	142	121.8676	5.453	200	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH)(H){1|H<1>,1|O<2>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	123.1270	0.000	1	122.6410	0.472	2	121.4919	3.314	142	121.8676	5.453	200	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH)(H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	122.1550	0.000	1	122.6410	0.472	2	121.4919	3.314	142	121.8676	5.453	200	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	121.3480	0.000	1	121.3480	0.000	1	121.4919	3.314	142	121.8676	5.453	200	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[6a]2O)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH){2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[6a]2O)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	122.9620	0.000	1	122.9620	0.000	1	121.4919	3.314	142	121.8676	5.453	200	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	125.0230	0.000	1	125.0230	0.000	1	121.4919	3.314	142	121.8676	5.453	200	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CHHN)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CHHN)(H){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	121.6240	0.000	1	121.6495	0.001	2	121.4919	3.314	142	121.8676	5.453	200	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CHHN)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CHHN)(H){2|C<3>,2|H<1>,2|O<2>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	121.6750	0.000	1	121.6495	0.001	2	121.4919	3.314	142	121.8676	5.453	200	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CHHN)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CHHN)(H){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	121.7500	0.000	1	121.7500	0.000	1	121.4919	3.314	142	121.8676	5.453	200	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(CCHH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|Br<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(CCHH)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	120.1620	0.000	1	120.0175	0.042	2	121.4919	3.314	142	121.8676	5.453	200	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(CCHH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|Br<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(CCHH)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	119.8730	0.000	1	120.0175	0.042	2	121.4919	3.314	142	121.8676	5.453	200	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(CCHH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(CCHH)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	119.4890	0.000	1	120.6285	2.597	2	121.4919	3.314	142	121.8676	5.453	200	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(CCHH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(CCHH)(H){1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	121.7680	0.000	1	120.6285	2.597	2	121.4919	3.314	142	121.8676	5.453	200	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(CCHH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(CCHH)(H){1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	121.5650	0.000	1	121.4013	0.091	3	121.4919	3.314	142	121.8676	5.453	200	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(CCHH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(CCHH)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	121.3195	0.377	2	121.4013	0.091	3	121.4919	3.314	142	121.8676	5.453	200	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(CC[6]HN)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(CC[6]HN)(H){1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	121.2620	0.000	1	121.2620	0.000	1	121.4919	3.314	142	121.8676	5.453	200	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(CC[6a]CH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(CC[6a]CH)(H){1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	119.6640	0.000	1	119.6640	0.000	1	121.4919	3.314	142	121.8676	5.453	200	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CHHN)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CHHN)(H){2|H<1>,2|O<2>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	121.1100	0.000	1	121.1100	0.000	1	121.4919	3.314	142	121.8676	5.453	200	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(CCHH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(CCHH)(H){1|S<2>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|S<2>,2|C<4>,2|H<1>}	120.3010	0.000	1	120.3010	0.000	1	121.4919	3.314	142	121.8676	5.453	200	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CCHH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|C<4>,1|N<3>,2|O<1>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CCHH)(H){1|S<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|C<3>,1|S<4>,2|C<4>,2|H<1>}	118.8580	0.000	1	118.8580	0.000	1	121.4919	3.314	142	121.8676	5.453	200	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]CC)(CH3)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N)(H)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|H<1>,1|N<3>,2|C<2>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]CC)(CH3)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	120.4308	0.988	4	120.4308	0.976	4	121.4919	3.314	142	121.8676	5.453	200	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(CH3)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(CH3)(H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	119.3540	0.000	1	119.3540	0.000	1	121.4919	3.314	142	121.8676	5.453	200	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(CClHH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(CClHH)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	120.5330	0.000	1	120.5330	0.000	1	121.4919	3.314	142	121.8676	5.453	200	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]CH)(CCHH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<2>,1|N<2>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]CH)(CCHH)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	121.7060	0.000	1	121.7060	0.000	1	121.4919	3.314	142	121.8676	5.453	200	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]Nb[6,6]HH)(CH3)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CH){1|Nb<5>,1|C<4>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]Nb[6,6]HH)(CH3)(H){1|H<1>,1|N<2>,1|O<2>,2|C<3>,2|N<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	123.5115	0.824	2	123.5115	0.679	2	121.4919	3.314	142	121.8676	5.453	200	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:I-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]I)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CH3)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(I)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]I)(C[6]C[6]CH){1|O<2>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CH3)(H){1|I<1>,1|O<1>,1|O<2>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(I){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	125.3810	0.000	1	125.3810	0.000	1	125.3810	0.000	1	121.8676	5.453	200	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6a,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a,6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(H)	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a,6a]H)(C[6]C[6]CH){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<2>,3|C<4>}	123.7800	0.000	1	123.7800	0.000	1	123.7800	0.000	1	121.8676	5.453	200	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6]H)(C[6]C[6a]O[6]H)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6]H)(C[6]C[6a]O[6]H)(H){1|O<2>,2|H<1>,8|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	122.9814	0.538	5	122.5492	1.352	6	123.1608	1.256	13	121.8676	5.453	200	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6]H)(C[6]C[6a]O[6]H)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2H){1|C<4>,1|O<2>,3|C<3>,6|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6]H)(C[6]C[6a]O[6]H)(H){1|C<4>,1|O<2>,2|H<1>,7|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	120.3880	0.000	1	122.5492	1.352	6	123.1608	1.256	13	121.8676	5.453	200	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]2H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6]H)(C[6]C[6]HH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]2H){1|C<4>,3|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6]H)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,3|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	124.4890	0.000	1	124.2763	0.066	4	123.1608	1.256	13	121.8676	5.453	200	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]2H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6]H)(C[6]C[6]HH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]2H){1|C<4>,3|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6]H)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,3|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	124.2053	0.262	3	124.2763	0.066	4	123.1608	1.256	13	121.8676	5.453	200	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]2H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H)(C[6]C[6]CO)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]2H){1|Cl<1>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H)(C[6]C[6]CO)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	122.3050	0.000	1	122.3050	0.000	1	123.1608	1.256	13	121.8676	5.453	200	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]2H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O[6]H)(C[6]C[6]2H)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]2H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O[6]H)(C[6]C[6]2H)(H){2|C<3>,2|H<1>,2|O<1>,2|O<2>,3|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	123.4730	0.000	1	123.4730	0.000	1	123.1608	1.256	13	121.8676	5.453	200	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]2H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O[6]H)(C[6]C[6]CH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]2H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O[6]H)(C[6]C[6]CH)(H){1|C<4>,1|H<1>,2|C<3>,2|O<1>,2|O<2>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	122.9120	0.000	1	122.9120	0.000	1	123.1608	1.256	13	121.8676	5.453	200	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:N-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HN)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NCHH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HN){1|C<4>,2|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NCHH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<4>,2|C<4>,2|H<1>}	118.6030	0.099	2	118.6030	0.010	2	119.1202	0.591	4	121.8676	5.453	200	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:N-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]HN)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(NCHH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]HN){1|C<3>,1|N<3>,2|O<1>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(NCHH)(H){1|S<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<4>,1|S<4>,2|H<1>}	119.6375	0.832	2	119.6375	0.693	2	119.1202	0.591	4	121.8676	5.453	200	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:P-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HP)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(PC[6a]2O)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]H)(H)	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HP){1|C<3>,1|C<4>,1|N<2>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(PC[6a]2O)(H){1|N<3>,1|P<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|P<4>,2|C<3>}	121.3530	0.000	1	121.3530	0.000	1	121.3530	0.000	1	121.8676	5.453	200	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:S-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HS)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HS){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO)(H){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|N<3>,1|S<4>,2|H<1>}	119.9410	0.000	1	119.9410	0.000	1	119.9410	0.000	1	121.8676	5.453	200	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-4:C-4:H-1:	C[5,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]N[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]CC)(CC[6a]HH)(H)	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]N[6]CH){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]CC)(CC[6a]HH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H){1|C<3>,1|H<1>,1|N<4>,1|O<2>,3|C<4>}	117.2750	0.000	1	117.2750	0.000	1	117.2750	0.000	1	121.8676	5.453	200	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]CC)(CC[6a]HH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]CC)(CC[6a]HH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<4>,1|O<2>,2|C<4>}	117.6000	0.000	1	117.6000	0.000	1	118.5515	1.811	2	121.8676	5.453	200	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]CH)(CCHH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]CH)(CCHH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<4>,2|C<4>,2|H<1>}	119.5030	0.000	1	119.5030	0.000	1	118.5515	1.811	2	121.8676	5.453	200	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:P[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]P[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(P[6]C[6,6a]C[6a]O)(CCHH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]P[6]CH){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(P[6]C[6,6a]C[6a]O)(CCHH)(H){1|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|P<4>,2|C<3>,2|H<1>}	118.7430	0.000	1	118.7430	0.000	1	118.7430	0.000	1	121.8676	5.453	200	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:2:	C[6,6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HH)(CH3)(H)	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]O)(OC)	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(C[6]C[6]CH){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HH)(CH3)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]O)(OC){1|C<3>,1|H<1>,4|C<4>}	118.3130	0.000	1	118.3130	0.000	1	120.4060	3.322	3	120.4033	1.706	11	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:2:	C[6,6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]O[6]HH)(CH3)(H)	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]H)(OH)	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(C[6]C[6]CH){1|O<2>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]O[6]HH)(CH3)(H){1|O<2>,3|C<3>}	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]H)(OH){1|H<1>,2|C<3>,3|C<4>}	121.4525	0.271	2	121.4525	0.073	2	120.4060	3.322	3	120.4033	1.706	11	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:2:	C[6,6a,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6a,6a])(C[6a]C[6a]O)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6,6a]HO)(CH3)(H)	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(OH)	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6a,6a])(C[6a]C[6a]O)(C[6]C[6]CH){1|O<2>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6,6a]HO)(CH3)(H){1|O<2>,4|C<3>}	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(OH){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	121.9910	0.000	1	121.9910	0.000	1	121.9910	0.000	1	120.4033	1.706	11	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]CH){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)(H){1|C<4>,1|F<1>,1|H<1>,1|O<2>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>,3|C<4>}	119.3680	0.000	1	119.3680	0.000	1	120.6776	0.771	5	120.4033	1.706	11	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]O)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(CCHH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(OC)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]O)(C[6]C[6]CH){1|Br<1>,1|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(CCHH)(H){1|O<2>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(OC){2|C<3>,2|C<4>,2|H<1>}	120.9500	0.000	1	120.9500	0.000	1	120.6776	0.771	5	120.4033	1.706	11	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]CH){1|C<4>,2|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)(H){1|C<4>,1|H<1>,1|O<2>,1|S<4>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	120.3950	0.000	1	120.3950	0.000	1	120.6776	0.771	5	120.4033	1.706	11	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CHHO)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]CH){1|C<3>,1|C<4>,6|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CHHO)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	120.9220	0.000	1	120.9220	0.000	1	120.6776	0.771	5	120.4033	1.706	11	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(CCCH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]CH){1|O<1>,2|C<3>,2|H<1>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(CCCH)(H){1|O<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OH){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	121.7530	0.000	1	121.7530	0.000	1	120.6776	0.771	5	120.4033	1.706	11	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]N[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]HH)(CH3)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]N[6]CH){1|C<4>,2|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]HH)(CH3)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)(OC){1|H<1>,1|N<4>,1|O<2>,2|C<4>,3|C<3>}	118.9195	0.163	2	118.9195	0.027	2	118.9195	0.027	2	120.4033	1.706	11	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:3:	C[6,6a,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:C-3:	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6a,6a])(C[6a]C[6a]C)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6,6a]HO)(CCHH)(H)	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]C)(CNO)	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6a,6a])(C[6a]C[6a]C)(C[6]C[6]CH){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6,6a]HO)(CCHH)(H){5|C<3>}	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]C)(CNO){2|C<3>,2|C<4>,2|H<1>}	122.4955	0.640	2	122.4955	0.410	2	122.4955	0.410	2	121.7173	0.949	4	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CHHN)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CCH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]CH){1|C<3>,1|C<4>,6|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CHHN)(H){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CCH){1|C<3>,1|F<1>,1|H<1>,3|C<4>}	120.8490	0.000	1	120.8490	0.000	1	120.8490	0.000	1	121.7173	0.949	4	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]CH){1|C<4>,1|O<2>,3|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH)(H){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)(C[6a]C[6a]O){3|C<3>,3|H<1>,4|C<4>}	121.0290	0.000	1	121.0290	0.000	1	121.0290	0.000	1	121.7173	0.949	4	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:4:	C[6,6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]C)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]O[6]CH)(CH3)(H)	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]O)(CH3)	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]C)(C[6]C[6]CH){1|C<3>,2|C<4>,2|H<1>,3|O<2>}	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]O[6]CH)(CH3)(H){2|C<3>,2|C<4>}	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]O)(CH3){1|C<3>,2|H<1>,3|C<4>}	120.2620	0.000	1	120.2620	0.000	1	120.2620	0.000	1	120.9309	1.554	8	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[5a,6a]-3:C[6,6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5a,6a]C)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(CH3)(H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6,6a]C[6,6a]C[6])(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5a,6a]C)(C[6]C[6]CH){2|H<1>,2|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(CH3)(H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6,6a]C[6,6a]C[6])(CH3){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	120.4270	0.000	1	120.4270	0.000	1	120.4270	0.000	1	120.9309	1.554	8	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]C)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CH3)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]C)(C[6]C[6]CH){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)(H){1|Br<1>,1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CH3){1|C<3>,2|H<1>,3|C<4>}	119.1950	0.000	1	119.3335	0.038	2	121.1263	1.990	6	120.9309	1.554	8	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]C)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CH3)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]C)(C[6]C[6]CH){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)(H){1|F<1>,1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CH3){1|C<3>,2|H<1>,3|C<4>}	119.4720	0.000	1	119.3335	0.038	2	121.1263	1.990	6	120.9309	1.554	8	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]CH){1|O<2>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)(H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(CH3){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	122.0410	0.000	1	122.0410	0.000	1	121.1263	1.990	6	120.9309	1.554	8	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(CH3)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]CH){1|C<3>,1|C<4>,1|H<1>,1|O<1>,3|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(CH3)(H){1|C<4>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(CH3){1|H<1>,2|C<4>,3|C<3>}	122.2245	0.084	2	122.2245	0.007	2	121.1263	1.990	6	120.9309	1.554	8	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CO)(CH3)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]CH){1|C<3>,1|C<4>,1|O<1>,4|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CO)(CH3)(H){1|C<4>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(CH3){1|H<1>,2|C<3>,3|C<4>}	121.6010	0.000	1	121.6010	0.000	1	121.1263	1.990	6	120.9309	1.554	8	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:4:2:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6a,6a])(C[6a]C[6a]H)(C[6]C[6]CO)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6,6a]HO)(CCHH)(OH)	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6a,6a])(C[6a]C[6a]H)(C[6]C[6]CO){1|O<2>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6,6a]HO)(CCHH)(OH){1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	120.5600	0.000	1	120.5600	0.000	1	120.5600	0.000	1	119.9428	1.835	17	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:4:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(CH3)(OH)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CO){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(CH3)(OH){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H){1|O<2>,2|C<3>,3|C<4>}	118.8590	0.000	1	118.8590	0.000	1	119.7130	2.043	13	119.9428	1.835	17	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:4:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]CO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HN)(CCCH)(OH)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]CO){1|N<2>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HN)(CCCH)(OH){1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	120.3270	0.000	1	120.3270	0.000	1	119.7130	2.043	13	119.9428	1.835	17	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:4:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(CH3)(OH)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CO){2|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(CH3)(OH){3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	117.2590	0.000	1	117.2590	0.000	1	119.7130	2.043	13	119.9428	1.835	17	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:4:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCFF)(OH)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CO){1|C<3>,1|C<4>,6|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCFF)(OH){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	119.6720	0.000	1	119.6720	0.000	1	119.7130	2.043	13	119.9428	1.835	17	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:4:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N[6]H)(CH3)(OH)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]F)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CO){1|F<1>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N[6]H)(CH3)(OH){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]F)(H){1|F<1>,1|O<2>,2|C<3>,2|C<4>}	120.0690	0.000	1	120.0690	0.000	1	119.7130	2.043	13	119.9428	1.835	17	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:4:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(CCHH)(OH)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CO){1|N<3>,2|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(CCHH)(OH){1|C<4>,1|H<1>,1|S<4>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	121.9800	0.000	1	121.9800	0.000	1	119.7130	2.043	13	119.9428	1.835	17	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:4:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]FF)(CF3)(OH)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CO){1|C<3>,1|C<4>,1|O<2>,2|F<1>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]FF)(CF3)(OH){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	119.8740	0.000	1	119.8740	0.000	1	119.7130	2.043	13	119.9428	1.835	17	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:4:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CF3)(OH)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CO){2|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CF3)(OH){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|N<3>}	121.1280	0.000	1	121.1280	0.000	1	119.7130	2.043	13	119.9428	1.835	17	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:4:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)(OH)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CO){1|S<4>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)(OH){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	118.8800	1.208	2	118.8800	1.459	2	119.7130	2.043	13	119.9428	1.835	17	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:4:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CC[6a]2H)(OH)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CO){1|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CC[6a]2H)(OH){1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	119.0685	2.047	2	119.0685	4.191	2	119.7130	2.043	13	119.9428	1.835	17	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:4:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[5a]CH)(OH)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CO){1|C<3>,1|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[5a]CH)(OH){1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	121.2040	0.000	1	121.2040	0.000	1	119.7130	2.043	13	119.9428	1.835	17	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:4:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C[6]-4:C-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[3,6]O)(C[6]C[6]HH)(CN)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2C){2|C<3>,2|C<4>,2|O<2>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[3,6]O)(C[6]C[6]HH)(CN){1|O<2>,2|C<4>,4|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,1|H<1>,3|C<4>}	120.1920	0.392	2	120.1920	0.153	2	120.1920	0.153	2	119.9428	1.835	17	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:4:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C[6]-4:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N[6]H)(C[6]C[6]HH)(OH)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2O){1|C<3>,1|N<3>,2|C<4>,7|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N[6]H)(C[6]C[6]HH)(OH){1|F<1>,2|C<4>,4|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	121.8150	0.000	1	121.8150	0.000	1	121.8150	0.000	1	119.9428	1.835	17	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:4:2:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:O-2:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]CO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6]H)(CH3)(OH)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]CO){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6]H)(CH3)(OH){1|C<4>,1|H<1>,2|O<2>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OH){2|C<3>,2|C<4>,2|O<2>}	118.1780	0.000	1	118.1780	0.000	1	118.1780	0.000	1	118.1780	0.000	1	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:4:2:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[5]-4:C[6]-4:O-2:	C[6,6a]-3:N[5]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N[5])(C[6]C[5]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]O[5]H)(C[6]C[6]HH)(OH)	C[6a](C[6,6a]C[6,6a]C[6])(N[5]C[5,5]C[5])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N[5])(C[6]C[5]C[6]O){1|O<2>,2|C<4>,4|C<3>,6|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]O[5]H)(C[6]C[6]HH)(OH){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(N[5]C[5,5]C[5])(C[6a]C[6a]H){1|H<1>,1|O<1>,2|C<3>,2|O<2>,5|C<4>}	122.3360	0.000	1	122.3360	0.000	1	122.3360	0.000	1	122.7120	0.514	3	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:4:2:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[5]-4:C[6]-4:O-2:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N[6])(C[6]C[5]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]O[5]H)(C[6]C[6]HH)(OH)	C[6a](C[6,6a]C[6,6a]C[6])(N[6]C[5,6]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N[6])(C[6]C[5]C[6]O){1|O<2>,2|C<4>,3|C<3>,7|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]O[5]H)(C[6]C[6]HH)(OH){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(N[6]C[5,6]C[6])(C[6a]C[6a]H){1|H<1>,1|O<1>,2|O<2>,3|C<3>,4|C<4>}	122.9000	0.904	2	122.9000	0.817	2	122.9000	0.817	2	122.7120	0.514	3	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:4:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:C-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)(COO)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|C<4>,2|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)(COO){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H){3|C<3>,3|C<4>}	117.5720	1.032	2	117.5720	1.066	2	118.3800	2.491	3	118.6370	1.925	4	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:4:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:C-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(CH3)(CCH)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CC){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(CH3)(CCH){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	119.9960	0.000	1	119.9960	0.000	1	118.3800	2.491	3	118.6370	1.925	4	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:4:3:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:N-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CN)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[6a]HH)(NHS)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CN){1|Br<1>,1|C<3>,1|C<4>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[6a]HH)(NHS){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	119.4080	0.000	1	119.4080	0.000	1	119.4080	0.000	1	118.6370	1.925	4	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:4:3:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:C-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)(COO)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(OH)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(C[6]C[6]CC){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)(COO){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(OH){2|C<3>,4|C<4>}	116.9350	0.619	3	116.9350	0.383	3	116.9350	0.383	3	116.9350	0.383	3	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:4:4:	3:2:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6,6a]-3:O[6a]-2:O-1:	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6a]O[6a]O)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(CH3)2	C[6a](C[6,6a]C[6,6a]C[6])(O[6a]C[6a,6a])(O)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6a]O[6a]O)(C[6]C[6]CC){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(CH3)2{1|O<1>,2|O<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(O[6a]C[6a,6a])(O){1|O<2>,2|C<3>,3|C<4>}	118.6500	0.471	3	118.6500	0.222	3	118.9023	0.372	6	118.9023	0.372	6	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:4:4:	3:2:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6,6a]-3:O[6a]-2:O-1:	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6a]O[6a]O)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2	C[6a](C[6,6a]C[6,6a]C[6])(O[6a]C[6a,6a])(O)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6a]O[6a]O)(C[6]C[6]CC){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|O<2>}	C[6a](C[6,6a]C[6,6a]C[6])(O[6a]C[6a,6a])(O){1|O<2>,2|C<3>,3|C<4>}	119.3160	0.936	2	119.1547	0.516	3	118.9023	0.372	6	118.9023	0.372	6	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:4:4:	3:2:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6,6a]-3:O[6a]-2:O-1:	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6a]O[6a]O)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2	C[6a](C[6,6a]C[6,6a]C[6])(O[6a]C[6a,6a])(O)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6a]O[6a]O)(C[6]C[6]CC){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2{1|C<4>,1|O<1>,2|C<3>,2|O<2>}	C[6a](C[6,6a]C[6,6a]C[6])(O[6a]C[6a,6a])(O){1|O<2>,2|C<3>,3|C<4>}	118.8320	0.000	1	119.1547	0.516	3	118.9023	0.372	6	118.9023	0.372	6	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:4:4:	3:2:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-4:C-4:C-4:	C[6,6a]-3:N[6a]-2:C-4:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]N[6a]C)(C[6]N[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]HH)(CH3)2	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])(CH3)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]N[6a]C)(C[6]N[6]CC){3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]HH)(CH3)2{1|C<4>,1|N<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])(CH3){1|H<1>,1|N<4>,2|C<3>,2|C<4>}	122.9440	0.000	1	122.9440	0.000	1	122.9440	0.000	1	122.9440	0.000	1	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:4:4:	3:3:1:	C[5,6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6,6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]HH)(CH3)2	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6,6a]C[6,6a]C[6])(H)	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6,6a]H)(C[6]C[6]CC){1|C<3>,2|H<1>,5|C<4>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]HH)(CH3)2{1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6,6a]C[6,6a]C[6])(H){1|C<3>,8|C<4>}	120.8810	0.000	1	120.8810	0.000	1	120.8810	0.000	1	120.1567	4.436	115	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:4:4:	3:3:1:	C[5,6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]HH)(CH3)2	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(C[6]C[6]CC){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]HH)(CH3)2{1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6a]C[6a]H)(H){2|C<3>,4|C<4>}	125.0050	0.000	1	125.0050	0.000	1	125.0050	0.000	1	120.1567	4.436	115	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:4:4:	3:3:1:	C[6,6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HH)(CCCH)(CH3)	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(C[6]C[6]CC){1|C<3>,1|N<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HH)(CCCH)(CH3){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,4|C<4>}	118.2330	0.000	1	118.2330	0.000	1	120.9532	5.544	4	120.1567	4.436	115	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:4:4:	3:3:1:	C[6,6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HH)(CH3)2	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]C)(H)	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(C[6]C[6]CC){2|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HH)(CH3)2{1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]C)(H){1|C<3>,1|N<3>,1|O<2>,3|C<4>}	121.8600	1.839	3	121.8600	3.383	3	120.9532	5.544	4	120.1567	4.436	115	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:4:4:	3:3:1:	C[6,6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6a,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6a]C[6a,6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HH)(CH3)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6,6a]C[6])(H)	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6a]C[6a,6a]H)(C[6]C[6]CC){2|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HH)(CH3)2{1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6,6a]C[6])(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>,3|C<4>}	121.5205	0.159	2	121.5205	0.025	2	121.5205	0.025	2	120.1567	4.436	115	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:4:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:B[6]-4:C-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(C[6]B[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(B[6]C[5,6]HN)(CH3)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(C[6]B[6]CC){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(B[6]C[5,6]HN)(CH3)2{1|H<1>,2|C<3>,2|N<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|H<1>,1|N<3>,2|C<4>}	124.0670	0.000	1	124.0670	0.000	1	124.0670	0.000	1	120.1567	4.436	115	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:4:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[5,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2	C[6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6,6a]C[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[6]CC){1|C<3>,3|H<1>,4|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2{1|C<4>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6,6a]C[6])(H){2|H<1>,3|C<3>,4|C<4>}	118.8570	0.202	4	118.8570	0.041	4	119.2750	0.447	6	120.1567	4.436	115	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:4:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[5,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[5,6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(CH3)2	C[6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6,6a]C[6])(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[5,6a]H)(C[6]C[6]CC){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(CH3)2{1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6,6a]C[6])(H){1|O<1>,2|C<3>,2|O<2>,3|C<4>}	120.1110	0.133	2	120.1110	0.018	2	119.2750	0.447	6	120.1567	4.436	115	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:4:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6,6a]-3:C[5,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2	C[6a](C[6,6a]C[6,6a]C[6])(C[5,6a]C[5,6a]2)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[6]CC){2|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2{1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[5,6a]C[5,6a]2)(H){3|C<3>,5|C<4>}	117.3045	0.252	4	117.3045	0.064	4	117.3045	0.064	4	120.1567	4.436	115	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:4:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6a]C[6])(C[6a]C[6,6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6,6a]C[6,6a]C[6])(H)	C[6,6a](C[6,6a]C[5,6a]C[6])(C[6a]C[6,6a]H)(C[6]C[6]CC){1|C<3>,2|H<1>,5|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2{1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6,6a]C[6,6a]C[6])(H){1|C<3>,8|C<4>}	115.7390	0.000	1	115.7390	0.000	1	117.5468	5.687	5	120.1567	4.436	115	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:4:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2	C[6a](C[6,6a]C[6,6a]C[6])2(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]H)(C[6]C[6]CC){2|C<3>,2|H<1>,4|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2{1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])2(H){1|C<3>,8|C<4>}	115.8460	0.170	2	115.8460	0.029	2	117.5468	5.687	5	120.1567	4.436	115	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:4:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6,6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH)2	C[6a](C[6,6a]C[6,6a]C[6])2(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6,6a]H)(C[6]C[6]CC){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH)2{1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])2(H){1|C<3>,2|N<3>,6|C<4>}	120.1515	0.313	2	120.1515	0.098	2	117.5468	5.687	5	120.1567	4.436	115	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:4:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6,6a]-3:C[6a]-3:Br-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Br)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CH3)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(Br)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Br)(C[6]C[6]CC){1|C<3>,2|H<1>,5|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CH3)2{1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(Br){2|C<3>,4|C<4>}	122.8755	0.138	4	122.8755	0.019	4	122.8755	0.019	4	120.1567	4.436	115	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:4:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[4,6]CC)(CH3)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CC){2|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[4,6]CC)(CH3)2{1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,5|C<4>}	121.4400	0.000	1	121.4400	0.000	1	120.2280	3.726	85	120.1567	4.436	115	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:4:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]CC)(CH3)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CC){2|Br<1>,1|H<1>,2|C<3>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]CC)(CH3)2{1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H){1|C<3>,5|C<4>}	119.9355	1.008	2	119.9355	1.015	2	120.2280	3.726	85	120.1567	4.436	115	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:4:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]CC)(CH3)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CC){2|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]CC)(CH3)2{1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,5|C<4>}	120.7885	0.047	2	120.7885	0.002	2	120.2280	3.726	85	120.1567	4.436	115	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:4:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2{1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H){2|C<3>,4|C<4>}	117.9550	0.000	1	117.7995	0.048	2	120.2280	3.726	85	120.1567	4.436	115	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:4:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|C<4>,2|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2{1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H){2|C<3>,4|C<4>}	117.6440	0.000	1	117.7995	0.048	2	120.2280	3.726	85	120.1567	4.436	115	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:4:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]O)(H)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2{1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]O)(H){1|C<3>,5|C<4>}	118.2360	0.000	1	118.2360	0.000	1	120.2280	3.726	85	120.1567	4.436	115	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:4:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(CH3)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]O)(H)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(CH3)2{1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]O)(H){1|C<3>,5|C<4>}	117.6620	0.000	1	117.6620	0.000	1	120.2280	3.726	85	120.1567	4.436	115	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:4:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(CH3)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]CC){3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(CH3)2{1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,3|C<4>}	121.9860	0.000	1	121.9860	0.000	1	120.2280	3.726	85	120.1567	4.436	115	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:4:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]H)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|C<4>,2|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2{1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]H)(H){2|C<3>,4|C<4>}	117.5805	0.115	2	117.5805	0.013	2	120.2280	3.726	85	120.1567	4.436	115	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:4:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CH3)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]H)(H)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CC){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CH3)2{1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]H)(H){1|O<2>,2|C<3>,3|C<4>}	124.2140	0.000	1	124.2140	0.000	1	120.2280	3.726	85	120.1567	4.436	115	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:4:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CHHI)(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]Cl)(H)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|Cl<1>,1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CHHI)(CH3){1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]Cl)(H){1|O<2>,2|C<3>,3|C<4>}	119.7810	0.191	2	119.7810	0.036	2	120.2280	3.726	85	120.1567	4.436	115	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:4:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(CH3)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(CH3)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,3|C<4>}	120.7520	0.000	1	120.7520	0.000	1	120.2280	3.726	85	120.1567	4.436	115	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:4:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]FeH)(CH3)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|Fe<9>,1|C<3>,1|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]FeH)(CH3)2{1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,4|C<4>}	120.4030	0.000	1	120.4030	0.000	1	120.2280	3.726	85	120.1567	4.436	115	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:4:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH)(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH)(CH3){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,4|C<4>}	119.6475	1.187	2	119.6475	1.410	2	120.2280	3.726	85	120.1567	4.436	115	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:4:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|Br<1>,1|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2{1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H){1|C<3>,1|H<1>,4|C<4>}	118.2810	0.000	1	118.2810	0.000	1	120.2280	3.726	85	120.1567	4.436	115	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:4:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|Br<1>,2|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2{2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|C<3>,5|C<4>}	117.4718	0.582	4	118.1005	0.533	10	120.2280	3.726	85	120.1567	4.436	115	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:4:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|C<2>,1|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2{1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,4|C<4>}	118.1337	0.177	3	118.1005	0.533	10	120.2280	3.726	85	120.1567	4.436	115	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:4:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|C<3>,3|H<1>,4|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2{1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,4|C<4>}	119.1170	0.000	1	118.1005	0.533	10	120.2280	3.726	85	120.1567	4.436	115	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:4:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|C<3>,3|H<1>,4|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2{1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){2|C<3>,4|C<4>}	119.0430	0.000	1	118.1005	0.533	10	120.2280	3.726	85	120.1567	4.436	115	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:4:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC){2|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2{1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|C<3>,5|C<4>}	118.5570	0.000	1	118.1005	0.533	10	120.2280	3.726	85	120.1567	4.436	115	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:4:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|C<3>,1|C<4>,6|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2{1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){2|C<3>,4|C<4>}	119.5550	0.000	1	118.9849	0.414	14	120.2280	3.726	85	120.1567	4.436	115	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:4:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|C<3>,3|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2{1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,4|C<4>}	118.2230	0.000	1	118.9849	0.414	14	120.2280	3.726	85	120.1567	4.436	115	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:4:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|C<3>,3|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2{1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,4|C<4>}	119.2190	0.124	3	118.9849	0.414	14	120.2280	3.726	85	120.1567	4.436	115	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:4:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|C<3>,3|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2{1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|I<1>,4|C<4>}	118.9990	0.000	1	118.9849	0.414	14	120.2280	3.726	85	120.1567	4.436	115	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:4:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|C<3>,3|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2{1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,5|C<4>}	117.9510	0.000	1	118.9849	0.414	14	120.2280	3.726	85	120.1567	4.436	115	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:4:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2{1|Br<1>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){3|C<3>,3|C<4>}	118.0070	0.000	1	118.9849	0.414	14	120.2280	3.726	85	120.1567	4.436	115	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:4:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|C<4>,2|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2{1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,4|C<4>}	119.0800	0.000	1	118.9849	0.414	14	120.2280	3.726	85	120.1567	4.436	115	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:4:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|C<4>,2|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2{1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,4|C<4>}	119.4050	0.000	1	118.9849	0.414	14	120.2280	3.726	85	120.1567	4.436	115	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:4:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|C<4>,2|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2{1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){2|C<3>,4|C<4>}	118.7880	0.000	1	118.9849	0.414	14	120.2280	3.726	85	120.1567	4.436	115	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:4:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|O<1>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2{1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,3|C<4>}	120.3860	0.000	1	118.9849	0.414	14	120.2280	3.726	85	120.1567	4.436	115	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:4:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2{1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,4|C<4>}	118.8685	0.190	2	118.9849	0.414	14	120.2280	3.726	85	120.1567	4.436	115	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:4:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]I)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|C<3>,1|I<1>,3|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2{1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]I)(H){1|C<3>,1|H<1>,4|C<4>}	117.8410	0.000	1	117.8410	0.000	1	120.2280	3.726	85	120.1567	4.436	115	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:4:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CHHN)(CHHO)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|C<3>,1|C<4>,6|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CHHN)(CHHO){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,4|C<4>}	119.6020	0.000	1	119.6020	0.000	1	120.2280	3.726	85	120.1567	4.436	115	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:4:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(CCHN)(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|O<2>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(CCHN)(CH3){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,3|C<4>}	122.6660	0.281	2	122.6660	0.079	2	120.2280	3.726	85	120.1567	4.436	115	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:4:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]RuH)(CH3)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|Ru<9>,1|C<3>,1|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]RuH)(CH3)2{1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,4|C<4>}	120.3520	0.222	2	120.3520	0.049	2	120.2280	3.726	85	120.1567	4.436	115	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:4:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(CCHH)(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|Si<4>,1|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(CCHH)(CH3){2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,3|C<4>}	122.7080	0.754	2	122.7080	0.568	2	120.2280	3.726	85	120.1567	4.436	115	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:4:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]H)(CHHI)(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|O<2>,2|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]H)(CHHI)(CH3){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,4|C<4>}	121.3870	0.000	1	121.3870	0.000	1	120.2280	3.726	85	120.1567	4.436	115	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:4:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CCHH)(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|C<3>,1|N<3>,1|O<1>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CCHH)(CH3){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,3|C<4>}	122.2560	0.304	2	122.2560	0.092	2	120.2280	3.726	85	120.1567	4.436	115	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:4:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CCHH)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|C<3>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CCHH)2{1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|H<1>,2|C<3>,3|C<4>}	122.7500	0.000	1	122.7500	0.000	1	120.2280	3.726	85	120.1567	4.436	115	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:4:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]B[5])(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|B<3>,1|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2{1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]B[5])(H){1|C<3>,1|H<1>,1|N<3>,2|O<2>,3|C<4>}	122.1720	0.470	2	122.1720	0.220	2	120.2280	3.726	85	120.1567	4.436	115	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:4:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]I)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|C<3>,1|I<1>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2{1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]I)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	121.2945	1.555	2	122.0592	1.412	5	120.2280	3.726	85	120.1567	4.436	115	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:4:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]I)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|C<4>,1|I<1>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2{1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]I)(H){1|C<3>,1|H<1>,1|N<2>,3|C<4>}	121.8270	0.000	1	122.0592	1.412	5	120.2280	3.726	85	120.1567	4.436	115	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:4:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]I)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|C<4>,1|I<1>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2{1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]I)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	122.4630	0.000	1	122.0592	1.412	5	120.2280	3.726	85	120.1567	4.436	115	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:4:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]I)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|I<1>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2{1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]I)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	123.4170	0.000	1	122.0592	1.412	5	120.2280	3.726	85	120.1567	4.436	115	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:4:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(CH3)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|C<3>,1|P<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(CH3)2{1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	120.0555	0.250	6	119.9648	0.213	10	120.2280	3.726	85	120.1567	4.436	115	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:4:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(CH3)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|C<3>,1|P<4>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(CH3)2{1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	119.3655	0.330	2	119.9648	0.213	10	120.2280	3.726	85	120.1567	4.436	115	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:4:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(CH3)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CC){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(CH3)2{1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	120.2920	0.714	2	119.9648	0.213	10	120.2280	3.726	85	120.1567	4.436	115	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:4:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(CH3)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|C<3>,1|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(CH3)2{1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,4|C<4>}	121.7920	0.000	1	121.7920	0.000	1	120.2280	3.726	85	120.1567	4.436	115	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:4:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[6a]2O)(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CC){2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[6a]2O)(CH3){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	123.9000	0.000	1	123.9000	0.000	1	120.2280	3.726	85	120.1567	4.436	115	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:4:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|Cl<1>,1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	120.7760	0.000	1	121.2996	1.881	8	120.2280	3.726	85	120.1567	4.436	115	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:4:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|Cl<1>,1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2{1|H<1>,1|O<2>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	121.0875	0.480	2	121.2996	1.881	8	120.2280	3.726	85	120.1567	4.436	115	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:4:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	121.6082	2.009	4	121.2996	1.881	8	120.2280	3.726	85	120.1567	4.436	115	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:4:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2{1|H<1>,1|O<2>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	121.0130	0.000	1	121.2996	1.881	8	120.2280	3.726	85	120.1567	4.436	115	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:4:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]N)(CH3)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]N)(CH3)2{1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	125.3145	0.862	2	125.3145	0.743	2	120.2280	3.726	85	120.1567	4.436	115	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:4:4:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6a,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6]CC){2|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2{1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(H){1|H<1>,3|C<3>,4|C<4>}	118.8625	0.810	2	118.8625	0.656	2	118.8625	0.656	2	120.1567	4.436	115	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:4:4:	3:3:2:	C[6,6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6a]C[6a]O)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HH)(CH3)2	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]C)(OC)	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6a]C[6a]O)(C[6]C[6]CC){2|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HH)(CH3)2{1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]C)(OC){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	122.9257	1.273	3	122.9257	1.621	3	122.9257	1.621	3	122.9257	1.621	3	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:4:4:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6,6a]-3:C[6,6a]-3:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]C)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2	C[6a](C[6,6a]C[6,6a]C[6])2(CC[6a]N)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]C)(C[6]C[6]CC){1|C<3>,3|H<1>,4|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2{1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])2(CC[6a]N){1|C<3>,8|C<4>}	123.7890	0.151	2	123.7890	0.023	2	123.7890	0.023	2	123.7890	0.023	2	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	3:4:4:4:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]C)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(CH3)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]C)(C[6]C[6]CC){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2{1|C<4>,1|O<1>,1|O<2>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(CH3){1|C<3>,1|O<2>,4|C<4>}	125.9408	0.236	4	125.9408	0.055	4	125.9408	0.055	4	125.9408	0.055	4	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	4:3:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6]-4:C[6,6a]-3:Br-1:H-1:	C[6a,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]N[6a])(C[6a]C[6a,6a]H)(C[6]C[6,6]BrH)	C[6](C[6,6]C[6,6a]S[6,6]H)(C[6,6a]C[6,6a]C[6a])(Br)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(H)	C[6,6a](C[6,6a]C[6,6]N[6a])(C[6a]C[6a,6a]H)(C[6]C[6,6]BrH){1|C<4>,1|S<2>,2|H<1>,3|C<3>}	C[6](C[6,6]C[6,6a]S[6,6]H)(C[6,6a]C[6,6a]C[6a])(Br)(H){1|C<4>,1|H<1>,2|C<3>,2|N<2>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(H){1|Br<1>,1|N<2>,2|C<3>,2|C<4>,2|H<1>}	120.0373	0.407	6	120.0373	0.165	6	120.0373	0.165	6	119.6596	2.227	18	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	4:3:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6]-4:C[6,6a]-3:H-1:H-1:	C[5,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5,6a]H)(C[6]C[6,6]HH)	C[6](C[6,6]O[6,6]C[6a]C[6])(C[6,6a]C[6,6a]C[6a])(H)2	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5,6a]H)(C[6]C[6,6]HH){1|C<4>,2|H<1>,2|O<2>,3|C<3>}	C[6](C[6,6]O[6,6]C[6a]C[6])(C[6,6a]C[6,6a]C[6a])(H)2{1|C<4>,2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	120.1920	0.000	1	120.1920	0.000	1	120.1920	0.000	1	119.6596	2.227	18	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	4:3:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6]-4:C[6,6a]-3:H-1:H-1:	C[6a,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]N[6a])(C[6a]C[6a,6a]H)(C[6]C[6,6]HH)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(H)	C[6,6a](C[6,6a]C[6,6]N[6a])(C[6a]C[6a,6a]H)(C[6]C[6,6]HH){2|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(H)2{1|C<4>,2|C<3>,2|N<2>,3|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(H){1|N<2>,2|C<4>,2|H<1>,3|C<3>}	120.7807	0.377	4	120.7807	0.142	4	120.3506	0.507	7	119.6596	2.227	18	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	4:3:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6]-4:C[6,6a]-3:H-1:H-1:	C[6a,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]N[6a])(C[6a]C[6a,6a]H)(C[6]C[6,6]HH)	C[6](C[6,6]C[6,6a]S[6,6]H)(C[6,6a]C[6,6a]C[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(H)	C[6,6a](C[6,6a]C[6,6]N[6a])(C[6a]C[6a,6a]H)(C[6]C[6,6]HH){1|C<4>,1|S<2>,2|H<1>,3|C<3>}	C[6](C[6,6]C[6,6a]S[6,6]H)(C[6,6a]C[6,6a]C[6a])(H)2{1|C<4>,1|H<1>,2|C<3>,2|N<2>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(H){1|N<2>,2|C<3>,2|C<4>,3|H<1>}	119.9800	0.800	2	119.9800	0.641	2	120.3506	0.507	7	119.6596	2.227	18	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	4:3:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6]-4:C[6,6a]-3:H-1:H-1:	C[6a,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]H)(C[6]C[6,6]HH)	C[6](C[6,6]C[6,6,6a]O[6]H)(C[6,6a]C[6,6a]C[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]H)(C[6]C[6,6]HH){1|H<1>,2|O<2>,4|C<3>}	C[6](C[6,6]C[6,6,6a]O[6]H)(C[6,6a]C[6,6a]C[6a])(H)2{1|C<4>,1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(H){1|Cl<1>,1|C<4>,2|H<1>,4|C<3>}	119.3710	0.000	1	119.3710	0.000	1	120.3506	0.507	7	119.6596	2.227	18	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	4:3:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5x3,5x5,21x6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6]C[5x3,5x5,21x6]HH)(C[6,6a]C[6,6a]C[6a])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5x3,5x5,21x6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<6>,4|B<6>,4|H<1>}	C[6](C[6]C[5x3,5x5,21x6]HH)(C[6,6a]C[6,6a]C[6a])(H)2{1|C<6>,1|H<1>,2|C<3>,4|B<6>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|C<6>,3|H<1>}	121.0310	0.000	1	121.0310	0.000	1	121.0310	0.000	1	119.6596	2.227	18	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	4:3:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	N[5,6]-4:C[6,6a]-3:H-1:H-1:	C[5,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6a]C[5,6a]H)(C[6]N[5,6]HH)	C[6](N[5,6]C[5,6,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(H)2	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H)	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6a]C[5,6a]H)(C[6]N[5,6]HH){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[6](N[5,6]C[5,6,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(H)2{2|C<3>,3|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H){1|C<3>,1|N<4>,1|O<2>,2|C<4>,2|H<1>}	117.0800	0.000	1	116.6570	0.288	3	116.6570	0.288	3	119.6596	2.227	18	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	4:3:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	N[5,6]-4:C[6,6a]-3:H-1:H-1:	C[5,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6a]C[5,6a]H)(C[6]N[5,6]HH)	C[6](N[5,6]C[5,6,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(H)2	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H)	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6a]C[5,6a]H)(C[6]N[5,6]HH){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[6](N[5,6]C[5,6,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(H)2{2|C<3>,3|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H){1|C<3>,1|N<4>,1|O<2>,2|C<4>,2|H<1>}	116.4455	0.555	2	116.6570	0.288	3	116.6570	0.288	3	119.6596	2.227	18	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	4:3:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6]-4:C[6,6a]-3:Br-1:H-1:	C[6a,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]N[6a])(C[6a]C[6a,6a]C[6a])(C[6]C[6,6]BrH)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(Br)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6,6]N[6a])(C[6a]C[6a,6a]C[6a])(C[6]C[6,6]BrH){2|C<4>,2|H<1>,5|C<3>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(Br)(H){1|C<4>,2|H<1>,2|N<2>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2){1|Br<1>,1|N<2>,2|C<4>,4|C<3>,4|H<1>}	121.6983	0.485	6	121.6983	0.235	6	120.8648	0.922	13	120.8737	0.810	15	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	4:3:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6]-4:C[6,6a]-3:Br-1:H-1:	C[6a,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]N[6a])(C[6a]C[6a,6a]C[6a])(C[6]C[6,6]BrH)	C[6](C[6,6]C[6,6a]S[6,6]H)(C[6,6a]C[6,6a]C[6a])(Br)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6,6]N[6a])(C[6a]C[6a,6a]C[6a])(C[6]C[6,6]BrH){1|C<4>,1|S<2>,2|H<1>,5|C<3>}	C[6](C[6,6]C[6,6a]S[6,6]H)(C[6,6a]C[6,6a]C[6a])(Br)(H){1|C<4>,2|N<2>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2){1|Br<1>,1|N<2>,2|C<4>,4|C<3>,4|H<1>}	120.1504	0.598	7	120.1504	0.357	7	120.8648	0.922	13	120.8737	0.810	15	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	4:3:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6]-4:C[6,6a]-3:H-1:H-1:	C[6a,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]N[6a])(C[6a]C[6a,6a]C[6a])(C[6]C[6,6]HH)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6,6]N[6a])(C[6a]C[6a,6a]C[6a])(C[6]C[6,6]HH){2|C<4>,2|H<1>,5|C<3>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(H)2{1|C<4>,2|H<1>,2|N<2>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2){1|N<2>,2|C<4>,4|C<3>,5|H<1>}	120.9310	0.525	2	120.9310	0.275	2	120.9310	0.275	2	120.8737	0.810	15	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[5,6]-4:C[6,6a]-3:S-4:H-1:	C[6a,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[5,6]HS)	C[6](C[5,6]N[5,6]C[6a]C[5])(C[6,6a]C[6,6a]C[6a])(SC[6a]OO)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[5,6]HS){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6](C[5,6]N[5,6]C[6a]C[5])(C[6,6a]C[6,6a]C[6a])(SC[6a]OO)(H){1|C<4>,1|O<2>,3|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(H){1|S<4>,2|C<4>,2|H<1>,3|C<3>}	120.3490	0.000	1	120.3490	0.000	1	120.3490	0.000	1	120.3490	0.000	1	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:2:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:Se[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]S[6])(C[6]Se[6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(Se[6]C[6])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6]Se[6]HH)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(Se[6]C[6])(H)2{1|H<1>,1|S<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|Se<2>,1|C<3>,1|S<2>,3|H<1>}	122.1930	0.000	1	122.1930	0.000	1	122.1930	0.000	1	122.1930	0.000	1	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:2:3:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:O[6]-2:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6a]O[6]H)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[4,6,6])(C[6a]C[6a]2)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6a]O[6]H)(C[6a]C[6a]O){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[4,6,6])(C[6a]C[6a]2)(H){1|O<2>,2|C<4>,2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|H<1>,2|O<2>,3|C<3>}	119.3205	0.134	2	119.3205	0.018	2	119.3205	0.018	2	119.3205	0.018	2	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:1:1:	3:2:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:O[6a]-2:O-1:	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6,6a]HH)(C[6a]O[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])2(H)2	C[6a](C[6,6a]C[6,6a]C[6])(O[6a]C[6a,6a])(O)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6,6a]HH)(C[6a]O[6a]O){4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(H)2{2|C<3>,2|O<1>,3|O<2>}	C[6a](C[6,6a]C[6,6a]C[6])(O[6a]C[6a,6a])(O){1|O<2>,2|H<1>,3|C<3>}	116.3060	0.820	2	116.3060	0.673	2	116.3060	0.673	2	116.3060	0.673	2	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:1:1:	3:2:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:N[6a]-2:N-3:	C[6,6a](C[6,6a]N[6a]O[6])(C[6]C[6,6a]HH)(C[6a]N[6a]N)	C[6](C[6,6a]C[6,6a]C[6a])2(H)2	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])(NC[6a]H)	C[6,6a](C[6,6a]N[6a]O[6])(C[6]C[6,6a]HH)(C[6a]N[6a]N){3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(H)2{1|H<1>,1|N<3>,1|O<2>,2|C<3>,2|N<2>}	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])(NC[6a]H){1|C<3>,1|N<2>,1|O<2>,3|H<1>}	123.6880	0.000	1	123.6880	0.000	1	123.6880	0.000	1	123.6880	0.000	1	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:1:1:	3:3:1:	C[6,6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6,6a]C[6,6a]B[3x6])(C[6]C[6,6a]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6,6a]C[6a])2(H)2	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6,6a]C[6,6a]B[3x6])(C[6]C[6,6a]HH)(C[6a]C[6a]H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6,6a]C[6a])2(H)2{1|B<3>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]H)(H){1|B<3>,2|C<3>,3|H<1>}	119.7229	1.595	15	119.7229	2.544	15	119.7229	2.544	15	120.1431	1.867	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[5,6,6]-3:C[6,6a]-3:H-1:H-1:	C[6a,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6,6]HH)(C[6a]C[6a,6a]H)	C[6](C[5,6,6]C[5,5,6]C[5,6,6])(C[6,6a]C[6,6a]C[6a])(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6,6]HH)(C[6a]C[6a,6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6](C[5,6,6]C[5,5,6]C[5,6,6])(C[6,6a]C[6,6a]C[6a])(H)2{1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(H){1|C<4>,3|H<1>,4|C<3>}	118.6955	0.301	2	118.6955	0.090	2	118.6955	0.090	2	120.1431	1.867	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[5a,6]-3:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]HH)(C[6a]C[6a]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]HH)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(H)2{1|H<1>,1|O<2>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){3|C<3>,3|H<1>}	118.4820	0.000	1	118.4820	0.000	1	118.7462	1.125	5	120.1431	1.867	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[5a,6]-3:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]HH)(C[6a]C[6a]H)	C[6](C[5a,6]C[5a,6]S[5a])(C[6,6a]C[6,6a]C[6a])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]HH)(C[6a]C[6a]H){1|C<2>,1|C<4>,1|S<2>,2|C<3>,2|H<1>}	C[6](C[5a,6]C[5a,6]S[5a])(C[6,6a]C[6,6a]C[6a])(H)2{1|C<4>,1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	117.9275	1.006	2	117.9275	1.012	2	118.7462	1.125	5	120.1431	1.867	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[5a,6]-3:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5a,6]HH)(C[6a]C[6a]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5a,6]HH)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(H)2{1|N<2>,2|C<3>,2|H<1>,2|N<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,3|H<1>}	119.3300	0.000	1	119.3300	0.000	1	118.7462	1.125	5	120.1431	1.867	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[5a,6]-3:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5a,6]HH)(C[6a]C[6a]H)	C[6](C[5a,6]N[5a,6a]C[5a,6])(C[6,6a]C[6,6a]C[6a])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5a,6]HH)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[5a,6]N[5a,6a]C[5a,6])(C[6,6a]C[6,6a]C[6a])(H)2{1|H<1>,1|N<2>,1|O<2>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,3|H<1>}	120.0640	0.000	1	120.0640	0.000	1	118.7462	1.125	5	120.1431	1.867	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[3x6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[3x6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[3x6]2)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]F)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[3x6]HH)(C[6a]C[6a]H){1|C<4>,1|F<1>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[3x6]2)(H)2{2|C<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]F)(H){1|C<4>,1|F<1>,2|C<3>,2|H<1>}	118.4545	0.247	8	118.4545	0.061	8	118.4545	0.061	8	120.1431	1.867	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6,6]C[5])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|C<4>,1|H<1>,2|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6,6]C[5])(H)2{1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	117.7910	0.000	1	117.7910	0.000	1	119.3290	3.964	3	120.1431	1.867	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(H)2{1|C<4>,1|P<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	118.6180	0.000	1	118.6180	0.000	1	119.3290	3.964	3	120.1431	1.867	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]HH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,3|H<1>}	121.5780	0.000	1	121.5780	0.000	1	119.3290	3.964	3	120.1431	1.867	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6]HH)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H)2{2|H<1>,2|N<3>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,3|H<1>}	118.9220	0.000	1	118.9220	0.000	1	119.7784	0.473	7	120.1431	1.867	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6])(H)2{1|Ru<6>,1|H<1>,1|N<3>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,3|H<1>}	120.2457	0.250	3	120.2457	0.063	3	119.7784	0.473	7	120.1431	1.867	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|Br<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H){1|O<2>,2|C<3>,3|H<1>}	120.0540	0.000	1	120.0540	0.000	1	119.7784	0.473	7	120.1431	1.867	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6,6]C[6])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6,6]C[6])(H)2{1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,3|H<1>}	120.0440	0.000	1	119.3680	0.914	2	119.7784	0.473	7	120.1431	1.867	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6,6]C[6])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6,6]C[6])(H)2{1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,3|H<1>}	118.6920	0.000	1	119.3680	0.914	2	119.7784	0.473	7	120.1431	1.867	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[5,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]HH)(C[6a]C[5,6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[5,6a]C[5,6a]2)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]HH)(C[6a]C[5,6a]H){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(H)2{1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[5,6a]C[5,6a]2)(H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	120.9110	0.000	1	120.9110	0.000	1	120.9110	0.000	1	120.1431	1.867	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:F-1:	C[6,6a](C[6,6a]C[6a]B[6])(C[6]C[6,6a]HH)(C[6a]C[6a]F)	C[6](C[6,6a]C[6,6a]C[6a])2(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]F)(F)	C[6,6a](C[6,6a]C[6a]B[6])(C[6]C[6,6a]HH)(C[6a]C[6a]F){1|O<2>,2|F<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(H)2{1|B<3>,2|F<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]F)(F){1|B<3>,1|F<1>,2|C<3>,2|H<1>}	117.3210	0.004	2	116.9755	0.162	4	116.9755	0.162	4	120.1431	1.867	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:F-1:	C[6,6a](C[6,6a]C[6a]B[6])(C[6]C[6,6a]HH)(C[6a]C[6a]F)	C[6](C[6,6a]C[6,6a]C[6a])2(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]F)(F)	C[6,6a](C[6,6a]C[6a]B[6])(C[6]C[6,6a]HH)(C[6a]C[6a]F){2|F<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(H)2{1|B<3>,2|F<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]F)(F){1|B<3>,1|F<1>,2|C<3>,2|H<1>}	116.6300	0.098	2	116.9755	0.162	4	116.9755	0.162	4	120.1431	1.867	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[6,6a]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[5,6,6a]C[6a,6a])(C[6,6a]C[6,6a]C[6a])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[6,6a]HH)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6](C[6,6a]C[5,6,6a]C[6a,6a])(C[6,6a]C[6,6a]C[6a])(H)2{1|C<4>,1|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.0270	0.000	1	120.0270	0.000	1	121.2030	2.376	46	120.1431	1.867	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6,6a]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]H)(H)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6,6a]HH)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(H)2{1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]H)(H){1|O<2>,2|H<1>,3|C<3>}	119.9540	0.000	1	119.9540	0.000	1	121.2030	2.376	46	120.1431	1.867	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HH)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(H)2{1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.2820	0.543	4	120.7901	3.487	25	121.2030	2.376	46	120.1431	1.867	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HH)(C[6a]C[6a]H){1|C<5>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])2(H)2{1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	118.5955	0.963	4	120.7901	3.487	25	121.2030	2.376	46	120.1431	1.867	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HH)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(H)2{1|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){3|C<3>,3|H<1>}	119.3480	0.000	1	120.7901	3.487	25	121.2030	2.376	46	120.1431	1.867	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HH)(C[6a]C[6a]H){1|O<2>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])2(H)2{1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	119.9200	0.061	2	120.7901	3.487	25	121.2030	2.376	46	120.1431	1.867	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HH)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(H)2{1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.0275	0.244	2	120.7901	3.487	25	121.2030	2.376	46	120.1431	1.867	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HH)(C[6a]C[6a]H){3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])2(H)2{1|Br<1>,1|C<4>,1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	122.4690	0.000	1	120.7901	3.487	25	121.2030	2.376	46	120.1431	1.867	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HH)(C[6a]C[6a]H){3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])2(H)2{1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	118.6570	1.102	2	120.7901	3.487	25	121.2030	2.376	46	120.1431	1.867	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HH)(C[6a]C[6a]H){3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])2(H)2{1|Pd<4>,1|C<4>,1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	122.3740	0.000	1	120.7901	3.487	25	121.2030	2.376	46	120.1431	1.867	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HH)(C[6a]C[6a]H){3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])2(H)2{1|Si<4>,1|C<4>,1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	123.7610	0.553	2	120.7901	3.487	25	121.2030	2.376	46	120.1431	1.867	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HH)(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(H)2{1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	122.5533	0.727	6	120.7901	3.487	25	121.2030	2.376	46	120.1431	1.867	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]HH)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(H)2{1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)(H){1|N<2>,1|N<3>,3|C<3>,3|H<1>}	121.4220	0.000	1	121.4220	0.000	1	121.2030	2.376	46	120.1431	1.867	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]HH)(C[6a]C[6a]H){1|B<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])2(H)2{1|N<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<4>,2|C<3>,3|H<1>}	122.6483	0.392	4	122.0314	0.349	13	121.2030	2.376	46	120.1431	1.867	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]HH)(C[6a]C[6a]H){1|Mn<6>,1|H<1>,1|P<4>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(H)2{1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,3|H<1>}	121.8130	0.093	2	122.0314	0.349	13	121.2030	2.376	46	120.1431	1.867	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]HH)(C[6a]C[6a]H){1|Ru<5>,1|C<4>,1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(H)2{1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,3|H<1>}	122.2165	0.012	2	122.0314	0.349	13	121.2030	2.376	46	120.1431	1.867	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]HH)(C[6a]C[6a]H){1|Ru<6>,1|C<4>,1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(H)2{1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,3|H<1>}	121.0430	0.098	2	122.0314	0.349	13	121.2030	2.376	46	120.1431	1.867	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]HH)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])2(H)2{1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,3|H<1>}	121.8900	0.050	3	122.0314	0.349	13	121.2030	2.376	46	120.1431	1.867	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]HH)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(H)2{1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|O<2>,2|C<3>,3|H<1>}	121.1140	0.000	1	121.7075	0.704	2	121.2030	2.376	46	120.1431	1.867	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]HH)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(H)2{1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|O<2>,2|C<3>,3|H<1>}	122.3010	0.000	1	121.7075	0.704	2	121.2030	2.376	46	120.1431	1.867	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]HH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(H)2{1|H<1>,1|N<3>,1|O<2>,2|C<3>,2|N<2>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,3|H<1>}	121.9180	0.000	1	121.9525	0.002	2	121.2030	2.376	46	120.1431	1.867	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]HH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(H)2{1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,3|H<1>}	121.9870	0.000	1	121.9525	0.002	2	121.2030	2.376	46	120.1431	1.867	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]HH)(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(H)2{1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|O<2>,2|C<3>,3|H<1>}	120.4570	0.000	1	120.4570	0.000	1	121.2030	2.376	46	120.1431	1.867	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[4,6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[4,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[4,6]C[4,6]C[4])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[4,6]HH)(C[6a]C[6a]H){1|Cl<1>,1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[4,6]C[4,6]C[4])(H)2{1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H){1|C<3>,1|N<2>,1|N<3>,3|H<1>}	118.9700	0.000	1	118.9700	0.000	1	118.9700	0.000	1	120.1431	1.867	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:F-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[5,6]HH)(C[6a]C[6a]F)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(F)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[5,6]HH)(C[6a]C[6a]F){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2{1|F<1>,1|N<3>,1|O<1>,2|C<3>,3|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(F){1|C<3>,2|N<3>,3|H<1>}	120.9990	0.000	1	120.9990	0.000	1	120.9990	0.000	1	120.1431	1.867	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]N[5,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,5,6]C[5])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]N[5,6]HH)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,5,6]C[5])(H)2{1|H<1>,1|O<1>,2|C<4>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.4420	0.000	1	120.4420	0.000	1	119.6608	3.339	39	120.1431	1.867	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]N[5,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6,6]C[5])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]N[5,6]HH)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6,6]C[5])(H)2{1|H<1>,1|O<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,3|H<1>}	123.0810	0.000	1	119.3340	6.482	4	119.6608	3.339	39	120.1431	1.867	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]N[5,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6,6]C[5])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]N[5,6]HH)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6,6]C[5])(H)2{1|C<4>,1|H<1>,1|O<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	118.4230	0.199	2	119.3340	6.482	4	119.6608	3.339	39	120.1431	1.867	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]N[5,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6,6]C[5])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]N[5,6]HH)(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6,6]C[5])(H)2{1|H<1>,1|O<1>,3|C<3>,3|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	117.4090	0.000	1	119.3340	6.482	4	119.6608	3.339	39	120.1431	1.867	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]B[6])(C[6]N[5,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]B[6])(C[6]N[5,6]HH)(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2{1|B<4>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|N<3>,3|H<1>}	115.6760	0.000	1	115.6760	0.000	1	119.6608	3.339	39	120.1431	1.867	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,5]C[5,6])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5,6]HH)(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,5]C[5,6])(H)2{2|H<1>,3|C<4>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	118.6610	0.467	2	118.9947	0.443	3	119.6608	3.339	39	120.1431	1.867	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,5]C[5,6])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5,6]HH)(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,5]C[5,6])(H)2{3|C<3>,3|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	119.6620	0.000	1	118.9947	0.443	3	119.6608	3.339	39	120.1431	1.867	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5,6]HH)(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2{1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	118.3110	0.000	1	118.3110	0.000	1	119.6608	3.339	39	120.1431	1.867	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5,6]HH)(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2{2|H<1>,3|C<3>,4|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	124.7090	0.000	1	119.3899	4.015	11	119.6608	3.339	39	120.1431	1.867	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5,6]HH)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	119.2690	0.000	1	119.3899	4.015	11	119.6608	3.339	39	120.1431	1.867	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5,6]HH)(C[6a]C[6a]H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2{1|C<4>,1|H<1>,1|O<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	118.7950	0.000	1	119.3899	4.015	11	119.6608	3.339	39	120.1431	1.867	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5,6]HH)(C[6a]C[6a]H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<4>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	117.9048	0.714	4	119.3899	4.015	11	119.6608	3.339	39	120.1431	1.867	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5,6]HH)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2{1|H<1>,1|O<1>,2|C<4>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|N<3>,2|C<3>,2|H<1>}	120.0780	0.339	2	119.3899	4.015	11	119.6608	3.339	39	120.1431	1.867	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5,6]HH)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2{1|H<1>,1|O<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,3|H<1>}	119.5700	0.000	1	119.3899	4.015	11	119.6608	3.339	39	120.1431	1.867	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5,6]HH)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2{1|H<1>,1|O<1>,2|C<4>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,3|H<1>}	119.1710	0.000	1	119.3899	4.015	11	119.6608	3.339	39	120.1431	1.867	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5,6]HH)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2{1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|N<3>,2|C<3>,3|H<1>}	119.3800	0.000	1	119.3800	0.000	1	119.6608	3.339	39	120.1431	1.867	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]N[5,6]C[5])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5,6]HH)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]N[5,6]C[5])(H)2{1|P<4>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.5660	0.025	2	120.5660	0.001	2	119.6608	3.339	39	120.1431	1.867	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[5,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[5,6]HH)(C[6a]C[6a]H){2|Br<1>,1|C<3>,1|H<1>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2{1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H){1|C<3>,2|N<3>,3|H<1>}	120.5130	0.000	1	120.5130	0.000	1	119.6608	3.339	39	120.1431	1.867	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[5,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[5,6]HH)(C[6a]C[6a]H){1|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2{1|C<4>,2|C<3>,2|N<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|N<3>,3|H<1>}	119.9700	0.000	1	120.2192	0.438	6	119.6608	3.339	39	120.1431	1.867	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[5,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[5,6]HH)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2{1|H<1>,1|N<2>,2|C<4>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,3|H<1>}	119.1990	0.000	1	120.2192	0.438	6	119.6608	3.339	39	120.1431	1.867	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[5,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[5,6]HH)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2{1|N<2>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,3|H<1>}	120.5470	0.000	1	120.2192	0.438	6	119.6608	3.339	39	120.1431	1.867	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[5,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[5,6]HH)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2{1|N<2>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,3|H<1>}	121.1980	0.000	1	120.2192	0.438	6	119.6608	3.339	39	120.1431	1.867	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[5,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[5,6]HH)(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2{1|H<1>,1|N<3>,3|C<3>,3|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|N<3>,3|H<1>}	120.1010	0.000	1	120.2192	0.438	6	119.6608	3.339	39	120.1431	1.867	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[5,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[5,6]HH)(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2{1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|N<3>,3|H<1>}	120.3000	0.000	1	120.2192	0.438	6	119.6608	3.339	39	120.1431	1.867	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[5,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]S[5])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[5,6]HH)(C[6a]C[6a]H){1|S<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]S[5])(H)2{1|H<1>,1|N<2>,2|O<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,3|H<1>}	120.4380	0.000	1	120.4380	0.000	1	119.6608	3.339	39	120.1431	1.867	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[5,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]C[5,6])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[5,6]HH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]C[5,6])(H)2{1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,3|H<1>}	120.1710	0.000	1	120.1710	0.000	1	119.6608	3.339	39	120.1431	1.867	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]C[5,6])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,6]HH)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]C[5,6])(H)2{1|C<4>,1|H<1>,1|O<2>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,1|O<2>,3|H<1>}	120.9090	0.000	1	120.9090	0.000	1	119.6608	3.339	39	120.1431	1.867	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]C[5,6])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,6]HH)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]C[5,6])(H)2{1|H<1>,1|O<2>,2|C<4>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N)(H){1|C<3>,1|N<3>,1|O<2>,3|H<1>}	122.3825	0.322	2	122.3363	0.058	3	119.6608	3.339	39	120.1431	1.867	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]C[5,6])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,6]HH)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]C[5,6])(H)2{1|C<4>,1|H<1>,1|O<2>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N)(H){1|C<3>,1|N<3>,1|O<2>,3|H<1>}	122.2440	0.000	1	122.3363	0.058	3	119.6608	3.339	39	120.1431	1.867	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]S[6])(C[6]N[5,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6]N[5,6]HH)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2{1|C<4>,1|N<3>,1|O<1>,1|S<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,1|S<2>,3|H<1>}	116.9340	0.344	2	116.9340	0.118	2	119.6608	3.339	39	120.1431	1.867	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[5a,6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[5a,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6]C[5a])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[5a,6]HH)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6]C[5a])(H)2{1|H<1>,1|N<3>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|N<3>,3|H<1>}	119.5227	0.674	3	119.5227	0.455	3	119.6317	0.351	4	120.1431	1.867	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[5a,6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]S[6])(C[6]N[5a,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6]C[5a])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6]N[5a,6]HH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6]C[5a])(H)2{1|H<1>,1|S<2>,2|N<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,1|S<2>,3|H<1>}	119.9590	0.000	1	119.9590	0.000	1	119.6317	0.351	4	120.1431	1.867	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:Br-1:	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]N[6,6]HH)(C[6a]C[6a]Br)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(Br)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]N[6,6]HH)(C[6a]C[6a]Br){1|H<1>,2|C<3>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2{1|Br<1>,1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(Br){1|C<3>,2|N<3>,3|H<1>}	121.7310	0.000	1	121.7310	0.000	1	121.7310	0.000	1	120.1431	1.867	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:F-1:	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]N[6,6]HH)(C[6a]C[6a]F)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]F)(F)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]N[6,6]HH)(C[6a]C[6a]F){2|C<3>,2|C<4>,2|F<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2{1|F<1>,1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]F)(F){1|C<3>,1|F<1>,2|H<1>,2|N<3>}	120.3495	0.163	2	120.3495	0.027	2	120.3495	0.027	2	120.1431	1.867	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]2)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[6,6]HH)(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]2)(H)2{2|C<3>,3|H<1>,4|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.1630	0.000	1	120.1630	0.000	1	120.2437	0.593	138	120.1431	1.867	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[6,6]HH)(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(H)2{2|C<3>,3|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	119.2820	0.000	1	119.3866	1.119	5	120.2437	0.593	138	120.1431	1.867	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[6,6]HH)(C[6a]C[6a]H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(H)2{1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	118.6550	0.000	1	119.3866	1.119	5	120.2437	0.593	138	120.1431	1.867	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[6,6]HH)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(H)2{1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	118.3300	0.000	1	119.3866	1.119	5	120.2437	0.593	138	120.1431	1.867	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[6,6]HH)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(H)2{1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	121.0480	0.000	1	119.3866	1.119	5	120.2437	0.593	138	120.1431	1.867	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[6,6]HH)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(H)2{1|H<1>,1|O<1>,2|C<4>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,3|H<1>}	119.6180	0.000	1	119.3866	1.119	5	120.2437	0.593	138	120.1431	1.867	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[6,6]HH)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(H)2{2|C<4>,3|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	119.8610	0.371	3	119.8610	0.137	3	120.2437	0.593	138	120.1431	1.867	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[5,6]C[6,6])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[6,6]HH)(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[5,6]C[6,6])(H)2{1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|N<3>,3|H<1>}	122.8510	0.000	1	122.8510	0.000	1	120.2437	0.593	138	120.1431	1.867	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[6,6]HH)(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(H)2{1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|N<3>,3|H<1>}	120.9360	0.068	2	120.8277	0.038	3	120.2437	0.593	138	120.1431	1.867	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[6,6]HH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(H)2{1|H<1>,2|C<3>,2|C<4>,2|N<2>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,3|H<1>}	120.6110	0.000	1	120.8277	0.038	3	120.2437	0.593	138	120.1431	1.867	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]P[6,6]C[6])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[6,6]HH)(C[6a]C[6a]H){1|C<3>,1|P<5>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]P[6,6]C[6])(H)2{3|C<3>,3|H<1>,4|O<2>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|C<3>,1|N<3>,1|O<2>,3|H<1>}	123.5585	0.455	2	123.5585	0.207	2	120.2437	0.593	138	120.1431	1.867	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]S[6])(C[6]N[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6]N[6,6]HH)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(H)2{1|C<4>,1|S<2>,3|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,1|S<2>,3|H<1>}	119.1510	0.984	2	119.1510	0.969	2	120.2437	0.593	138	120.1431	1.867	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]S[6])(C[6]N[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N)(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6]N[6,6]HH)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(H)2{1|C<4>,1|S<2>,3|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N)(H){1|C<3>,1|N<3>,1|S<2>,3|H<1>}	118.9090	0.000	1	118.9090	0.000	1	120.2437	0.593	138	120.1431	1.867	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]N[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]N[6,6]HH)(C[6a]C[6a]H){1|H<1>,2|C<4>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2{1|N<3>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)(H){2|N<3>,3|C<3>,3|H<1>}	120.4532	0.189	4	120.4532	0.036	4	120.2437	0.593	138	120.1431	1.867	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]N[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]B)(H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]N[6,6]HH)(C[6a]C[6a]H){1|B<3>,1|H<1>,2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2{1|N<3>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]B)(H){1|C<3>,2|N<3>,3|H<1>}	120.9225	0.039	2	120.9225	0.002	2	120.2437	0.593	138	120.1431	1.867	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]N[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]N[6,6]HH)(C[6a]C[6a]H){1|Br<1>,1|H<1>,2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2{1|N<3>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H){1|C<3>,2|N<3>,3|H<1>}	119.6767	0.725	4	119.8291	0.377	7	120.2437	0.593	138	120.1431	1.867	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]N[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]N[6,6]HH)(C[6a]C[6a]H){1|Br<1>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2{1|N<4>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H){1|C<3>,1|N<3>,1|N<4>,3|H<1>}	120.3610	0.000	1	119.8291	0.377	7	120.2437	0.593	138	120.1431	1.867	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]N[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]N[6,6]HH)(C[6a]C[6a]H){2|Br<1>,2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2{1|N<3>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H){1|C<3>,2|N<3>,3|H<1>}	119.8680	0.553	2	119.8291	0.377	7	120.2437	0.593	138	120.1431	1.867	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]N[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]N[6,6]HH)(C[6a]C[6a]H){1|Br<1>,2|C<3>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2{1|N<3>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|C<3>,2|N<3>,3|H<1>}	119.7455	0.330	6	120.3411	0.316	53	120.2437	0.593	138	120.1431	1.867	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]N[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]N[6,6]HH)(C[6a]C[6a]H){1|Br<1>,2|C<4>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2{1|N<3>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|C<3>,2|N<3>,3|H<1>}	119.3000	0.000	1	120.3411	0.316	53	120.2437	0.593	138	120.1431	1.867	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]N[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]N[6,6]HH)(C[6a]C[6a]H){1|H<1>,2|C<3>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2{1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|C<3>,2|N<3>,3|H<1>}	120.4115	0.347	2	120.3411	0.316	53	120.2437	0.593	138	120.1431	1.867	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]N[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]N[6,6]HH)(C[6a]C[6a]H){1|H<1>,2|C<3>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2{1|N<3>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|Br<1>,1|C<3>,2|H<1>,2|N<3>}	120.7475	0.052	2	120.3411	0.316	53	120.2437	0.593	138	120.1431	1.867	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]N[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]N[6,6]HH)(C[6a]C[6a]H){1|H<1>,2|C<3>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2{1|N<3>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|C<3>,2|N<3>,3|H<1>}	120.5280	0.389	26	120.3411	0.316	53	120.2437	0.593	138	120.1431	1.867	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]N[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]N[6,6]HH)(C[6a]C[6a]H){1|H<1>,2|C<4>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2{1|N<3>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|C<3>,2|N<3>,3|H<1>}	120.5887	0.702	6	120.3411	0.316	53	120.2437	0.593	138	120.1431	1.867	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]N[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]N[6,6]HH)(C[6a]C[6a]H){1|S<2>,2|C<3>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2{1|N<3>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|C<3>,2|N<3>,3|H<1>}	120.2555	0.384	2	120.3411	0.316	53	120.2437	0.593	138	120.1431	1.867	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]N[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]N[6,6]HH)(C[6a]C[6a]H){1|S<3>,2|C<3>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2{1|N<3>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|C<3>,2|N<3>,3|H<1>}	120.0178	0.584	4	120.3411	0.316	53	120.2437	0.593	138	120.1431	1.867	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]N[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]N[6,6]HH)(C[6a]C[6a]H){1|Se<2>,2|C<3>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2{1|N<3>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|C<3>,2|N<3>,3|H<1>}	119.9120	0.530	2	120.3411	0.316	53	120.2437	0.593	138	120.1431	1.867	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]N[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]N[6,6]HH)(C[6a]C[6a]H){2|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2{1|N<4>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|C<3>,1|N<3>,1|N<4>,3|H<1>}	121.2450	0.000	1	120.3411	0.316	53	120.2437	0.593	138	120.1431	1.867	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]N[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]N[6,6]HH)(C[6a]C[6a]H){2|C<3>,4|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2{1|N<3>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|C<3>,2|N<3>,3|H<1>}	119.0790	0.000	1	120.3411	0.316	53	120.2437	0.593	138	120.1431	1.867	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]N[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C[6])(H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]N[6,6]HH)(C[6a]C[6a]H){1|H<1>,2|C<4>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2{1|N<3>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C[6])(H){2|N<3>,3|C<3>,3|H<1>}	120.3460	0.962	2	120.3460	0.925	2	120.2437	0.593	138	120.1431	1.867	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]N[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]N[6,6]HH)(C[6a]C[6a]H){1|Cl<1>,1|H<1>,2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2{1|N<3>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H){1|C<3>,2|N<3>,3|H<1>}	120.2863	0.534	10	120.2863	0.285	10	120.2437	0.593	138	120.1431	1.867	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]N[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]N[6,6]HH)(C[6a]C[6a]H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2{1|N<3>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|N<3>,3|H<1>}	120.0348	0.598	16	120.0892	0.355	18	120.2437	0.593	138	120.1431	1.867	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]N[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]N[6,6]HH)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2{1|N<3>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|N<3>,3|H<1>}	120.5250	0.496	2	120.0892	0.355	18	120.2437	0.593	138	120.1431	1.867	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]N[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]I)(H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]N[6,6]HH)(C[6a]C[6a]H){1|H<1>,1|I<1>,2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2{1|N<3>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]I)(H){1|C<3>,2|N<3>,3|H<1>}	120.0740	0.470	11	120.0740	0.221	11	120.2437	0.593	138	120.1431	1.867	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]N[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]N[6,6]HH)(C[6a]C[6a]H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2{1|N<3>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|O<2>,2|H<1>,2|N<3>}	120.5460	0.000	1	120.0598	0.216	13	120.2437	0.593	138	120.1431	1.867	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]N[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]N[6,6]HH)(C[6a]C[6a]H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2{1|N<3>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,2|N<3>,3|H<1>}	120.0193	0.461	12	120.0598	0.216	13	120.2437	0.593	138	120.1431	1.867	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:O[4,6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]O[4,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(O[4,6]Ge[4,6]2)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]O[4,6]HH)(C[6a]C[6a]H){1|Br<1>,2|Ge<3>,1|C<3>,1|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(O[4,6]Ge[4,6]2)(H)2{1|H<1>,1|O<3>,2|C<3>,2|O<2>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H){1|C<3>,1|O<2>,1|O<3>,3|H<1>}	121.6070	0.000	1	121.6070	0.000	1	121.7815	0.061	2	120.1431	1.867	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:O[4,6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]O[4,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(O[4,6]Ge[4,6]2)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]O[4,6]HH)(C[6a]C[6a]H){2|Ge<3>,1|C<3>,1|C<4>,1|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(O[4,6]Ge[4,6]2)(H)2{1|H<1>,1|O<3>,2|C<3>,2|O<2>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|C<3>,1|O<2>,1|O<3>,3|H<1>}	121.9560	0.000	1	121.9560	0.000	1	121.7815	0.061	2	120.1431	1.867	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	N[5a,6]-3:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5a,6]HH)(C[6a]C[6a]H)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6,6a]C[6,6a]C[6a])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5a,6]HH)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6,6a]C[6,6a]C[6a])(H)2{1|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,3|H<1>}	120.1935	0.281	2	120.1935	0.079	2	120.0897	0.072	3	120.1431	1.867	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	N[5a,6]-3:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5a,6]HH)(C[6a]C[6a]H)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6,6a]C[6,6a]C[6a])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5a,6]HH)(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6,6a]C[6,6a]C[6a])(H)2{1|H<1>,1|O<2>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|N<3>,2|H<1>,2|O<2>}	119.8820	0.000	1	119.8820	0.000	1	120.0897	0.072	3	120.1431	1.867	282	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:1:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HH)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])2(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HH)(C[6a]C[6a]O){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(H)2{2|O<2>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OC){3|C<3>,3|H<1>}	121.5965	0.689	2	121.3467	1.020	6	120.1450	2.289	14	119.9996	2.112	21	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:1:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HH)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])2(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HH)(C[6a]C[6a]O){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(H)2{1|C<4>,2|O<2>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OC){1|C<4>,2|C<3>,3|H<1>}	122.2390	0.301	2	121.3467	1.020	6	120.1450	2.289	14	119.9996	2.112	21	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:1:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HH)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])2(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HH)(C[6a]C[6a]O){1|H<1>,3|C<3>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])2(H)2{1|C<4>,2|O<2>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OC){1|C<4>,2|C<3>,3|H<1>}	120.2045	0.456	2	121.3467	1.020	6	120.1450	2.289	14	119.9996	2.112	21	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:1:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HH)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])2(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HH)(C[6a]C[6a]O){1|O<1>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(H)2{2|O<2>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){3|C<3>,3|H<1>}	118.6192	0.158	6	118.6192	0.025	6	120.1450	2.289	14	119.9996	2.112	21	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:1:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HH)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])2(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OS)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HH)(C[6a]C[6a]O){3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])2(H)2{1|C<4>,2|O<2>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OS){1|C<4>,2|C<3>,3|H<1>}	121.1175	0.088	2	121.1175	0.008	2	120.1450	2.289	14	119.9996	2.112	21	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:1:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5,6]HH)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5,6]HH)(C[6a]C[6a]O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<4>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|N<3>,2|C<3>,3|H<1>}	119.0900	0.000	1	119.0900	0.000	1	119.0900	0.000	1	119.9996	2.112	21	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:1:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[6,6]HH)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[6,6]HH)(C[6a]C[6a]O){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(H)2{1|O<2>,2|C<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	119.1200	0.000	1	119.1200	0.000	1	119.8120	2.231	6	119.9996	2.112	21	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:1:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[6,6]HH)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[6,6]HH)(C[6a]C[6a]O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(H)2{1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	119.5840	0.395	2	120.2308	3.002	4	119.8120	2.231	6	119.9996	2.112	21	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:1:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[6,6]HH)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[6,6]HH)(C[6a]C[6a]O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(H)2{1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC){1|N<3>,2|C<3>,3|H<1>}	122.7720	0.000	1	120.2308	3.002	4	119.8120	2.231	6	119.9996	2.112	21	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:1:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[6,6]HH)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[6,6]HH)(C[6a]C[6a]O){1|Cl<1>,1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(H)2{1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	118.9830	0.000	1	120.2308	3.002	4	119.8120	2.231	6	119.9996	2.112	21	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:1:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[6,6]HH)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC[6])	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[6,6]HH)(C[6a]C[6a]O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(H)2{1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC[6]){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	118.8290	0.000	1	118.8290	0.000	1	119.8120	2.231	6	119.9996	2.112	21	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HH)(C[6a]C[6a]C)	C[6](C[6,6a]C[6,6a]C[6a])2(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CNN)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HH)(C[6a]C[6a]C){3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])2(H)2{1|C<4>,6|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CNN){1|C<4>,2|C<3>,3|H<1>}	123.8710	0.697	6	123.8710	0.486	6	123.8710	0.486	6	122.9390	2.766	9	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[5a,6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5a,6]HH)(C[6a]C[6a]2)	C[6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6]C[5a])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5a,6]HH)(C[6a]C[6a]2){1|O<1>,2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6]C[5a])(H)2{1|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<3>,4|C<3>,5|H<1>}	119.4420	0.000	1	119.4420	0.000	1	119.4420	0.000	1	122.9390	2.766	9	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:N-3:	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]N[6,6]HH)(C[6a]C[6a]N)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(NOO)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]N[6,6]HH)(C[6a]C[6a]N){1|O<2>,2|C<3>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2{2|H<1>,2|N<3>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(NOO){1|C<3>,2|H<1>,3|N<3>}	121.8915	0.255	2	121.8915	0.065	2	121.8915	0.065	2	122.9390	2.766	9	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:1:1:	3:3:4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]HH)(C[6a]C[6a]C)	C[6](C[6,6a]C[6,6a]C[6a])2(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CH3)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]HH)(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(H)2{1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CH3){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	121.2790	0.000	1	121.2790	0.000	1	121.2790	0.000	1	121.8523	0.401	3	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:1:1:	3:3:4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:Si-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HH)(C[6a]C[6a]Si)	C[6](C[6,6a]C[6,6a]C[6a])2(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(SiC3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HH)(C[6a]C[6a]Si){1|Si<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(H)2{1|Si<4>,1|C<4>,1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(SiC3){1|C<4>,2|H<1>,3|C<3>}	122.1390	0.556	2	122.1390	0.309	2	122.1390	0.309	2	121.8523	0.401	3	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:2:1:	3:3:1:	C[6,6a,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[6]-3:O[6]-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6]N[6]O[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]2)(O[6]C[6])(H)	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6]N[6]O[6]H)(C[6a]C[6a]H){1|H<1>,2|C<4>,4|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]2)(O[6]C[6])(H){1|O<1>,2|C<4>,3|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	121.1740	0.000	1	121.1740	0.000	1	121.1740	0.000	1	120.6614	6.884	36	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:2:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5a]-3:O[6]-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a]O[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]N[5a])(O[6]C[6])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a]O[6]H)(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|N<2>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]N[5a])(O[6]C[6])(H){1|C<4>,1|N<2>,1|N<3>,2|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	119.1310	0.000	1	119.1310	0.000	1	119.1310	0.000	1	120.6614	6.884	36	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:2:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-3:O-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HO)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]O[6,6]C[6])(OH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HO)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]O[6,6]C[6])(OH)(H){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	119.9830	0.000	1	119.9830	0.000	1	119.9830	0.000	1	120.6614	6.884	36	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:2:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HO)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(OH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HO)(C[6a]C[6a]H){1|H<1>,1|N<2>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(OH)(H){2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|H<1>,3|C<3>}	122.2460	0.041	2	121.7542	0.370	4	121.7542	0.370	4	120.6614	6.884	36	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:2:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HO)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(OH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HO)(C[6a]C[6a]H){2|H<1>,2|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(OH)(H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	121.2625	0.375	2	121.7542	0.370	4	121.7542	0.370	4	120.6614	6.884	36	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:2:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:S-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]HS)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(SC[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]HS)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(SC[6a])(H){1|H<1>,1|N<2>,1|N<3>,1|O<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,2|C<3>,2|O<2>}	122.3760	0.856	2	122.3760	0.732	2	122.3760	0.732	2	120.6614	6.884	36	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:2:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-3:N[6]-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6]N[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6])(N[6]S[6])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6]N[6]H)(C[6a]C[6a]H){1|S<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6])(N[6]S[6])(H){1|H<1>,1|O<2>,3|O<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<2>,1|O<2>,2|C<3>,2|H<1>}	121.0130	0.000	1	121.0130	0.000	1	121.0130	0.000	1	120.6614	6.884	36	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:2:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H){1|N<3>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6])(H){1|Cl<1>,1|C<4>,1|H<1>,1|N<2>,1|N<3>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	125.2300	0.000	1	125.1580	0.010	2	125.1580	0.010	2	120.6614	6.884	36	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:2:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H){1|O<2>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6])(H){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	125.0860	0.000	1	125.1580	0.010	2	125.1580	0.010	2	120.6614	6.884	36	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:2:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6a]O[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6,6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]H)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6a]O[6]H)(C[6a]C[6a]H){1|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6,6a])(H){3|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]H)(H){1|H<1>,1|O<2>,4|C<3>}	121.3180	0.000	1	121.3180	0.000	1	120.8043	4.768	19	120.6614	6.884	36	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:2:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6]C[6a]O[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]H)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6]C[6a]O[6]H)(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(H){3|C<4>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]H)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	115.8130	0.000	1	115.8130	0.000	1	120.8043	4.768	19	120.6614	6.884	36	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:2:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]O[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(O[6]C[6])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]O[6]H)(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(O[6]C[6])(H){1|C<4>,1|O<2>,3|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	119.5997	0.171	3	119.4935	0.064	4	120.8043	4.768	19	120.6614	6.884	36	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:2:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]O[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(O[6]C[6])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]O[6]H)(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(O[6]C[6])(H){1|C<4>,4|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	119.1750	0.000	1	119.4935	0.064	4	120.8043	4.768	19	120.6614	6.884	36	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:2:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]O[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]O[6]H)(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(H){1|C<4>,4|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	119.9425	0.484	2	121.9450	6.375	4	120.8043	4.768	19	120.6614	6.884	36	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:2:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]O[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]O[6]H)(C[6a]C[6a]H){1|O<2>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	125.1410	0.000	1	121.9450	6.375	4	120.8043	4.768	19	120.6614	6.884	36	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:2:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]O[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]O[6]H)(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	122.7540	0.000	1	121.9450	6.375	4	120.8043	4.768	19	120.6614	6.884	36	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:2:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]O[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]O[6]H)(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(H){1|C<4>,1|F<1>,4|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	119.9850	0.000	1	121.6497	3.556	7	120.8043	4.768	19	120.6614	6.884	36	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:2:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]O[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]O[6]H)(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(H){1|C<4>,4|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	119.7290	0.240	2	121.6497	3.556	7	120.8043	4.768	19	120.6614	6.884	36	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:2:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]O[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]O[6]H)(C[6a]C[6a]H){1|O<2>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	124.3150	0.000	1	121.6497	3.556	7	120.8043	4.768	19	120.6614	6.884	36	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:2:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]O[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]O[6]H)(C[6a]C[6a]H){1|O<2>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	122.5967	0.817	3	121.6497	3.556	7	120.8043	4.768	19	120.6614	6.884	36	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:2:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]O[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]O[6]H)(C[6a]C[6a]H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(H){1|N<2>,3|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|N<2>,1|O<2>,2|C<3>,2|H<1>}	121.5710	0.000	1	121.5710	0.000	1	120.8043	4.768	19	120.6614	6.884	36	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:2:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]C[6a]O[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6,6])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]C[6a]O[6]H)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6,6])(H){1|N<3>,4|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	119.2770	0.000	1	119.2770	0.000	1	120.8043	4.768	19	120.6614	6.884	36	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:2:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:H-1:	C[6a,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]C[6,6a]S[6a])(C[6]C[6a]S[6]H)(C[6a]C[6a,6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(S[6]C[6,6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(O)	C[6,6a](C[6,6a]C[6,6a]S[6a])(C[6]C[6a]S[6]H)(C[6a]C[6a,6a]O){6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(S[6]C[6,6a])(H){1|O<1>,1|S<2>,2|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(O){2|H<1>,2|S<2>,4|C<3>}	113.9110	0.270	2	113.9110	0.073	2	113.9110	0.073	2	120.6614	6.884	36	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:2:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[5,6]-3:O-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5,6]HO)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]N[5,6]C[5])(OH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5,6]HO)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]N[5,6]C[5])(OH)(H){1|H<1>,3|C<4>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	118.9670	0.000	1	118.9670	0.000	1	118.9670	0.000	1	120.6614	6.884	36	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:2:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[5a]-3:O[6]-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5a]O[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5a]C[5a,6a]N[5a])(O[6]C[6])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5a]O[6]H)(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5a]C[5a,6a]N[5a])(O[6]C[6])(H){1|C<4>,1|N<2>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	118.9720	0.000	1	118.9720	0.000	1	118.9720	0.000	1	120.6614	6.884	36	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:2:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[6,6a]-3:O-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[6,6a]HO)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6a]C[6,6a]C[6a])(OH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[6,6a]HO)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6a]C[6,6a]C[6a])(OH)(H){1|H<1>,1|N<2>,1|O<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	119.3820	0.000	1	119.3820	0.000	1	119.3820	0.000	1	120.6614	6.884	36	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:2:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:N-2:H-1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HN)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])2(NC)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HN)(C[6a]C[6a]O){1|O<1>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(NC)(H){2|O<2>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|N<2>,2|H<1>,3|C<3>}	118.2280	1.067	4	118.2280	1.138	4	118.2280	1.138	4	119.1534	3.168	20	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:2:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-2:H-1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HO)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])2(OH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HO)(C[6a]C[6a]O){1|N<2>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(OH)(H){2|O<2>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|O<2>,2|H<1>,3|C<3>}	120.4060	0.764	2	119.0813	2.633	12	119.0813	2.633	12	119.1534	3.168	20	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:2:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-2:H-1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HO)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])2(OH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HO)(C[6a]C[6a]O){1|O<1>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(OH)(H){2|O<2>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|O<2>,2|H<1>,3|C<3>}	118.7230	0.378	4	119.0813	2.633	12	119.0813	2.633	12	119.1534	3.168	20	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:2:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-2:H-1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HO)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])2(OH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HO)(C[6a]C[6a]O){1|O<2>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])2(OH)(H){1|C<4>,2|O<2>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.8680	0.198	2	119.0813	2.633	12	119.0813	2.633	12	119.1534	3.168	20	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:2:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-2:H-1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HO)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])2(OH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HO)(C[6a]C[6a]O){2|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(OH)(H){1|C<4>,2|O<2>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	117.8840	1.981	4	119.0813	2.633	12	119.0813	2.633	12	119.1534	3.168	20	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:2:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:S-2:H-1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HS)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a,6a]N[6a])(C[6,6a]C[6,6a]C[6a])(SC)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HS)(C[6a]C[6a]O){1|H<1>,1|N<2>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a,6a]N[6a])(C[6,6a]C[6,6a]C[6a])(SC)(H){2|O<2>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|S<2>,2|H<1>,3|C<3>}	117.7880	0.000	1	117.7880	0.000	1	117.7880	0.000	1	119.1534	3.168	20	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:2:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:H-1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]O[6]H)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]O[6]H)(C[6a]C[6a]O){3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(H){1|O<2>,2|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|H<1>,2|O<2>,3|C<3>}	123.6230	0.000	1	123.6230	0.000	1	121.1303	5.366	3	119.1534	3.168	20	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:2:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:H-1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]O[6]H)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]O[6]H)(C[6a]C[6a]O){1|C<4>,1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(H){1|C<4>,1|O<2>,2|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC){1|H<1>,2|O<2>,3|C<3>}	119.0440	0.000	1	119.8840	1.411	2	121.1303	5.366	3	119.1534	3.168	20	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:2:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:H-1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]O[6]H)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]O[6]H)(C[6a]C[6a]O){1|O<2>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	120.7240	0.000	1	119.8840	1.411	2	121.1303	5.366	3	119.1534	3.168	20	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:2:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:S-2:H-1:	C[6,6a]-3:C[6a]-3:N-3:	C[6,6a](C[6,6a]N[6a]O[6])(C[6]C[6,6a]HS)(C[6a]C[6a]N)	C[6](C[6,6a]C[6,6a]C[6a])2(SC[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(NHH)	C[6,6a](C[6,6a]N[6a]O[6])(C[6]C[6,6a]HS)(C[6a]C[6a]N){1|C<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(SC[6a])(H){1|H<1>,1|N<2>,1|N<3>,1|O<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(NHH){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<2>,1|S<2>}	122.5740	0.692	2	122.5740	0.478	2	122.5740	0.478	2	122.5740	0.478	2	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:2:1:	3:3:4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[5a,6]-3:C[6,6a]-3:C-2:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]CH)(C[6a]C[6a]C)	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(CC)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]CH)(C[6a]C[6a]C){3|C<3>,4|H<1>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(CC)(H){1|H<1>,1|S<2>,2|C<4>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CH3){1|C<2>,1|C<4>,2|C<3>,2|H<1>}	118.7280	0.769	2	118.7280	0.592	2	118.7280	0.592	2	119.8918	3.988	4	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:2:1:	3:3:4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:H-1:	C[6a,6a]-3:C[6,6a]-3:P-4:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]H)(C[6a]C[6a,6a]P)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6,6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(PC[6a]2O)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]H)(C[6a]C[6a,6a]P){7|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|P<4>,2|H<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(PC[6a]2O){1|O<2>,2|H<1>,5|C<3>}	122.7810	0.000	1	122.7810	0.000	1	122.7810	0.000	1	119.8918	3.988	4	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:2:1:	3:3:4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[5]-3:O[6]-2:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5]O[6]H)(C[6a]C[6a]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[5]C[5]N[5])(O[6]C[6])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CCHP)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5]O[6]H)(C[6a]C[6a]C){1|C<4>,1|N<3>,1|P<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5]C[5]N[5])(O[6]C[6])(H){1|H<1>,4|C<3>,5|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CCHP){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	119.3300	0.000	1	119.3300	0.000	1	119.3300	0.000	1	119.8918	3.988	4	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:2:2:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-2:O-2:	C[6,6a]-3:C[6a]-3:Br-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CO)(C[6a]C[6a]Br)	C[6](C[6,6a]C[6,6a]C[6a])2(CC)(OH)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(Br)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CO)(C[6a]C[6a]Br){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CC)(OH){1|Br<1>,1|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(Br){1|C<2>,1|C<4>,1|O<2>,3|C<3>}	120.6880	0.000	1	120.6880	0.000	1	120.6880	0.000	1	118.0577	4.512	32	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:2:2:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-2:O-2:	C[6,6a]-3:C[6a]-3:Cl-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CO)(C[6a]C[6a]Cl)	C[6](C[6,6a]C[6,6a]C[6a])2(CC)(OH)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(Cl)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CO)(C[6a]C[6a]Cl){1|C<2>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CC)(OH){1|Cl<1>,1|C<4>,1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(Cl){1|C<2>,1|C<4>,1|H<1>,1|O<2>,2|C<3>}	121.0759	0.359	8	121.0759	0.129	8	121.0759	0.129	8	118.0577	4.512	32	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:2:2:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-2:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CO)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CC)(OC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CO)(C[6a]C[6a]H){1|C<2>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CC)(OC){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<2>,1|C<4>,1|H<1>,1|O<2>,2|C<3>}	117.3295	0.327	4	117.3295	0.107	4	116.8283	1.347	21	118.0577	4.512	32	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:2:2:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-2:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CO)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CC)(OH)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CO)(C[6a]C[6a]H){1|C<2>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CC)(OH){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<2>,1|C<4>,1|H<1>,1|O<2>,2|C<3>}	117.7566	0.427	8	116.7104	1.586	17	116.8283	1.347	21	118.0577	4.512	32	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:2:2:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-2:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CO)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CC)(OH)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CO)(C[6a]C[6a]H){1|Cl<1>,1|C<2>,1|H<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CC)(OH){1|Cl<1>,1|C<4>,1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<2>,1|C<4>,1|H<1>,1|O<2>,2|C<3>}	115.4830	0.413	8	116.7104	1.586	17	116.8283	1.347	21	118.0577	4.512	32	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:2:2:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-2:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CO)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CC)(OH)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CO)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CC)(OH){1|Br<1>,1|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,1|O<2>,3|C<3>}	118.1590	0.000	1	116.7104	1.586	17	116.8283	1.347	21	118.0577	4.512	32	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:2:2:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-2:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]OO)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(OC)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]OO)(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(OC)2{1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	117.5790	0.181	2	117.5790	0.033	2	117.5790	0.033	2	118.0577	4.512	32	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:2:2:	3:3:4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-2:O-2:	C[6,6a]-3:C[6a]-3:P-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]OO)(C[6a]C[6a]P)	C[6](C[6,6a]C[6,6a]C[6a])2(OC[6])(OPt)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(PC[6a]2Pt)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]OO)(C[6a]C[6a]P){1|O<1>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(OC[6])(OPt){2|P<4>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(PC[6a]2Pt){1|H<1>,2|O<2>,3|C<3>}	125.6080	1.317	2	125.6080	1.734	2	125.6080	1.734	2	125.6080	1.734	2	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:2:3:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5a]-3:O[6]-2:C-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]O[6]C)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]S[5a])(O[6]C[6,6a])(CCH)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]O[6]C)(C[6a]C[6a]H){1|S<2>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]S[5a])(O[6]C[6,6a])(CCH){2|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,4|C<3>}	120.7650	0.000	1	120.7650	0.000	1	120.7650	0.000	1	119.9920	0.558	3	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:2:3:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:C-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]N[6]C)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]S[6])(COO)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]N[6]C)(C[6a]C[6a]H){1|S<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]S[6])(COO){1|O<2>,2|O<1>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|O<2>,3|C<3>}	119.9370	0.000	1	119.9370	0.000	1	119.9370	0.000	1	119.9920	0.558	3	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:2:3:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:N-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6a]O[6]N)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]O[6])(NHH)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6a]O[6]N)(C[6a]C[6a]H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]O[6])(NHH){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	119.2740	0.000	1	119.2740	0.000	1	119.2740	0.000	1	119.9920	0.558	3	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:2:4:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:P-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]N[6]P)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]S[6])(PO3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]N[6]P)(C[6a]C[6a]H){1|S<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]S[6])(PO3){1|O<2>,2|O<1>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|O<2>,1|P<4>,2|C<3>}	120.7470	0.000	1	120.7470	0.000	1	120.7470	0.000	1	122.6459	1.910	11	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:2:4:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]C)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6,6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]C)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6,6a])(CH3){3|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	122.3575	0.743	2	122.3575	0.552	2	122.8358	1.682	10	122.6459	1.910	11	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:2:4:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]C)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6,6a])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]C)(C[6a]C[6a]H){1|H<1>,1|O<2>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6,6a])(CH3){3|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	122.2650	0.000	1	122.2650	0.000	1	122.8358	1.682	10	122.6459	1.910	11	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:2:4:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]O[6]C)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]O[6]C)(C[6a]C[6a]H){1|O<2>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(CH3){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){2|C<3>,2|C<4>,2|O<2>}	122.9760	0.799	2	122.9760	0.638	2	122.8358	1.682	10	122.6459	1.910	11	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:2:4:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]O[6]C)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(CCFF)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]O[6]C)(C[6a]C[6a]H){1|C<4>,1|S<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(CCFF){1|C<4>,1|N<2>,1|N<3>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	122.4110	0.000	1	122.4110	0.000	1	122.8358	1.682	10	122.6459	1.910	11	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:2:4:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]O[6]C)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(CClHH)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]O[6]C)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(CClHH){1|C<4>,1|N<2>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,1|O<2>,2|C<3>}	123.8960	0.000	1	124.1163	1.658	3	122.8358	1.682	10	122.6459	1.910	11	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:2:4:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]O[6]C)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(CClHH)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]O[6]C)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(CClHH){1|N<2>,3|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,1|O<2>,2|C<3>}	122.9530	0.000	1	124.1163	1.658	3	122.8358	1.682	10	122.6459	1.910	11	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:2:4:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]O[6]C)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(CClHH)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]O[6]C)(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(CClHH){1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	125.5000	0.000	1	124.1163	1.658	3	122.8358	1.682	10	122.6459	1.910	11	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:2:4:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]O[6]C)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(CF3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]O[6]C)(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(CF3){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|O<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	120.6660	0.000	1	120.6660	0.000	1	122.8358	1.682	10	122.6459	1.910	11	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:3:1:	3:2:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5a]-3:C[6]-3:H-1:	C[6,6a]-3:O[6a]-2:O-1:	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[5a]C[6]H)(C[6a]O[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]S[5a])(C[6]C[6]C)(H)	C[6a](C[6,6a]C[6,6a]C[6])(O[6a]C[6a,6a])(O)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[5a]C[6]H)(C[6a]O[6a]O){1|S<2>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]S[5a])(C[6]C[6]C)(H){1|C<4>,1|N<2>,1|N<3>,1|O<1>,2|C<3>,2|O<2>}	C[6a](C[6,6a]C[6,6a]C[6])(O[6a]C[6a,6a])(O){1|H<1>,1|O<2>,4|C<3>}	118.2315	0.295	2	118.2315	0.087	2	118.2315	0.087	2	119.0025	4.215	19	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:3:1:	3:2:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:N[6a]-2:Cl-1:	C[6,6a](C[6,6a]N[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]N[6a]Cl)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])(Cl)	C[6,6a](C[6,6a]N[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]N[6a]Cl){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)(H){1|Cl<1>,1|O<2>,2|H<1>,2|N<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])(Cl){1|Cl<1>,1|H<1>,1|N<2>,1|O<2>,2|C<3>}	124.6195	0.360	2	124.6195	0.130	2	124.6195	0.130	2	119.0025	4.215	19	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:3:1:	3:2:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:O[6a]-2:O-1:	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]O[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6,6a]C[6,6a]C[6])(O[6a]C[6a,6a])(O)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]O[6a]O){1|C<2>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<1>,2|H<1>,2|O<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(O[6a]C[6a,6a])(O){1|H<1>,1|O<2>,4|C<3>}	118.5178	1.057	4	118.4304	0.608	8	118.3564	0.364	15	119.0025	4.215	19	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:3:1:	3:2:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:O[6a]-2:O-1:	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]O[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6,6a]C[6,6a]C[6])(O[6a]C[6a,6a])(O)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]O[6a]O){6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<1>,2|H<1>,2|O<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(O[6a]C[6a,6a])(O){1|H<1>,1|O<2>,4|C<3>}	118.3430	0.530	4	118.4304	0.608	8	118.3564	0.364	15	119.0025	4.215	19	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:3:1:	3:2:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:O[6a]-2:O-1:	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]O[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6,6a]C[6,6a]C[6])(O[6a]C[6a,6a])(O)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]O[6a]O){1|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)(H){1|Br<1>,1|H<1>,1|O<1>,2|O<2>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(O[6a]C[6a,6a])(O){1|H<1>,1|O<2>,4|C<3>}	118.6280	0.000	1	118.5135	0.026	2	118.3564	0.364	15	119.0025	4.215	19	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:3:1:	3:2:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:O[6a]-2:O-1:	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]O[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6,6a]C[6,6a]C[6])(O[6a]C[6a,6a])(O)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]O[6a]O){1|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)(H){1|O<1>,2|H<1>,2|O<2>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(O[6a]C[6a,6a])(O){1|H<1>,1|O<2>,4|C<3>}	118.3990	0.000	1	118.5135	0.026	2	118.3564	0.364	15	119.0025	4.215	19	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:3:1:	3:2:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:O[6a]-2:O-1:	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]O[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]N)(H)	C[6a](C[6,6a]C[6,6a]C[6])(O[6a]C[6a,6a])(O)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]O[6a]O){1|N<3>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]N)(H){1|H<1>,1|N<3>,2|C<3>,2|O<1>,3|O<2>}	C[6a](C[6,6a]C[6,6a]C[6])(O[6a]C[6a,6a])(O){1|H<1>,1|O<2>,4|C<3>}	118.2290	0.168	3	118.0735	0.116	4	118.3564	0.364	15	119.0025	4.215	19	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:3:1:	3:2:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:O[6a]-2:O-1:	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]O[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]N)(H)	C[6a](C[6,6a]C[6,6a]C[6])(O[6a]C[6a,6a])(O)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]O[6a]O){1|N<3>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]N)(H){1|N<3>,1|O<1>,2|H<1>,2|O<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(O[6a]C[6a,6a])(O){1|H<1>,1|O<2>,4|C<3>}	117.6070	0.000	1	118.0735	0.116	4	118.3564	0.364	15	119.0025	4.215	19	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:3:1:	3:2:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:O[6a]-2:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]O[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6,6a]C[6,6a]C[6])(O[6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]O[6a]O){1|C<2>,1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<1>,2|H<1>,2|O<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(O[6a]C[6a])(O){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	118.5820	0.000	1	118.5820	0.000	1	118.3564	0.364	15	119.0025	4.215	19	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:3:1:	3:3:1:	C[6,6a,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a])(C[6]C[6,6a]C[6a]H)(C[6a]C[6a,6a]H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6,6a]C[6,6a,6a]C[6])(H)	C[6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a])(C[6]C[6,6a]C[6a]H)(C[6a]C[6a,6a]H){8|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H){2|C<4>,2|H<1>,7|C<3>}	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6,6a]C[6,6a,6a]C[6])(H){2|H<1>,6|C<3>}	119.8790	0.000	1	119.8790	0.000	1	119.8790	0.000	1	120.0655	3.439	209	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:3:1:	3:3:1:	C[6,6a,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[5,6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6]N[5,6]C[6a]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6]N[5,6]C[6a]H)(C[6a]C[6a]H){1|C<4>,1|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H){1|O<1>,2|C<4>,4|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|H<1>,3|C<3>}	120.6210	0.000	1	120.6210	0.000	1	120.6210	0.000	1	120.0655	3.439	209	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:3:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6]C[5,6]C[6a]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]H)(H)	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6]C[5,6]C[6a]H)(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	118.3497	0.643	3	118.3923	0.283	4	118.3923	0.283	4	120.0655	3.439	209	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:3:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6]C[5,6]C[6a]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]H)(H)	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6]C[5,6]C[6a]H)(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	118.5200	0.000	1	118.3923	0.283	4	118.3923	0.283	4	120.0655	3.439	209	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:3:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[6]C[6]C)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5a]C[6]H)(C[6a]C[6a]H){1|C<2>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[6]C[6]C)(H){1|O<2>,2|H<1>,2|N<3>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|H<1>,3|C<3>}	121.7250	0.000	1	121.7250	0.000	1	121.7250	0.000	1	120.0655	3.439	209	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:3:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a]N[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a,6a]C[5a])(N[6]C[6]S)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a]N[6]H)(C[6a]C[6a]H){1|C<4>,1|S<4>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a,6a]C[5a])(N[6]C[6]S)(H){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	117.6365	0.705	2	117.6365	0.497	2	121.0051	6.456	15	120.0655	3.439	209	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:3:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a]N[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]N[5a,6a]C[5a])(N[6]C[6a]C[6])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a]N[6]H)(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]N[5a,6a]C[5a])(N[6]C[6a]C[6])(H){1|C<4>,1|N<2>,3|H<1>,7|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	118.5155	1.947	2	118.5155	3.790	2	121.0051	6.456	15	120.0655	3.439	209	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:3:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a]N[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]N[5a]2)(N[6]C[6]N)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a]N[6]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<2>,2|N<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]N[5a]2)(N[6]C[6]N)(H){2|C<3>,2|C<4>,2|N<2>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	119.7300	0.000	1	119.7300	0.000	1	121.0051	6.456	15	120.0655	3.439	209	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:3:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a]N[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]N[5a]O[5a])(N[6]C[6]N)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a]N[6]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<2>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]N[5a]O[5a])(N[6]C[6]N)(H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	118.6670	0.000	1	118.6670	0.000	1	121.0051	6.456	15	120.0655	3.439	209	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:3:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5a]N[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a,6a]C[5a])(N[6]C[6]C)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5a]N[6]H)(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a,6a]C[5a])(N[6]C[6]C)(H){1|O<1>,2|H<1>,2|N<3>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){2|C<3>,2|H<1>,2|N<3>}	121.0250	0.000	1	121.0250	0.000	1	121.0051	6.456	15	120.0655	3.439	209	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:3:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5a]N[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a,6a]C[5a])(N[6]C[6a]C[6])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5a]N[6]H)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a,6a]C[5a])(N[6]C[6a]C[6])(H){1|N<2>,1|N<3>,2|H<1>,7|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	124.5470	0.000	1	124.5470	0.000	1	121.0051	6.456	15	120.0655	3.439	209	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:3:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5a]N[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a,6a]C[5a])(N[6]S[6]H)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5a]N[6]H)(C[6a]C[6a]H){1|S<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a,6a]C[5a])(N[6]S[6]H)(H){1|N<3>,1|O<2>,2|H<1>,2|O<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	120.7610	0.000	1	120.7610	0.000	1	121.0051	6.456	15	120.0655	3.439	209	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:3:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5a]N[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]N[5a]2)(N[6]C[6]C)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5a]N[6]H)(C[6a]C[6a]H){1|C<4>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]N[5a]2)(N[6]C[6]C)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|N<2>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	123.0090	1.429	3	122.7108	1.717	4	121.0051	6.456	15	120.0655	3.439	209	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:3:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5a]N[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]N[5a]2)(N[6]C[6]C)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5a]N[6]H)(C[6a]C[6a]H){1|C<4>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]N[5a]2)(N[6]C[6]C)(H){1|H<1>,1|O<1>,1|O<2>,2|N<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	121.8160	0.000	1	122.7108	1.717	4	121.0051	6.456	15	120.0655	3.439	209	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:3:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5a]N[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]N[5a]2)(N[6]C[6]C)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5a]N[6]H)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]N[5a]2)(N[6]C[6]C)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|N<2>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	122.8730	0.000	1	122.8730	0.000	1	121.0051	6.456	15	120.0655	3.439	209	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:3:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]N[6a]C[6])(C[6]C[5a]N[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a,6a]C[5a])(N[6]C[6a]C[6])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]N[6a]C[6])(C[6]C[5a]N[6]H)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a,6a]C[5a])(N[6]C[6a]C[6])(H){1|N<2>,1|N<3>,2|H<1>,7|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	124.3270	0.000	1	124.3270	0.000	1	121.0051	6.456	15	120.0655	3.439	209	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:3:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6]C[6,6]C[6])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]C[6]H)(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6]C[6,6]C[6])(H){1|H<1>,1|O<1>,2|O<2>,3|C<3>,5|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H){1|O<2>,2|H<1>,3|C<3>}	121.4580	0.000	1	121.4580	0.000	1	121.0955	0.080	4	120.0655	3.439	209	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:3:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6]C[6]2)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]C[6]H)(C[6a]C[6a]H){1|Br<1>,1|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6]C[6]2)(H){1|H<1>,2|C<3>,2|O<1>,2|O<2>,4|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H){1|O<2>,2|H<1>,3|C<3>}	120.9430	0.000	1	120.9430	0.000	1	121.0955	0.080	4	120.0655	3.439	209	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:3:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6]C[6]2)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]C[6]H)(C[6a]C[6a]H){1|C<4>,1|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6]C[6]2)(H){1|H<1>,2|C<3>,2|O<1>,2|O<2>,4|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|O<2>,2|H<1>,3|C<3>}	121.1690	0.000	1	121.1690	0.000	1	121.0955	0.080	4	120.0655	3.439	209	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:3:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6]C[6]2)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]C[6]H)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6]C[6]2)(H){1|H<1>,2|C<3>,2|O<1>,2|O<2>,4|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|H<1>,3|C<3>}	120.8120	0.000	1	120.8120	0.000	1	121.0955	0.080	4	120.0655	3.439	209	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:3:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6]C[6,6]C[6a]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]H)(H)	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6]C[6,6]C[6a]H)(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]H)(H){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	118.9400	0.061	2	118.9400	0.004	2	118.9400	0.004	2	120.0655	3.439	209	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:3:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:B-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]BH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(BPtN)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]BH)(C[6a]C[6a]H){1|B<3>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])2(BPtN)(H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|B<3>,1|C<4>,2|C<3>,2|H<1>}	123.5765	0.440	4	123.5765	0.194	4	123.5765	0.194	4	120.0655	3.439	209	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:3:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(COO)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(COO)(H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	118.6005	0.136	2	118.6005	0.019	2	121.0548	1.464	12	120.0655	3.439	209	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:3:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(COS)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])2(COS)(H){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|H<1>,3|C<3>}	121.4500	0.102	2	121.4500	0.010	2	121.0548	1.464	12	120.0655	3.439	209	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:3:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CNO)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CNO)(H){1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|H<1>,3|C<3>}	121.9515	0.204	2	121.9515	0.042	2	121.0548	1.464	12	120.0655	3.439	209	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:3:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(COO)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(COO)(H){1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|H<1>,3|C<3>}	121.4423	0.482	6	121.4423	0.233	6	121.0548	1.464	12	120.0655	3.439	209	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:3:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6]C[6])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[6,6a]C[6]H)(C[6a]C[6a]H){1|C<4>,2|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6]C[6])(H){1|C<4>,3|H<1>,7|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	120.5290	0.332	2	120.5290	0.110	2	120.5290	0.110	2	120.0655	3.439	209	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:3:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[6,6a]C[6a]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[6,6a]C[6a]H)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H){2|C<4>,3|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	122.9570	0.412	2	122.9570	0.169	2	122.9570	0.169	2	120.0655	3.439	209	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:3:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6a]H)(C[6a]C[6a,6a]H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6a]H)(C[6a]C[6a,6a]H){1|H<1>,7|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H){2|C<4>,2|H<1>,7|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(H){2|H<1>,6|C<3>}	117.9010	0.000	1	117.9010	0.000	1	117.9010	0.000	1	120.0655	3.439	209	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:3:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:N-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HN)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(NC[6a]H)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HN)(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])2(NC[6a]H)(H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	121.1418	0.137	4	121.1418	0.019	4	121.1418	0.019	4	120.0655	3.439	209	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:3:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-3:C-3:Cl-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]ClC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(COO)(Cl)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]ClC)(C[6a]C[6a]H){1|O<1>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(COO)(Cl){2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|Cl<1>,4|C<3>}	121.2720	0.000	1	121.2720	0.000	1	121.2720	0.000	1	120.0655	3.439	209	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:3:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]N[5,6]S[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a,6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C)(C[6a]C[6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(O)	C[6,6a](C[6,6a]N[5,6]S[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a,6a]O){1|C<2>,1|C<4>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C)(C[6a]C[6a]2)(H){1|O<1>,1|S<2>,2|H<1>,2|N<3>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(O){1|N<3>,1|S<2>,2|H<1>,4|C<3>}	115.7330	0.000	1	116.0260	0.172	2	116.0260	0.172	2	120.0655	3.439	209	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:3:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]N[5,6]S[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a,6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C)(C[6a]C[6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(O)	C[6,6a](C[6,6a]N[5,6]S[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a,6a]O){1|C<4>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C)(C[6a]C[6a]2)(H){1|O<1>,1|S<2>,2|H<1>,2|N<3>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(O){1|N<3>,1|S<2>,2|H<1>,4|C<3>}	116.3190	0.000	1	116.0260	0.172	2	116.0260	0.172	2	120.0655	3.439	209	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:3:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[5,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[5,6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[5,6a]H){1|H<1>,1|O<2>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H){1|C<4>,1|H<1>,2|O<2>,3|C<3>}	119.9733	0.349	6	119.9733	0.122	6	120.1724	0.379	7	120.0655	3.439	209	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:3:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[5,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[5,6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[5,6a]H){1|O<2>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)(H){1|N<3>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H){1|C<4>,1|H<1>,2|O<2>,3|C<3>}	121.3670	0.000	1	121.3670	0.000	1	120.1724	0.379	7	120.0655	3.439	209	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:3:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5a,6a]N[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[5a,6a]H)(H)	C[6,6a](C[6,6a]C[5a,6a]N[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,3|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[5a,6a]H)(H){1|H<1>,2|N<3>,3|C<3>}	119.4260	0.000	1	119.4260	0.000	1	120.9595	1.051	35	120.0655	3.439	209	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:3:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]H)(H)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<2>,1|H<1>,1|N<2>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]H)(H){1|H<1>,1|O<2>,4|C<3>}	120.7370	0.304	2	120.7522	0.601	12	120.9595	1.051	35	120.0655	3.439	209	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:3:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]H)(H)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<2>,1|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]H)(H){1|H<1>,1|O<2>,4|C<3>}	120.1890	0.472	3	120.7522	0.601	12	120.9595	1.051	35	120.0655	3.439	209	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:3:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]H)(H)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|F<1>,1|N<3>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]H)(H){1|H<1>,1|O<2>,4|C<3>}	120.6170	0.000	1	120.7522	0.601	12	120.9595	1.051	35	120.0655	3.439	209	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:3:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]H)(H)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]H)(H){1|H<1>,1|O<2>,4|C<3>}	121.1264	1.050	5	120.7522	0.601	12	120.9595	1.051	35	120.0655	3.439	209	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:3:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]H)(H)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,2|H<1>,2|O<2>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]H)(H){1|H<1>,1|O<2>,4|C<3>}	120.7360	0.000	1	120.7522	0.601	12	120.9595	1.051	35	120.0655	3.439	209	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:3:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]O)(H)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<2>,1|O<2>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<2>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]O)(H){1|H<1>,1|O<2>,4|C<3>}	119.6450	0.000	1	119.9690	0.288	5	120.9595	1.051	35	120.0655	3.439	209	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:3:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]O)(H)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<2>,1|O<2>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]O)(H){1|H<1>,1|O<2>,4|C<3>}	119.8115	0.873	2	119.9690	0.288	5	120.9595	1.051	35	120.0655	3.439	209	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:3:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]O)(H)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|O<2>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]O)(H){1|H<1>,1|O<2>,4|C<3>}	120.2885	0.170	2	119.9690	0.288	5	120.9595	1.051	35	120.0655	3.439	209	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:3:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){4|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,4|C<3>}	119.1770	0.000	1	119.1770	0.000	1	120.9595	1.051	35	120.0655	3.439	209	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:3:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|H<1>,3|C<3>}	120.8890	0.000	1	121.6310	1.101	2	120.9595	1.051	35	120.0655	3.439	209	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:3:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|S<4>,2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,3|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|H<1>,3|C<3>}	122.3730	0.000	1	121.6310	1.101	2	120.9595	1.051	35	120.0655	3.439	209	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:3:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|Br<1>,1|C<2>,1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H){1|O<2>,2|H<1>,3|C<3>}	121.5020	0.000	1	121.6243	2.453	4	120.9595	1.051	35	120.0655	3.439	209	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:3:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|Br<1>,1|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H){1|O<2>,2|H<1>,3|C<3>}	120.1560	0.000	1	121.6243	2.453	4	120.9595	1.051	35	120.0655	3.439	209	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:3:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|Br<1>,1|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H){1|O<2>,2|H<1>,3|C<3>}	123.8200	0.000	1	121.6243	2.453	4	120.9595	1.051	35	120.0655	3.439	209	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:3:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|Br<1>,1|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|O<2>,4|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H){1|O<2>,2|H<1>,3|C<3>}	121.0190	0.000	1	121.6243	2.453	4	120.9595	1.051	35	120.0655	3.439	209	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:3:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<2>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|Cl<1>,1|N<3>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,2|O<2>,3|C<3>}	121.4420	0.000	1	121.6723	0.204	6	120.9595	1.051	35	120.0655	3.439	209	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:3:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<2>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,2|O<2>,3|C<3>}	121.4445	0.477	2	121.6723	0.204	6	120.9595	1.051	35	120.0655	3.439	209	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:3:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<2>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){2|Cl<1>,1|H<1>,1|N<3>,1|O<2>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,2|O<2>,3|C<3>}	121.4540	0.000	1	121.6723	0.204	6	120.9595	1.051	35	120.0655	3.439	209	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:3:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|H<1>,3|C<3>}	122.4220	0.000	1	121.6723	0.204	6	120.9595	1.051	35	120.0655	3.439	209	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:3:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|H<1>,3|C<3>}	121.8270	0.000	1	121.6723	0.204	6	120.9595	1.051	35	120.0655	3.439	209	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:3:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)(H){1|O<2>,3|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|O<2>,2|H<1>,3|C<3>}	121.7540	0.000	1	121.7540	0.000	1	120.9595	1.051	35	120.0655	3.439	209	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:3:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)(H){1|O<2>,3|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|H<1>,3|C<3>}	121.2130	0.000	1	121.2130	0.000	1	120.9595	1.051	35	120.0655	3.439	209	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:3:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]N)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]N)(H){1|N<3>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|H<1>,3|C<3>}	121.8880	0.000	1	121.6745	0.091	2	120.9595	1.051	35	120.0655	3.439	209	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:3:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]N)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]N)(H){1|N<3>,2|H<1>,2|O<2>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|H<1>,3|C<3>}	121.4610	0.000	1	121.6745	0.091	2	120.9595	1.051	35	120.0655	3.439	209	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:3:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:N[6a]-3:O-1:	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]N[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a,6a]C)(O)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]N[6a]O){1|C<4>,1|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)(H){1|N<3>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a,6a]C)(O){1|H<1>,1|O<2>,4|C<3>}	117.7140	0.000	1	117.7140	0.000	1	118.2670	1.147	4	120.0655	3.439	209	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:3:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:N[6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]N[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]C)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]N[6a]O){1|C<2>,1|C<4>,1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|O<1>,1|O<2>,2|H<1>,2|N<3>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]C)(O){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	117.3200	0.000	1	117.3200	0.000	1	118.2670	1.147	4	120.0655	3.439	209	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:3:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:N[6a]-3:O-1:	C[6,6a](C[6,6a]N[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]N[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]C)(O)	C[6,6a](C[6,6a]N[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]N[6a]O){2|C<4>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<2>,1|O<1>,2|H<1>,2|N<3>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]C)(O){1|H<1>,1|N<2>,1|N<3>,1|O<1>,2|C<3>}	118.2710	0.000	1	118.2710	0.000	1	118.2670	1.147	4	120.0655	3.439	209	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:3:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:N[6a]-3:O-1:	C[6,6a](C[6,6a]N[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]N[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]C)(O)	C[6,6a](C[6,6a]N[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]N[6a]O){2|C<4>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>,2|N<3>}	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]C)(O){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	119.7630	0.000	1	119.7630	0.000	1	118.2670	1.147	4	120.0655	3.439	209	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:3:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6a,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]S[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]C[6a,6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(O)	C[6,6a](C[6,6a]S[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]C[6a,6a]O){7|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|O<1>,1|S<2>,2|H<1>,2|N<3>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(O){1|N<3>,1|S<2>,2|H<1>,4|C<3>}	117.8475	0.576	2	117.8475	0.332	2	117.8475	0.332	2	120.0655	3.439	209	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:3:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[5,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]C[5,6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]S)(H)	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]C[5,6a]H){1|O<2>,1|S<3>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]S)(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>,2|C<4>}	119.1707	1.108	4	119.1707	1.229	4	119.1707	1.229	4	120.0655	3.439	209	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:3:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]C)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]C)(H){3|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|H<1>,3|C<3>}	121.4050	0.000	1	121.4050	0.000	1	119.9378	2.122	32	120.0655	3.439	209	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:3:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]C)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]C)(H){1|C<4>,4|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	118.4880	0.000	1	118.8639	0.990	8	119.9378	2.122	32	120.0655	3.439	209	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:3:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]C)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]C)(H){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	117.9020	0.222	2	118.8639	0.990	8	119.9378	2.122	32	120.0655	3.439	209	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:3:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]C)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]C)(H){1|C<4>,4|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	118.6657	0.530	3	118.8639	0.990	8	119.9378	2.122	32	120.0655	3.439	209	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:3:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]C)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]C)(H){2|C<4>,4|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	120.3110	0.153	2	118.8639	0.990	8	119.9378	2.122	32	120.0655	3.439	209	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:3:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H){1|C<4>,3|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]H)(H){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	119.9420	0.000	1	119.9420	0.000	1	119.9378	2.122	32	120.0655	3.439	209	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:3:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]H)(H){1|C<4>,4|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	119.5220	0.000	1	119.2343	0.771	8	119.9378	2.122	32	120.0655	3.439	209	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:3:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]H)(H){1|C<4>,4|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	119.3820	1.081	5	119.2343	0.771	8	119.9378	2.122	32	120.0655	3.439	209	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:3:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]H)(H){2|C<4>,4|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	118.7210	0.057	2	119.2343	0.771	8	119.9378	2.122	32	120.0655	3.439	209	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:3:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]S)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H){1|C<4>,1|S<4>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]S)(H){1|C<4>,4|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	118.4365	0.600	2	120.4608	3.811	5	119.9378	2.122	32	120.0655	3.439	209	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:3:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]S)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H){1|S<3>,4|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]S)(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	121.0990	0.000	1	120.4608	3.811	5	119.9378	2.122	32	120.0655	3.439	209	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:3:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]S)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H){1|S<4>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]S)(H){1|N<3>,3|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|H<1>,3|C<3>}	121.6830	0.000	1	120.4608	3.811	5	119.9378	2.122	32	120.0655	3.439	209	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:3:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]S)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H){1|S<4>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]S)(H){1|S<2>,3|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|H<1>,3|C<3>}	122.6490	0.000	1	120.4608	3.811	5	119.9378	2.122	32	120.0655	3.439	209	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:3:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]C)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]C)(H){1|N<2>,3|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,1|O<2>,2|C<3>}	121.8290	0.000	1	121.8290	0.000	1	119.9378	2.122	32	120.0655	3.439	209	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:3:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]H)(H){1|C<4>,1|N<2>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	119.8380	0.000	1	121.4545	5.226	2	119.9378	2.122	32	120.0655	3.439	209	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:3:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H){4|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]H)(H){1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){2|C<3>,2|H<1>,2|N<3>}	123.0710	0.000	1	121.4545	5.226	2	119.9378	2.122	32	120.0655	3.439	209	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:3:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]S[6]H)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H){2|Cl<1>,1|S<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]S[6]H)(H){1|N<3>,1|O<2>,2|H<1>,2|O<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H){2|C<3>,2|H<1>,2|N<3>}	119.4720	0.000	1	119.4720	0.000	1	119.9378	2.122	32	120.0655	3.439	209	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:3:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[5a,6a]C[6a])(N[6]S[6]H)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H){1|S<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[5a,6a]C[6a])(N[6]S[6]H)(H){1|H<1>,2|O<1>,2|O<2>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	120.9570	0.000	1	120.9570	0.000	1	119.9378	2.122	32	120.0655	3.439	209	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:3:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]N)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]N)(H){1|O<2>,4|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	120.7310	0.000	1	120.7310	0.000	1	119.9378	2.122	32	120.0655	3.439	209	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:3:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]S)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H){1|S<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]S)(H){1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	122.0860	0.000	1	122.0860	0.000	1	119.9378	2.122	32	120.0655	3.439	209	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:3:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]S[6]H)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H){1|S<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]S[6]H)(H){1|O<2>,2|O<1>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|O<2>}	120.5510	0.000	1	120.5510	0.000	1	119.9378	2.122	32	120.0655	3.439	209	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:3:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]S)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H){1|S<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]S)(H){1|S<2>,3|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,1|S<2>,2|C<3>,2|H<1>}	121.0400	0.000	1	121.0400	0.000	1	119.9378	2.122	32	120.0655	3.439	209	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:3:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6,6a]-3:N[6a]-3:O-1:	C[6,6a](C[6,6a]N[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]N[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]C)(O)	C[6,6a](C[6,6a]N[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]N[6a]O){2|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]H)(H){1|O<1>,2|N<3>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]C)(O){1|H<1>,1|O<1>,2|C<3>,2|N<3>}	117.3430	0.000	1	117.3430	0.000	1	117.8965	0.613	2	120.0655	3.439	209	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:3:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6,6a]-3:N[6a]-3:O-1:	C[6,6a](C[6,6a]N[6a]N[6])(C[6]C[6a]N[6]H)(C[6a]N[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]C)(O)	C[6,6a](C[6,6a]N[6a]N[6])(C[6]C[6a]N[6]H)(C[6a]N[6a]O){1|H<1>,2|C<4>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]H)(H){1|H<1>,1|N<2>,1|O<1>,1|O<2>,1|S<2>,2|C<3>,2|N<3>}	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]C)(O){1|C<3>,1|H<1>,1|N<2>,1|O<1>,2|N<3>}	118.4500	0.000	1	118.4500	0.000	1	117.8965	0.613	2	120.0655	3.439	209	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:3:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6a,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]N[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]C[6a,6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]C)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(H)	C[6,6a](C[6,6a]N[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]C[6a,6a]H){1|C<4>,2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]C)(H){1|C<4>,1|N<2>,4|C<3>,4|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(H){1|C<4>,1|N<2>,1|N<3>,2|H<1>,3|C<3>}	123.4810	0.892	2	123.4810	0.796	2	122.9593	1.215	3	120.0655	3.439	209	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:3:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6a,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]N[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]C[6a,6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]N)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(H)	C[6,6a](C[6,6a]N[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]C[6a,6a]H){1|C<4>,1|N<2>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]N)(H){1|C<4>,1|N<2>,4|C<3>,4|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(H){1|C<4>,1|N<2>,1|N<3>,2|H<1>,3|C<3>}	121.9160	0.000	1	121.9160	0.000	1	122.9593	1.215	3	120.0655	3.439	209	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:3:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6a,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]S[6a]S[6])(C[6]C[6a]N[6]H)(C[6a]C[6a,6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]C)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(O)	C[6,6a](C[6,6a]S[6a]S[6])(C[6]C[6a]N[6]H)(C[6a]C[6a,6a]O){2|C<4>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]C)(H){1|O<1>,2|S<2>,3|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(O){1|N<3>,2|H<1>,2|S<2>,3|C<3>}	114.8450	0.000	1	114.8450	0.000	1	114.5035	0.233	2	120.0655	3.439	209	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:3:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6a,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]S[6a]S[6])(C[6]C[6a]N[6]H)(C[6a]C[6a,6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(O)	C[6,6a](C[6,6a]S[6a]S[6])(C[6]C[6a]N[6]H)(C[6a]C[6a,6a]O){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]H)(H){1|Cl<1>,1|O<1>,2|H<1>,2|S<2>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(O){1|N<3>,2|H<1>,2|S<2>,3|C<3>}	114.1620	0.000	1	114.1620	0.000	1	114.5035	0.233	2	120.0655	3.439	209	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:3:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[5,6]-3:C-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5,6]CH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(CNO)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5,6]CH)(C[6a]C[6a]H){1|C<4>,2|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(CNO)(H){1|H<1>,1|O<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	118.6630	0.823	2	118.6630	0.677	2	119.0310	0.413	4	120.0655	3.439	209	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:3:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[5,6]-3:C-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[5,6]CH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]C[5,6])(CCH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[5,6]CH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]C[5,6])(CCH)(H){1|H<1>,1|N<2>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	119.3990	0.144	2	119.3990	0.021	2	119.0310	0.413	4	120.0655	3.439	209	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:3:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[5a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5a]C[5a]N[5a])(C[6]C[6]H)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5a]C[6]H)(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5a]C[5a]N[5a])(C[6]C[6]H)(H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	118.4517	0.301	6	118.5010	0.074	8	118.5010	0.074	8	120.0655	3.439	209	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:3:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[5a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5a]C[5a]N[5a])(C[6]C[6]H)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5a]C[6]H)(C[6a]C[6a]H){2|N<3>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5a]C[5a]N[5a])(C[6]C[6]H)(H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	118.6490	0.083	2	118.5010	0.074	8	118.5010	0.074	8	120.0655	3.439	209	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:3:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[5a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5a]N[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5a]C[5a,6a]C[5a])(N[6]C[6]C)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5a]N[6]H)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5a]C[5a,6a]C[5a])(N[6]C[6]C)(H){3|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){2|C<3>,2|H<1>,2|N<3>}	119.8775	1.146	2	119.8775	1.314	2	119.1870	1.151	4	120.0655	3.439	209	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:3:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[5a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5a]N[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5a]C[5a,6a]C[5a])(N[6]C[6]N)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5a]N[6]H)(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5a]C[5a,6a]C[5a])(N[6]C[6]N)(H){1|C<4>,4|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|N<3>}	118.1550	0.000	1	118.1550	0.000	1	119.1870	1.151	4	120.0655	3.439	209	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:3:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[5a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5a]N[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5a]C[5a]N[5a])(N[6]C[5]C[6])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5a]N[6]H)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5a]C[5a]N[5a])(N[6]C[5]C[6])(H){2|C<4>,2|N<2>,4|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|N<3>}	118.8380	0.000	1	118.8380	0.000	1	119.1870	1.151	4	120.0655	3.439	209	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:3:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[6,6]-3:C-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]N[6,6]CH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(CNO)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]N[6,6]CH)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(CNO)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	119.7310	0.000	1	119.7310	0.000	1	119.7310	0.000	1	120.0655	3.439	209	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:3:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[6,6]-3:N-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]N[3x6]C[6a])(C[6]N[6,6]HN)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[3x6])(NC[6a]H)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]N[3x6]C[6a])(C[6]N[6,6]HN)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[3x6])(NC[6a]H)(H){1|N<3>,2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|N<3>}	120.3315	0.265	2	120.3315	0.070	2	119.7807	0.945	3	120.0655	3.439	209	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:3:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[6,6]-3:N-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]N[6,6]HN)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(NHS)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]N[6,6]HN)(C[6a]C[6a]H){2|C<3>,4|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(NHS)(H){1|N<3>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|C<3>,2|H<1>,3|N<3>}	118.6790	0.000	1	118.6790	0.000	1	119.7807	0.945	3	120.0655	3.439	209	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:3:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[6]-3:C[5]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5]N[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[5]C[5]2)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5]N[6]H)(C[6a]C[6a]H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[5]C[5]2)(H){1|N<3>,1|O<1>,2|C<4>,4|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	115.7820	0.000	1	117.9245	9.181	2	117.9245	9.181	2	120.0655	3.439	209	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:3:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[6]-3:C[5]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5]N[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[5]C[5]2)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5]N[6]H)(C[6a]C[6a]H){1|O<2>,2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[5]C[5]2)(H){1|C<4>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	120.0670	0.000	1	117.9245	9.181	2	117.9245	9.181	2	120.0655	3.439	209	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:3:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[6]-3:C[5a]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a]N[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5]C[6])(C[5a]N[5a]2)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a]N[6]H)(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5]C[6])(C[5a]N[5a]2)(H){2|C<4>,2|N<2>,4|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	119.3940	0.000	1	119.3940	0.000	1	120.9802	4.238	5	120.0655	3.439	209	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:3:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[6]-3:C[5a]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a]N[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5]C[6])(C[5a]N[5a]2)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a]N[6]H)(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5]C[6])(C[5a]N[5a]2)(H){2|C<4>,2|N<2>,4|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	118.2090	0.000	1	118.2090	0.000	1	120.9802	4.238	5	120.0655	3.439	209	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:3:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[6]-3:C[5a]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5a]N[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[5a]N[5a]2)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5a]N[6]H)(C[6a]C[6a]H){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[5a]N[5a]2)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|N<2>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	122.4327	0.462	3	122.4327	0.213	3	120.9802	4.238	5	120.0655	3.439	209	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:3:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6]C[6a]N[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5a,6]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6]C[6a]N[6]H)(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5a,6]C[6a])(C[6a]C[6a]2)(H){1|N<3>,3|H<1>,7|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|H<1>,3|C<3>}	120.1600	0.000	1	120.1600	0.000	1	119.6100	2.349	32	120.0655	3.439	209	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:3:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C[6a])(C[6a]C[6a]2)(H){3|H<1>,8|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|H<1>,3|C<3>}	122.8130	0.000	1	122.8130	0.000	1	119.6100	2.349	32	120.0655	3.439	209	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:3:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[6a]C[6a]2)(H){1|C<4>,1|F<1>,4|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	119.8800	1.518	14	119.4849	2.131	30	119.6100	2.349	32	120.0655	3.439	209	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:3:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	118.5390	0.000	1	119.4849	2.131	30	119.6100	2.349	32	120.0655	3.439	209	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:3:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,2|O<2>,3|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	117.6860	0.021	2	119.4849	2.131	30	119.6100	2.349	32	120.0655	3.439	209	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:3:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[6a]C[6a]2)(H){1|C<4>,2|F<1>,3|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	118.4020	0.707	4	119.4849	2.131	30	119.6100	2.349	32	120.0655	3.439	209	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:3:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[6a]C[6a]2)(H){1|C<4>,5|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	119.8564	1.363	9	119.4849	2.131	30	119.6100	2.349	32	120.0655	3.439	209	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:3:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6a]-3:O-1:	C[6,6a](C[6,6a]N[6a]N[6])(C[6]C[6a]N[6]H)(C[6a]N[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]C)(O)	C[6,6a](C[6,6a]N[6a]N[6])(C[6]C[6a]N[6]H)(C[6a]N[6a]O){2|C<4>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[6a]C[6a]2)(H){1|N<2>,1|O<1>,2|N<3>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]C)(O){1|C<3>,1|H<1>,1|N<2>,1|O<1>,2|N<3>}	117.8690	0.000	1	117.8690	0.000	1	117.8690	0.000	1	120.0655	3.439	209	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:3:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]C[6a]H)(C[6a]C[6a]H)	C[6](N[5a,6]C[5a,6,6a]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]C[6a]H)(C[6a]C[6a]H){2|C<2>,6|C<3>}	C[6](N[5a,6]C[5a,6,6a]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H){4|H<1>,7|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|H<1>,2|N<3>,3|C<3>}	116.4025	0.530	2	116.4025	0.281	2	116.4025	0.281	2	120.0655	3.439	209	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:3:1:	3:3:2:	C[6,6a,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6]C[6]C)(H)	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(OH)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]O){1|H<1>,7|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6]C[6]C)(H){1|O<2>,2|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(OH){2|H<1>,4|C<3>}	119.0350	0.000	1	119.0350	0.000	1	119.0350	0.000	1	119.1574	1.417	36	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:3:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-3:H-1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CH)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])2(CCH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CH)(C[6a]C[6a]O){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CCH)(H){3|O<2>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OH){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	120.7700	0.610	2	120.7700	0.372	2	121.1120	0.326	4	119.1574	1.417	36	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:3:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-3:H-1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CH)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])2(CCH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CH)(C[6a]C[6a]O){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CCH)(H){3|O<2>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	121.4540	0.371	2	121.4540	0.137	2	121.1120	0.326	4	119.1574	1.417	36	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:3:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:N-3:H-1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HN)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])2(NCH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HN)(C[6a]C[6a]O){1|O<1>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(NCH)(H){2|O<2>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|N<3>,2|H<1>,3|C<3>}	118.6133	0.663	16	118.6133	0.440	16	118.6133	0.440	16	119.1574	1.417	36	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:3:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6,6a]-3:O-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6,6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6,6a]C[6,6a]C[6])2(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6,6a]O){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])2(OC){2|C<4>,2|H<1>,5|C<3>}	120.1217	0.967	6	120.1217	0.935	6	120.1217	0.935	6	119.1574	1.417	36	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:3:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]O){1|H<1>,1|O<2>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){2|H<1>,2|O<2>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC){1|H<1>,1|O<2>,4|C<3>}	118.6810	0.000	1	118.6810	0.000	1	118.5364	1.232	8	119.1574	1.417	36	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:3:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]O){1|O<2>,3|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<4>,2|H<1>,3|C<3>}	118.0770	0.321	6	118.0770	0.103	6	118.5364	1.232	8	119.1574	1.417	36	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:3:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]O){3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)(H){2|O<2>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|H<1>,2|O<2>,3|C<3>}	121.1480	0.000	1	121.1480	0.000	1	118.5364	1.232	8	119.1574	1.417	36	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:3:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6]C[6a]N[6]H)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5a,6]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6]C[6a]N[6]H)(C[6a]C[6a]O){2|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5a,6]C[6a])(C[6a]C[6a]2)(H){1|N<3>,1|O<2>,2|H<1>,7|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|N<3>,2|H<1>,3|C<3>}	119.3480	0.000	1	119.3480	0.000	1	119.3480	0.000	1	119.1574	1.417	36	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:3:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6,6a]-3:C-3:	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6]C[6a]N[6]H)(C[6a]C[6a,6a]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(CCH)	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6]C[6a]N[6]H)(C[6a]C[6a,6a]C){1|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){1|N<2>,2|H<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(CCH){1|N<2>,1|N<3>,2|H<1>,4|C<3>}	122.7550	0.000	1	122.7550	0.000	1	122.7550	0.000	1	122.7550	0.000	1	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:3:1:	3:3:4:	C[6,6a,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6]C[6a]N[6]H)(C[6a]C[6a]C)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]O)(H)	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(CH3)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6]C[6a]N[6]H)(C[6a]C[6a]C){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]O)(H){1|H<1>,3|C<4>,6|C<3>}	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(CH3){1|N<3>,2|H<1>,3|C<3>}	120.6175	1.923	2	120.6175	3.696	2	120.6175	3.696	2	120.6835	2.878	4	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:3:1:	3:3:4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]S)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]C){1|C<4>,1|S<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]S)(H){2|C<4>,3|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CH3){1|N<3>,2|H<1>,3|C<3>}	119.1810	0.000	1	119.1810	0.000	1	119.1810	0.000	1	120.6835	2.878	4	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:3:1:	3:3:4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6,6a]-3:C-4:	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6]C[6a]N[6]H)(C[6a]C[6a,6a]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(CH3)	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6]C[6a]N[6]H)(C[6a]C[6a,6a]C){1|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){1|C<4>,1|N<2>,2|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(CH3){1|N<2>,1|N<3>,2|H<1>,4|C<3>}	122.3180	0.000	1	122.3180	0.000	1	122.3180	0.000	1	120.6835	2.878	4	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:3:2:	3:3:1:	C[6,6a,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6a,6a])(C[6]C[6,6a]C[6a]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a,6a]C[6a])2(C[6a]C[6a]2)(OH)	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6a,6a])(C[6]C[6,6a]C[6a]O)(C[6a]C[6a]H){8|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])2(C[6a]C[6a]2)(OH){4|H<1>,7|C<3>}	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]2)(H){1|H<1>,1|O<2>,6|C<3>}	119.5210	0.000	1	119.5210	0.000	1	119.3605	0.052	2	118.8314	1.582	20	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:3:2:	3:3:1:	C[6,6a,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6a,6a])(C[6]C[6,6a]C[6a]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a,6a]C[6a])2(C[6a]C[6a]2)(OH)	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6a,6a])(C[6]C[6,6a]C[6a]O)(C[6a]C[6a]H){1|H<1>,7|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])2(C[6a]C[6a]2)(OH){4|H<1>,7|C<3>}	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,4|C<3>}	119.2000	0.000	1	119.2000	0.000	1	119.3605	0.052	2	118.8314	1.582	20	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:3:2:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5a]-3:C[6]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]S[5a])(C[6]C[6,6a]O)(OH)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6]O)(C[6a]C[6a]H){1|O<1>,1|S<2>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]S[5a])(C[6]C[6,6a]O)(OH){1|N<2>,2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,4|C<3>}	118.5050	0.000	1	118.5050	0.000	1	118.5050	0.000	1	118.8314	1.582	20	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:3:2:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-3:C-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CCC)(CN)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|C<2>,1|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CCC)(CN){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<2>,1|C<4>,1|H<1>,3|C<3>}	120.6120	0.242	2	118.7645	1.235	10	118.7645	1.235	10	118.8314	1.582	20	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:3:2:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-3:C-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CCC)(CN)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|C<2>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CCC)(CN){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<2>,1|C<4>,1|H<1>,3|C<3>}	117.7893	0.203	4	118.7645	1.235	10	118.7645	1.235	10	118.8314	1.582	20	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:3:2:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-3:C-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CCC)(CN)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CCC)(CN){2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,4|C<3>}	118.8160	0.314	4	118.7645	1.235	10	118.7645	1.235	10	118.8314	1.582	20	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:3:2:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6]C[6]H)(OC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]O)(C[6a]C[6a]H){1|O<2>,3|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6]C[6]H)(OC){1|C<4>,3|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	117.5020	1.342	2	117.5020	1.801	2	118.1096	0.794	5	118.8314	1.582	20	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:3:2:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6]C[6]H)(OH)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]O)(C[6a]C[6a]H){1|O<2>,3|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6]C[6]H)(OH){1|C<4>,3|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	118.6280	0.256	2	118.6280	0.066	2	118.1096	0.794	5	118.8314	1.582	20	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:3:2:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]N)(OO)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]O)(C[6a]C[6a]H){1|N<2>,2|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]N)(OO){1|C<4>,1|N<2>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	118.2880	0.000	1	118.2880	0.000	1	118.1096	0.794	5	118.8314	1.582	20	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:3:2:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]2O[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(O[6]C[6,6a])	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]2O[6])(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(O[6]C[6,6a]){1|N<3>,5|H<1>,7|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,4|C<3>}	122.3520	0.000	1	122.3520	0.000	1	122.3520	0.000	1	118.8314	1.582	20	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:3:2:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:C-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6]C)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]C)(CC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6]C)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]C)(CC){4|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,1|N<3>,3|C<3>}	118.8580	0.000	1	118.8580	0.000	1	118.8580	0.000	1	118.8314	1.582	20	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:3:3:	3:3:1:	C[5,6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6,6a]-3:Cl-1:	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6]C[6,6a]C[6a]2)(C[6a]C[5a,6a]Cl)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)2	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6,6a]C[5,6,6a]C[6])(Cl)	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6]C[6,6a]C[6a]2)(C[6a]C[5a,6a]Cl){10|C<3>,1|S<2>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)2{1|Cl<1>,1|C<4>,5|H<1>,8|C<3>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6,6a]C[5,6,6a]C[6])(Cl){1|C<4>,6|C<3>}	127.3620	0.000	1	127.3620	0.000	1	127.3620	0.000	1	121.1481	4.454	29	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:3:3:	3:3:1:	C[5,6,6a]-3:C[6]-4:C[6a]-3:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:C-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6,6a]C[5,6a]N[5,6])(C[6]N[5a,6]C[6a]C)(C[6a]C[6a]H)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6,6a]C[5,6,6a]C[6a])(C[6a]C[6a]2)(CCH)	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6,6a]C[5,6a]N[5,6])(C[6]N[5a,6]C[6a]C)(C[6a]C[6a]H){1|H<1>,2|C<4>,5|C<3>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6,6a]C[5,6,6a]C[6a])(C[6a]C[6a]2)(CCH){1|N<2>,1|N<3>,3|H<1>,6|C<3>}	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,2|N<3>,3|C<3>}	123.8640	0.000	1	123.8640	0.000	1	123.8640	0.000	1	121.1481	4.454	29	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:3:3:	3:3:1:	C[6,6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6,6a]C[6,6a]N[3x6])(C[6]C[6,6a]C[6a]2)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6,6a]C[6a])2(C[6a]C[6a]2)2	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]2)(H)	C[6,6a](C[6,6,6a]C[6,6a]N[3x6])(C[6]C[6,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,9|C<3>}	C[6](C[6,6a]C[6,6,6a]C[6a])2(C[6a]C[6a]2)2{1|N<3>,6|H<1>,8|C<3>}	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]2)(H){1|H<1>,1|N<3>,6|C<3>}	120.0733	1.277	6	120.0733	1.631	6	120.7236	1.656	10	121.1481	4.454	29	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:3:3:	3:3:1:	C[6,6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6,6a]C[6,6a]N[3x6])(C[6]C[6,6a]C[6a]2)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6,6a]C[6a])2(C[6a]C[6a]2)2	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6,6a]C[6,6a]N[3x6])(C[6]C[6,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|H<1>,8|C<3>}	C[6](C[6,6a]C[6,6,6a]C[6a])2(C[6a]C[6a]2)2{1|N<3>,6|H<1>,8|C<3>}	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	121.6990	0.369	4	121.6990	0.136	4	120.7236	1.656	10	121.1481	4.454	29	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:3:3:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[5,6]-3:C[6,6a]-3:C-3:C-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]CC)(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]C[5,6])(C[6,6a]C[6,6a]C[6a])(COO)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]CC)(C[6a]C[6a]H){3|C<3>,4|H<1>}	C[6](C[5,6]C[5,6a]C[5,6])(C[6,6a]C[6,6a]C[6a])(COO)2{1|H<1>,2|C<4>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,4|C<3>}	118.7890	0.000	1	118.7890	0.000	1	118.7890	0.000	1	121.1481	4.454	29	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:3:3:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5a]-3:N[6]-3:C-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[5a]N[6]C)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]N[5a])(N[6]C[6]H)(COO)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]O)(H)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[5a]N[6]C)(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<2>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]N[5a])(N[6]C[6]H)(COO){1|O<1>,1|O<2>,1|S<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]O)(H){1|N<3>,1|O<2>,4|C<3>}	120.9390	0.000	1	120.9390	0.000	1	120.9390	0.000	1	121.1481	4.454	29	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:3:3:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[6,6a]C[6a]2)(C[6a]C[6a]H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[6,6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,9|C<3>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)2{1|Cl<1>,1|C<4>,5|H<1>,8|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,4|C<3>}	119.9350	0.000	1	119.9350	0.000	1	119.9350	0.000	1	121.1481	4.454	29	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:3:3:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-3:C[5a]-3:C[5a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]2C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(C[5a]C[5a]2)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]2C[6])(C[6a]C[6a]H){1|Br<1>,1|H<1>,1|O<1>,7|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(C[5a]C[5a]2)2{2|C<4>,2|S<2>,3|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H){1|H<1>,5|C<3>}	119.6500	0.000	1	119.6500	0.000	1	119.6500	0.000	1	121.1481	4.454	29	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:3:3:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]2C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3]C[6])(C[6a]C[6a]2)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]2C[6])(C[6a]C[6a]H){1|C<4>,3|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3]C[6])(C[6a]C[6a]2)2{1|N<3>,2|C<4>,6|H<1>,7|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	119.7660	0.000	1	119.7660	0.000	1	119.7660	0.000	1	121.1481	4.454	29	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:3:3:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]2C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(C[6]C[6]N)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]2C[6])(C[6a]C[6a]H){1|N<2>,1|O<2>,2|H<1>,7|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(C[6]C[6]N){1|C<4>,1|N<2>,5|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,4|C<3>}	117.5030	0.000	1	117.5030	0.000	1	120.5047	10.160	3	121.1481	4.454	29	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:3:3:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]2C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(C[6]C[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]2C[6])(C[6a]C[6a]H){1|O<1>,2|H<1>,7|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(C[6]C[6]O){1|S<4>,5|H<1>,7|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,5|C<3>}	120.1610	0.000	1	120.1610	0.000	1	120.5047	10.160	3	121.1481	4.454	29	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:3:3:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]2C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(C[6]O[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]2C[6])(C[6a]C[6a]H){1|O<1>,1|O<2>,3|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(C[6]O[6]O){1|C<4>,5|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,4|C<3>}	123.8500	0.000	1	123.8500	0.000	1	120.5047	10.160	3	121.1481	4.454	29	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:3:3:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:C-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6]C)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]C)(COO)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6]C)(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]C)(COO){1|C<4>,4|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	117.6960	0.000	1	117.6960	0.000	1	121.0360	3.318	6	121.1481	4.454	29	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:3:3:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:C-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]N[6]C)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]C)(COO)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]N[6]C)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]C)(COO){1|N<2>,3|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<2>,1|N<3>,1|O<2>,3|C<3>}	121.9380	0.387	2	121.9380	0.150	2	121.0360	3.318	6	121.1481	4.454	29	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:3:3:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:C-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]N[6]C)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]H)(COO)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]N[6]C)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]H)(COO){1|O<2>,4|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N)(H){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	122.9220	0.000	1	122.9220	0.000	1	121.0360	3.318	6	121.1481	4.454	29	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:3:3:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:C-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]N[6]C)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]S[6]H)(COO)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]N[6]C)(C[6a]C[6a]H){1|S<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]S[6]H)(COO){1|O<2>,2|O<1>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	120.8610	0.197	2	120.8610	0.039	2	121.0360	3.318	6	121.1481	4.454	29	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:3:3:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[5a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6]C[6a]N[5a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5a]C[5a]N[5a])(C[6]N[5a,6]N)(C[6a]C[6a]2)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6]C[6a]N[5a]C[6])(C[6a]C[6a]H){1|N<2>,2|H<1>,2|N<3>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5a]C[5a]N[5a])(C[6]N[5a,6]N)(C[6a]C[6a]2){1|O<1>,2|N<3>,4|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,2|N<3>,3|C<3>}	124.5830	0.000	1	124.5830	0.000	1	124.5830	0.000	1	121.1481	4.454	29	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:3:3:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]2N[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]O)(C[6a]C[6a]2)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]2N[6])(C[6a]C[6a]H){1|O<1>,2|H<1>,7|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]O)(C[6a]C[6a]2)2{5|H<1>,8|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	121.5010	0.000	1	121.5010	0.000	1	121.7200	0.096	2	121.1481	4.454	29	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:3:3:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6a]2N[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]H)(C[6a]C[6a]2)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]H)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6a]2N[6])(C[6a]C[6a]H){2|H<1>,8|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]H)(C[6a]C[6a]2)2{5|H<1>,8|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]H)(H){1|N<3>,5|C<3>}	121.9390	0.000	1	121.9390	0.000	1	121.7200	0.096	2	121.1481	4.454	29	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:3:3:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]2C[6])(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(C[6]O[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]2C[6])(C[6a]C[6a]O){1|C<4>,1|O<1>,1|O<2>,3|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(C[6]O[6]O){1|C<4>,1|O<2>,4|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH){1|C<4>,1|O<2>,4|C<3>}	118.7970	0.000	1	118.7970	0.000	1	118.7970	0.000	1	118.7970	0.000	1	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:3:4:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6a]C[6]C)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]O)(C[6a]C[6a]2)(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6a]C[6]C)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]O)(C[6a]C[6a]2)(CH3){2|C<4>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	121.2450	0.000	1	121.2450	0.000	1	119.8875	3.686	2	120.7442	1.942	10	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:3:4:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(C[6a]C[6a]2)(CHHP)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(C[6a]C[6a]H){1|O<1>,2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(C[6a]C[6a]2)(CHHP){3|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,4|C<3>}	118.5300	0.000	1	118.5300	0.000	1	119.8875	3.686	2	120.7442	1.942	10	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:3:4:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]C)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]N)(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]C)(C[6a]C[6a]H){1|N<2>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]N)(CH3){4|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,4|C<3>}	122.8550	0.000	1	122.8550	0.000	1	121.3347	2.519	3	120.7442	1.942	10	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:3:4:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]C)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]O)(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]C)(C[6a]C[6a]H){1|N<3>,2|H<1>,2|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]O)(CH3){1|O<2>,3|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,4|C<3>}	119.6880	0.000	1	119.6880	0.000	1	121.3347	2.519	3	120.7442	1.942	10	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:3:4:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]C)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]C)(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)(CH3){1|O<2>,3|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|O<2>,3|C<3>}	121.4610	0.000	1	121.4610	0.000	1	121.3347	2.519	3	120.7442	1.942	10	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:3:4:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]2C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(C[6]C[6]CC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]2C[6])(C[6a]C[6a]H){1|C<4>,2|C<2>,4|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(C[6]C[6]CC){1|C<4>,6|C<3>,7|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	122.3790	0.000	1	122.3790	0.000	1	121.4427	0.839	3	120.7442	1.942	10	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:3:4:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]2C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(C[6]C[6]HH)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]2C[6])(C[6a]C[6a]H){3|C<4>,3|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(C[6]C[6]HH){1|N<3>,6|C<3>,7|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	120.5490	0.000	1	120.5490	0.000	1	121.4427	0.839	3	120.7442	1.942	10	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:3:4:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]2C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(C[6]C[6]HN)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]2C[6])(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<4>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(C[6]C[6]HN){1|N<3>,6|C<3>,7|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	121.4000	0.000	1	121.4000	0.000	1	121.4427	0.839	3	120.7442	1.942	10	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:3:4:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]N[6]C)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]H)(CF3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]N[6]C)(C[6a]C[6a]H){1|Cl<1>,1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]H)(CF3){1|N<3>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	119.0430	0.000	1	119.0430	0.000	1	119.6675	0.780	2	120.7442	1.942	10	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:3:4:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]N[6]C)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]S[6]H)(CCHH)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]N[6]C)(C[6a]C[6a]H){1|S<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]S[6]H)(CCHH){1|O<2>,2|O<1>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	120.2920	0.000	1	120.2920	0.000	1	119.6675	0.780	2	120.7442	1.942	10	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:1:	3:2:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5a]-3:C[6]-4:H-1:	C[6,6a]-3:O[6a]-2:O-1:	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[5a]C[6]H)(C[6a]O[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]O[5a])(C[6]C[6]HH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(O[6a]C[6a,6a])(O)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[5a]C[6]H)(C[6a]O[6a]O){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]O[5a])(C[6]C[6]HH)(H){1|O<1>,2|H<1>,3|C<3>,3|O<2>}	C[6a](C[6,6a]C[6,6a]C[6])(O[6a]C[6a,6a])(O){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	118.2900	0.000	1	118.2900	0.000	1	118.2900	0.000	1	117.7847	0.580	19	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:1:	3:2:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:O[6a]-2:O-1:	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]O[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(O[6a]C[6a,6a])(O)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]O[6a]O){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>,3|O<2>}	C[6a](C[6,6a]C[6,6a]C[6])(O[6a]C[6a,6a])(O){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	118.6590	0.487	3	117.9890	0.573	12	117.7566	0.598	18	117.7847	0.580	19	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:1:	3:2:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:O[6a]-2:O-1:	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]O[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(O[6a]C[6a,6a])(O)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]O[6a]O){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|O<2>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(O[6a]C[6a,6a])(O){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	117.3120	0.000	1	117.9890	0.573	12	117.7566	0.598	18	117.7847	0.580	19	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:1:	3:2:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:O[6a]-2:O-1:	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]O[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(O[6a]C[6a,6a])(O)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]O[6a]O){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,2|H<1>,3|C<3>,3|O<2>}	C[6a](C[6,6a]C[6,6a]C[6])(O[6a]C[6a,6a])(O){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	117.0250	0.000	1	117.9890	0.573	12	117.7566	0.598	18	117.7847	0.580	19	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:1:	3:2:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:O[6a]-2:O-1:	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]O[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(O[6a]C[6a,6a])(O)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]O[6a]O){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<1>,2|H<1>,3|O<2>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(O[6a]C[6a,6a])(O){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	118.0707	0.680	6	117.9890	0.573	12	117.7566	0.598	18	117.7847	0.580	19	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:1:	3:2:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:O[6a]-2:O-1:	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]O[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(O[6a]C[6a,6a])(O)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]O[6a]O){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<1>,3|C<3>,3|H<1>,3|O<2>}	C[6a](C[6,6a]C[6,6a]C[6])(O[6a]C[6a,6a])(O){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	117.1300	0.000	1	117.9890	0.573	12	117.7566	0.598	18	117.7847	0.580	19	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:1:	3:2:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:O[6a]-2:O-1:	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]O[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HN)(H)	C[6a](C[6,6a]C[6,6a]C[6])(O[6a]C[6a,6a])(O)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]O[6a]O){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|Cl<1>,1|O<1>,2|O<2>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(O[6a]C[6a,6a])(O){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	116.8630	0.146	2	117.2918	0.384	6	117.7566	0.598	18	117.7847	0.580	19	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:1:	3:2:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:O[6a]-2:O-1:	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]O[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HN)(H)	C[6a](C[6,6a]C[6,6a]C[6])(O[6a]C[6a,6a])(O)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]O[6a]O){1|H<1>,1|N<3>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|O<1>,2|H<1>,2|O<2>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(O[6a]C[6a,6a])(O){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	117.5062	0.670	4	117.2918	0.384	6	117.7566	0.598	18	117.7847	0.580	19	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:1:	3:2:4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:N[6a]-2:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]N[6a]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]N[6a]C){1|C<2>,1|C<4>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|N<2>,1|O<2>,2|H<1>,3|C<3>,3|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])(CH3){1|H<1>,1|S<2>,2|C<3>,2|C<4>}	120.5048	0.383	4	120.5048	0.146	4	120.5048	0.146	4	120.5048	0.146	4	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:1:	3:3:1:	C[5,6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[5a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6,6a]C[5,6a]N[5,6])(C[6]N[5a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[5,6,6a]C[6a])(N[5a]C[5a,6a]N[5a])(C[6]C[6]HH)(H)	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6,6a]C[5,6a]N[5,6])(C[6]N[5a]C[6]H)(C[6a]C[6a]H){1|N<2>,2|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6a]C[5,6,6a]C[6a])(N[5a]C[5a,6a]N[5a])(C[6]C[6]HH)(H){1|N<2>,1|N<3>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|N<3>}	124.7400	0.000	1	124.7400	0.000	1	124.7400	0.000	1	121.3107	3.935	226	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[5a,6]-3:C[6,6a]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5a,6]CH)(C[6a]C[6a]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6a]C[6,6a]C[6a])(CC[6a]HN)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5a,6]CH)(C[6a]C[6a]H){1|S<4>,2|H<1>,3|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6a]C[6,6a]C[6a])(CC[6a]HN)(H){1|H<1>,2|N<3>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	119.5600	0.000	1	119.5600	0.000	1	119.5600	0.000	1	121.3107	3.935	226	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[5a,6]-3:C[6,6a]-3:P-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]C[5a,6]HP)(C[6a]C[6a]H)	C[6](C[5a,6]C[5a,6,6]C[5a])(C[6,6a]C[6,6a]C[6a])(PO3)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]C[5a,6]HP)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6](C[5a,6]C[5a,6,6]C[5a])(C[6,6a]C[6,6a]C[6a])(PO3)(H){1|N<2>,2|C<3>,2|H<1>,2|N<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,1|P<4>,2|C<3>,2|H<1>}	118.0705	0.128	2	118.0705	0.016	2	118.0705	0.016	2	121.3107	3.935	226	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:B[6]-3:Si-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]B[6]SiH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(B[6]C[6,6a]C[6a])(SiC3)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]B[6]SiH)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(B[6]C[6,6a]C[6a])(SiC3)(H){1|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|Si<4>,1|B<3>,2|C<3>,2|H<1>}	119.9030	0.000	1	119.9030	0.000	1	119.9030	0.000	1	121.3107	3.935	226	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]CH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(CHHN)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]CH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(CHHN)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>,2|O<2>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	121.0850	0.000	1	121.0850	0.000	1	121.0850	0.000	1	121.3107	3.935	226	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-3:C[5]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]C[5]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(C[5]C[5]2H)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]C[5]H)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(C[5]C[5]2H)(H){1|H<1>,1|O<2>,3|O<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	121.4620	0.000	1	121.4620	0.000	1	121.4620	0.000	1	121.3107	3.935	226	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6]C[5a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]S[5a])(C[6]C[6]HH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]H)(H)	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6]C[5a]C[6]H)(C[6a]C[6a]H){1|S<2>,4|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]S[5a])(C[6]C[6]HH)(H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	122.6400	0.000	1	122.6400	0.000	1	121.2604	2.479	9	121.3107	3.935	226	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[6]C[5,6]HH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5a]C[6]H)(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[6]C[5,6]HH)(H){2|H<1>,2|N<3>,6|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	120.9810	0.000	1	120.9810	0.000	1	121.2604	2.479	9	121.3107	3.935	226	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]N[5a])(C[6]C[6a]C[6]H)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5a]C[6]H)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]N[5a])(C[6]C[6a]C[6]H)(H){1|C<4>,1|N<3>,3|H<1>,7|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	119.7370	0.000	1	119.7370	0.000	1	121.2604	2.479	9	121.3107	3.935	226	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5a]C[6]H)(C[6a]C[6a]H){2|Cl<1>,1|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(H){1|N<3>,2|H<1>,2|O<2>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.1630	0.000	1	120.1630	0.000	1	121.2604	2.479	9	121.3107	3.935	226	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[6]C[6]HN)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5a]C[6]H)(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[6]C[6]HN)(H){1|C<4>,1|N<3>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	121.3305	0.766	2	121.3305	0.586	2	121.2604	2.479	9	121.3107	3.935	226	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]2)(C[6]C[6]HN)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5a]C[6]H)(C[6a]C[6a]H){2|Br<1>,1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]2)(C[6]C[6]HN)(H){1|C<4>,1|N<2>,1|N<3>,2|C<3>,2|O<2>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	118.9210	0.000	1	118.9210	0.000	1	121.2604	2.479	9	121.3107	3.935	226	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]O[5a])(C[6]C[6]CH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5a]C[6]H)(C[6a]C[6a]H){1|O<2>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]O[5a])(C[6]C[6]CH)(H){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	123.9390	0.000	1	123.9390	0.000	1	121.2604	2.479	9	121.3107	3.935	226	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]S[5a])(C[6]C[6]CC)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5a]C[6]H)(C[6a]C[6a]H){1|O<2>,1|S<2>,2|C<4>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]S[5a])(C[6]C[6]CC)(H){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	122.3020	0.000	1	122.3020	0.000	1	121.2604	2.479	9	121.3107	3.935	226	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]CH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(CC[6a]HH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]CH)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(CC[6a]HH)(H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	121.7098	0.776	5	121.7098	0.603	5	121.8251	0.378	11	121.3107	3.935	226	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]CH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6])(CC[6a]HH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]CH)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6])(CC[6a]HH)(H){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	121.2550	0.000	1	122.0378	0.210	5	121.8251	0.378	11	121.3107	3.935	226	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]CH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6])(CC[6a]HH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]CH)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6])(CC[6a]HH)(H){1|H<1>,2|C<4>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	122.2335	0.159	4	122.0378	0.210	5	121.8251	0.378	11	121.3107	3.935	226	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]CH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(CCHH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]CH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(CCHH)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	121.3380	0.000	1	121.3380	0.000	1	121.8251	0.378	11	121.3107	3.935	226	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:H-1:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6,6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CCHH)(H)	C[6a](C[6,6a]C[6,6a]C[6])2(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6,6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CCHH)(H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])2(H){2|H<1>,3|C<3>,4|C<4>}	123.4340	0.530	16	122.7289	0.863	28	122.7289	0.863	28	121.3107	3.935	226	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:H-1:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6,6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CCHH)(H)	C[6a](C[6,6a]C[6,6a]C[6])2(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6,6a]H){1|H<1>,3|C<3>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])2(CCHH)(H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])2(H){2|H<1>,3|C<3>,4|C<4>}	121.7887	0.217	12	122.7289	0.863	28	122.7289	0.863	28	121.3107	3.935	226	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(CC[6a]HH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(CC[6a]HH)(H){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	121.9670	1.435	4	121.9670	2.058	4	121.4219	4.932	46	121.3107	3.935	226	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CCHH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CCHH)(H){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	118.6770	0.000	1	122.6018	4.777	6	121.4219	4.932	46	121.3107	3.935	226	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CCHH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])2(CCHH)(H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	123.8363	0.674	4	122.6018	4.777	6	121.4219	4.932	46	121.3107	3.935	226	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CCHH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CCHH)(H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	121.5890	0.000	1	122.6018	4.777	6	121.4219	4.932	46	121.3107	3.935	226	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CCHH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H){1|C<4>,1|H<1>,2|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CCHH)(H){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	117.3020	0.004	2	117.3020	0.000	2	121.4219	4.932	46	121.3107	3.935	226	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CC[5]CH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CC[5]CH)(H){2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	120.8260	0.334	2	120.8260	0.111	2	121.4219	4.932	46	121.3107	3.935	226	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CC[6]HH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H){1|O<1>,2|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CC[6]HH)(H){1|H<1>,1|O<2>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<4>,2|H<1>,3|C<3>}	117.7730	0.000	1	117.7730	0.000	1	121.4219	4.932	46	121.3107	3.935	226	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CC[6a]HH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])2(CC[6a]HH)(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	122.9300	0.000	1	123.2353	0.586	6	121.4219	4.932	46	121.3107	3.935	226	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CC[6a]HH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])2(CC[6a]HH)(H){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	122.7987	0.672	3	123.2353	0.586	6	121.4219	4.932	46	121.3107	3.935	226	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CC[6a]HH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CC[6a]HH)(H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	124.0430	0.243	2	123.2353	0.586	6	121.4219	4.932	46	121.3107	3.935	226	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CC[6a]HH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CC[6a]HH)(H){1|H<1>,1|O<2>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	118.7750	0.000	1	118.7750	0.000	1	121.4219	4.932	46	121.3107	3.935	226	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CF3)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])2(CF3)(H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	119.5237	0.265	10	119.5237	0.070	10	121.4219	4.932	46	121.3107	3.935	226	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CN3)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CN3)(H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	118.9950	0.308	2	118.9950	0.095	2	121.4219	4.932	46	121.3107	3.935	226	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]I[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CCHH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6,6a](C[6,6a]C[6a]I[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CCHH)(H){1|I<2>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|H<1>,1|I<2>,2|C<3>,2|C<4>}	124.2915	1.140	4	124.2915	1.300	4	121.4219	4.932	46	121.3107	3.935	226	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CF3)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H){1|H<1>,2|C<4>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CF3)(H){1|H<1>,1|O<1>,2|C<3>,3|N<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	121.2920	0.000	1	121.2920	0.000	1	121.4219	4.932	46	121.3107	3.935	226	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CCCH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CCCH)(H){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.9045	0.039	2	122.2382	2.380	4	121.4219	4.932	46	121.3107	3.935	226	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CCCH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CCCH)(H){1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	123.5720	0.156	2	122.2382	2.380	4	121.4219	4.932	46	121.3107	3.935	226	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]N[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CC[6a]HH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]N[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CC[6a]HH)(H){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	123.0253	0.916	3	123.0253	0.839	3	121.4219	4.932	46	121.3107	3.935	226	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:H-1:	C[6,6a]-3:N[6a]-3:O-1:	C[6,6a](C[6,6a]N[6a]N[6])(C[6]C[6,6a]CH)(C[6a]N[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])2(CF3)(H)	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]C)(O)	C[6,6a](C[6,6a]N[6a]N[6])(C[6]C[6,6a]CH)(C[6a]N[6a]O){1|H<1>,2|C<4>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CF3)(H){1|H<1>,1|O<1>,2|C<3>,3|N<3>}	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]C)(O){1|C<3>,1|C<4>,1|H<1>,1|O<1>,2|N<3>}	119.9170	0.000	1	119.9170	0.000	1	119.9170	0.000	1	121.3107	3.935	226	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[6,6a]C[6]H)(C[6a]C[6a]H){1|C<4>,3|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(H){1|C<4>,2|H<1>,8|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	122.4415	0.279	4	122.4415	0.078	4	122.9162	0.700	6	121.3107	3.935	226	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]C[6]H)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[6,6a]C[6]H)(C[6a]C[6a]H){1|C<4>,3|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]C[6]H)(H){1|C<4>,3|H<1>,7|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	123.8655	0.750	2	123.8655	0.563	2	122.9162	0.700	6	121.3107	3.935	226	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:Si-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]SiH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(SiC3)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]SiH)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(SiC3)(H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|Si<4>,1|C<4>,2|C<3>,2|H<1>}	118.8240	0.692	2	118.8240	0.478	2	121.3418	8.642	4	121.3107	3.935	226	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:Si-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]SiH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(SiC[6a]HO)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]SiH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(SiC[6a]HO)(H){1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|Si<4>,1|O<2>,2|C<3>,2|H<1>}	123.8595	0.305	2	123.8595	0.093	2	121.3418	8.642	4	121.3107	3.935	226	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[5,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[5,6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[5,6a]H){1|C<4>,2|O<2>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|C<4>,1|P<4>,4|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	116.4110	0.000	1	117.9475	4.722	2	120.7896	7.909	13	121.3107	3.935	226	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[5,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[5,6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[5,6a]H){1|O<2>,3|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CH)(H){3|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	119.4840	0.000	1	117.9475	4.722	2	120.7896	7.909	13	121.3107	3.935	226	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[5,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[5,6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HS)(H)	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[5,6a]H){1|C<4>,1|O<2>,1|S<4>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HS)(H){1|C<4>,4|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	117.7300	0.000	2	117.7100	0.001	3	120.7896	7.909	13	121.3107	3.935	226	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[5,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[5,6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HS)(H)	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[5,6a]H){1|O<2>,1|S<4>,2|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HS)(H){1|C<4>,4|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	117.6700	0.000	1	117.7100	0.001	3	120.7896	7.909	13	121.3107	3.935	226	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[5,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[5,6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[5,6a]H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H){1|H<1>,2|C<3>,2|C<4>,2|O<2>}	121.5920	0.000	1	123.1205	4.673	2	120.7896	7.909	13	121.3107	3.935	226	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[5,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[5,6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[5,6a]H){1|O<2>,2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H){1|H<1>,2|C<3>,2|C<4>,2|O<2>}	124.6490	0.000	1	123.1205	4.673	2	120.7896	7.909	13	121.3107	3.935	226	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[5,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[5,6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CN)(H)	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[5,6a]H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CN)(H){1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H){1|H<1>,2|C<3>,2|C<4>,2|O<2>}	123.4235	1.105	2	123.4235	1.221	2	120.7896	7.909	13	121.3107	3.935	226	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[5,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[5,6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[5,6a]H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<2>,4|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H){1|H<1>,2|C<3>,2|C<4>,2|O<2>}	119.5120	0.000	1	122.0380	2.902	4	120.7896	7.909	13	121.3107	3.935	226	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[5,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[5,6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[5,6a]H){1|O<2>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<2>,3|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H){1|H<1>,2|C<3>,2|C<4>,2|O<2>}	122.8800	0.314	3	122.0380	2.902	4	120.7896	7.909	13	121.3107	3.935	226	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:Cl-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]Cl)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(Cl)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]Cl){2|Cl<1>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|Cl<1>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(Cl){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	121.8060	0.000	1	121.8060	0.000	1	121.8060	0.000	1	121.3107	3.935	226	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CN)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]H)(H)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<2>,1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CN)(H){3|H<1>,3|O<2>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]H)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	120.9410	0.000	1	121.0260	0.014	2	121.1620	3.390	74	121.3107	3.935	226	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CN)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]H)(H)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CN)(H){1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]H)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	121.1110	0.000	1	121.0260	0.014	2	121.1620	3.390	74	121.3107	3.935	226	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]H)(H)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){2|O<2>,3|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]H)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	120.9740	0.000	1	120.6340	0.231	2	121.1620	3.390	74	121.3107	3.935	226	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]H)(H)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){2|O<2>,4|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]H)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	120.2940	0.000	1	120.6340	0.231	2	121.1620	3.390	74	121.3107	3.935	226	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<4>,1|N<4>,3|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,4|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	119.4875	0.999	2	119.8626	3.127	10	121.1620	3.390	74	121.3107	3.935	226	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<2>,3|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	118.7680	0.000	1	119.8626	3.127	10	121.1620	3.390	74	121.3107	3.935	226	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){5|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	122.2390	0.000	1	119.8626	3.127	10	121.1620	3.390	74	121.3107	3.935	226	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<4>,4|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<2>,1|C<4>,4|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	118.2730	0.342	2	119.8626	3.127	10	121.1620	3.390	74	121.3107	3.935	226	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<4>,4|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,4|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	118.7175	0.169	2	119.8626	3.127	10	121.1620	3.390	74	121.3107	3.935	226	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|Cl<1>,4|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){3|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	122.2940	0.000	1	119.8626	3.127	10	121.1620	3.390	74	121.3107	3.935	226	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|O<2>,4|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){4|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	122.3690	0.000	1	119.8626	3.127	10	121.1620	3.390	74	121.3107	3.935	226	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){5|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<4>,2|H<1>,3|C<3>}	121.5800	0.000	1	121.5800	0.000	1	121.1620	3.390	74	121.3107	3.935	226	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]N[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,6|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,4|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]N[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	121.3950	0.000	1	121.3950	0.000	1	121.1620	3.390	74	121.3107	3.935	226	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HS)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<4>,1|S<4>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HS)(H){5|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	117.3860	0.396	3	117.3860	0.157	3	121.1620	3.390	74	121.3107	3.935	226	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HS)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|O<2>,1|S<4>,2|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HS)(H){1|C<4>,4|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	116.5100	0.000	1	117.0600	0.605	2	121.1620	3.390	74	121.3107	3.935	226	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HS)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|S<4>,2|C<4>,2|H<1>,2|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HS)(H){1|C<4>,4|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){2|C<3>,2|C<4>,2|H<1>}	117.6100	0.000	1	117.0600	0.605	2	121.1620	3.390	74	121.3107	3.935	226	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]CH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]CH)(H){1|C<4>,3|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	123.1775	0.203	2	121.6504	1.994	5	121.1620	3.390	74	121.3107	3.935	226	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]CH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]CH)(H){1|C<4>,3|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	120.4840	0.000	1	121.6504	1.994	5	121.1620	3.390	74	121.3107	3.935	226	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]CH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]CH)(H){2|C<4>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	120.7065	0.356	2	121.6504	1.994	5	121.1620	3.390	74	121.3107	3.935	226	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]HH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|N<3>,1|O<1>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]HH)(H){1|S<4>,3|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	121.6370	2.236	2	121.1140	2.019	5	121.1620	3.390	74	121.3107	3.935	226	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]HH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|N<3>,1|O<1>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]HH)(H){4|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	121.8330	0.000	1	121.1140	2.019	5	121.1620	3.390	74	121.3107	3.935	226	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]HH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|N<3>,4|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]HH)(H){1|C<4>,1|S<4>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	120.2315	0.674	2	121.1140	2.019	5	121.1620	3.390	74	121.3107	3.935	226	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]O[6]CH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<4>,2|O<2>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]O[6]CH)(H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	120.7690	0.000	1	120.5415	0.104	2	121.1620	3.390	74	121.3107	3.935	226	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]O[6]CH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|O<2>,4|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]O[6]CH)(H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	120.3140	0.000	1	120.5415	0.104	2	121.1620	3.390	74	121.3107	3.935	226	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]O[6]HO)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){3|C<3>,3|O<2>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]O[6]HO)(H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	120.6120	0.000	1	120.4035	0.087	2	121.1620	3.390	74	121.3107	3.935	226	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]O[6]HO)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){3|C<3>,3|O<2>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]O[6]HO)(H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	120.1950	0.000	1	120.4035	0.087	2	121.1620	3.390	74	121.3107	3.935	226	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|Br<1>,2|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|N<3>,4|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	122.0610	0.000	1	122.0610	0.000	1	121.1620	3.390	74	121.3107	3.935	226	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	122.3640	0.000	1	122.3640	0.000	1	121.1620	3.390	74	121.3107	3.935	226	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]FF)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<4>,2|F<1>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]FF)(H){1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	121.3920	0.000	1	121.3920	0.000	1	121.1620	3.390	74	121.3107	3.935	226	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<3>,3|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	121.3760	0.000	1	121.0790	0.176	2	121.1620	3.390	74	121.3107	3.935	226	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<3>,4|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	120.7820	0.000	1	121.0790	0.176	2	121.1620	3.390	74	121.3107	3.935	226	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<4>,3|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<3>,4|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,1|H<1>,1|N<3>,2|C<3>}	121.5360	0.000	1	121.6568	0.304	5	121.1620	3.390	74	121.3107	3.935	226	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<4>,3|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<3>,4|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	121.7900	0.732	3	121.6568	0.304	5	121.1620	3.390	74	121.3107	3.935	226	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<3>,4|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	121.3780	0.000	1	121.6568	0.304	5	121.1620	3.390	74	121.3107	3.935	226	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<3>,3|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	121.8390	0.000	1	120.9836	0.320	5	121.1620	3.390	74	121.3107	3.935	226	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<3>,1|O<2>,3|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	120.8740	0.343	3	120.9836	0.320	5	121.1620	3.390	74	121.3107	3.935	226	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<3>,4|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	120.4570	0.000	1	120.9836	0.320	5	121.1620	3.390	74	121.3107	3.935	226	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HO)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HO)(H){1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	123.2890	0.000	1	123.2890	0.000	1	121.1620	3.390	74	121.3107	3.935	226	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CC)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CC)(H){1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	123.2080	0.000	1	123.2080	0.000	1	121.1620	3.390	74	121.3107	3.935	226	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CN)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CN)(H){1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	124.1570	0.000	1	124.1570	0.000	1	121.1620	3.390	74	121.3107	3.935	226	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	124.6210	0.000	1	123.3030	3.474	2	121.1620	3.390	74	121.3107	3.935	226	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){2|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<1>,2|H<1>,2|O<2>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	121.9850	0.000	1	123.3030	3.474	2	121.1620	3.390	74	121.3107	3.935	226	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<2>,1|S<2>,4|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	121.1340	0.000	1	122.9969	1.704	12	121.1620	3.390	74	121.3107	3.935	226	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<2>,4|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	122.3478	0.668	4	122.9969	1.704	12	121.1620	3.390	74	121.3107	3.935	226	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){2|H<1>,3|O<2>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	122.5850	0.000	1	122.9969	1.704	12	121.1620	3.390	74	121.3107	3.935	226	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){2|H<1>,3|O<2>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	121.5410	0.000	1	122.9969	1.704	12	121.1620	3.390	74	121.3107	3.935	226	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){4|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	124.9200	0.000	1	122.9969	1.704	12	121.1620	3.390	74	121.3107	3.935	226	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){4|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	123.5850	0.013	2	122.9969	1.704	12	121.1620	3.390	74	121.3107	3.935	226	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){4|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<2>,3|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	124.6110	0.604	2	122.9969	1.704	12	121.1620	3.390	74	121.3107	3.935	226	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){2|O<2>,3|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	122.4310	0.000	1	122.4310	0.000	1	121.1620	3.390	74	121.3107	3.935	226	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]S[6]HH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|S<4>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]S[6]HH)(H){1|O<2>,2|O<1>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.7770	0.675	4	120.7770	0.456	4	121.1620	3.390	74	121.3107	3.935	226	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|S<2>,4|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|C<4>,1|S<2>,2|C<3>,2|H<1>}	119.8430	0.000	1	119.8430	0.000	1	121.1620	3.390	74	121.3107	3.935	226	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]CH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|O<1>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]CH)(H){1|S<4>,4|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	119.2980	0.000	1	119.2980	0.000	1	121.1620	3.390	74	121.3107	3.935	226	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:N[6a]-3:O-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]N[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]2)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]N[6a]O){1|C<2>,3|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]2)(O){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	117.8420	0.000	1	117.8420	0.000	1	118.6293	1.069	3	121.3107	3.935	226	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:N[6a]-3:O-1:	C[6,6a](C[6,6a]N[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]N[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HN)(H)	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]H)(O)	C[6,6a](C[6,6a]N[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]N[6a]O){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|N<2>,1|O<1>,2|N<3>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|H<1>,1|N<2>,2|N<3>}	119.8000	0.000	1	119.8000	0.000	1	118.6293	1.069	3	121.3107	3.935	226	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:N[6a]-3:O-1:	C[6,6a](C[6,6a]N[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]N[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HN)(H)	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]C)(O)	C[6,6a](C[6,6a]N[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]N[6a]O){1|H<1>,1|N<3>,3|C<3>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|Cl<1>,1|O<1>,1|O<2>,2|C<3>,2|N<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]C)(O){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>}	118.2460	0.000	1	118.2460	0.000	1	118.6293	1.069	3	121.3107	3.935	226	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6a,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]O[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]C[6a,6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(O)	C[6,6a](C[6,6a]O[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]C[6a,6a]O){2|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<3>,1|O<2>,2|H<1>,2|O<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(O){1|C<4>,1|N<3>,1|O<2>,2|H<1>,3|C<3>}	121.4820	0.000	1	121.4820	0.000	1	117.8643	9.902	3	121.3107	3.935	226	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6a,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]S[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]C[6a,6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(O)	C[6,6a](C[6,6a]S[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]C[6a,6a]O){2|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|Cl<1>,1|H<1>,1|N<3>,1|S<2>,2|O<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(O){1|C<4>,1|N<3>,1|S<2>,2|H<1>,3|C<3>}	116.3500	0.000	1	116.3500	0.000	1	117.8643	9.902	3	121.3107	3.935	226	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6a,6a]-3:C[6,6a]-3:O-1:	C[6,6a](C[6,6a]S[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]C[6a,6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HN)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(O)	C[6,6a](C[6,6a]S[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]C[6a,6a]O){1|H<1>,1|N<3>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|F<1>,1|H<1>,1|N<3>,1|S<2>,2|O<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(O){1|C<4>,1|N<3>,1|S<2>,2|H<1>,3|C<3>}	115.7610	0.000	1	115.7610	0.000	1	117.8643	9.902	3	121.3107	3.935	226	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]HH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H){1|C<4>,3|C<3>,6|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]HH)(H){1|C<4>,4|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|N<4>,2|C<3>,2|H<1>}	119.5505	0.158	2	119.5505	0.025	2	119.7127	0.091	3	121.3107	3.935	226	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]HH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H){1|Br<1>,1|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]HH)(H){1|N<3>,4|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H){1|N<3>,1|N<4>,2|C<3>,2|H<1>}	120.0370	0.000	1	120.0370	0.000	1	119.7127	0.091	3	121.3107	3.935	226	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[5,6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5,6]CH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]N[5,6]C[5])(CCHH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5,6]CH)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]N[5,6]C[5])(CCHH)(H){1|H<1>,3|C<4>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	122.6660	0.000	1	122.6660	0.000	1	120.7347	2.029	4	121.3107	3.935	226	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[5,6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[5,6]CH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(CCHH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[5,6]CH)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(CCHH)(H){1|N<2>,1|S<2>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	120.9290	0.000	1	120.9290	0.000	1	120.7347	2.029	4	121.3107	3.935	226	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[5,6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[5,6]CH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]C[5,6])(CCHH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[5,6]CH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]C[5,6])(CCHH)(H){1|H<1>,1|N<2>,1|S<2>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	119.6720	0.243	2	119.6720	0.059	2	120.7347	2.029	4	121.3107	3.935	226	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[5]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]N[5]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5]C[5]P[5])(C[6]C[6]HH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]N[5]H)(C[6a]C[6a]H){1|C<4>,1|P<2>,2|C<3>,6|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5]C[5]P[5])(C[6]C[6]HH)(H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	119.1450	0.629	2	119.1450	0.396	2	119.1450	0.396	2	121.3107	3.935	226	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[5a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5a]C[6]H)(C[6a]C[6a]H){1|C<4>,3|C<3>,6|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(H){1|C<4>,2|N<2>,3|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	119.1985	0.169	2	119.1985	0.029	2	120.2582	2.235	6	121.3107	3.935	226	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[5a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5a]C[5a]N[5a])(C[6]C[6]ClH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5a]C[6]H)(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|N<2>,2|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5a]C[5a]N[5a])(C[6]C[6]ClH)(H){1|C<4>,1|N<2>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	118.6080	0.000	1	118.6080	0.000	1	120.2582	2.235	6	121.3107	3.935	226	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[5a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5a]C[5a]N[5a])(C[6]C[6a]C[6]H)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5a]C[6]H)(C[6a]C[6a]H){1|N<3>,4|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5a]C[5a]N[5a])(C[6]C[6a]C[6]H)(H){1|N<3>,1|O<1>,3|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	121.8860	0.000	1	121.8860	0.000	1	120.2582	2.235	6	121.3107	3.935	226	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[5a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5a]C[5a,6a]N[5a])(C[6]C[6]CN)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5a]C[6]H)(C[6a]C[6a]H){1|Br<1>,1|H<1>,1|N<2>,1|N<3>,2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5a]C[5a,6a]N[5a])(C[6]C[6]CN)(H){1|C<4>,1|N<2>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	120.5440	0.000	1	120.5440	0.000	1	120.2582	2.235	6	121.3107	3.935	226	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[5a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6]N[5a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5a]C[5a,6a]2)(C[6]C[5a,6]HH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6]N[5a]C[6]H)(C[6a]C[6a]H){1|N<2>,1|O<2>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5a]C[5a,6a]2)(C[6]C[5a,6]HH)(H){1|H<1>,1|N<3>,7|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,2|H<1>,2|N<3>}	122.1140	0.000	1	122.1140	0.000	1	120.2582	2.235	6	121.3107	3.935	226	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[6,6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]N[6,6]CH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(CCHH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]N[6,6]CH)(C[6a]C[6a]H){1|H<1>,2|C<3>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(CCHH)(H){1|N<3>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,2|H<1>,2|N<3>}	122.0300	0.096	3	122.0300	0.009	3	122.0300	0.009	3	121.3107	3.935	226	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[6,6]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]P[6,6])(C[6]C[6]HH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[6,6]C[6]H)(C[6a]C[6a]H){1|C<3>,1|P<3>,2|C<4>,6|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]P[6,6])(C[6]C[6]HH)(H){1|C<4>,2|O<2>,4|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	121.1600	0.000	1	121.1600	0.000	1	121.1600	0.000	1	121.3107	3.935	226	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]N[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[6]C[6]2H)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]N[6]H)(C[6a]C[6a]H){2|C<4>,3|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[6]C[6]2H)(H){1|O<1>,1|S<2>,2|C<4>,4|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	120.5900	0.000	1	120.5900	0.000	1	120.5900	0.000	1	121.3107	3.935	226	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:1:	3:3:2:	C[6,6a,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]O)(OH)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]O){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<2>,4|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]O)(OH){1|C<4>,2|H<1>,3|C<3>}	119.9570	0.792	2	119.9570	0.627	2	119.9570	0.627	2	120.5847	2.644	27	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])2(CCHH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]O){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CCHH)(H){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	118.4120	0.683	2	118.5037	0.258	3	119.0760	0.921	5	120.5847	2.644	27	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])2(CCHH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]O){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CCHH)(H){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC){2|C<3>,2|C<4>,2|H<1>}	118.6870	0.000	1	118.5037	0.258	3	119.0760	0.921	5	120.5847	2.644	27	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])2(CC[6]HH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]O){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CC[6]HH)(H){1|H<1>,1|O<2>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<4>,2|H<1>,3|C<3>}	120.5310	0.000	1	120.5310	0.000	1	119.0760	0.921	5	120.5847	2.644	27	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])2(CC[6a]HH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]O){1|O<1>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CC[6a]HH)(H){1|H<1>,1|O<2>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	119.3380	0.000	1	119.3380	0.000	1	119.0760	0.921	5	120.5847	2.644	27	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]O){1|Br<1>,1|O<2>,2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|O<2>,2|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC){1|C<4>,2|H<1>,3|C<3>}	119.7200	0.000	1	119.7200	0.000	1	121.0247	2.548	20	120.5847	2.644	27	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]O){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<2>,2|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	119.5400	0.000	1	119.5400	0.000	1	121.0247	2.548	20	120.5847	2.644	27	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]O[6]CH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]O){1|C<4>,1|O<2>,3|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]O[6]CH)(H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){2|C<3>,2|C<4>,2|H<1>}	120.7705	0.556	2	120.7705	0.310	2	121.0247	2.548	20	120.5847	2.644	27	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]O[6]CH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]O){1|C<4>,2|O<2>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]O[6]CH)(H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	120.0900	0.000	1	120.0900	0.000	1	121.0247	2.548	20	120.5847	2.644	27	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]O[6]HO)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]O){2|O<2>,3|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]O[6]HO)(H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){2|C<3>,2|C<4>,2|H<1>}	119.8300	0.000	1	119.8300	0.000	1	121.0247	2.548	20	120.5847	2.644	27	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HS)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]O){1|C<4>,1|O<2>,1|S<2>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HS)(H){1|N<3>,1|O<2>,4|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	117.9760	0.359	2	117.9760	0.129	2	121.0247	2.548	20	120.5847	2.644	27	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CC)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]O){3|C<4>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CC)(H){1|C<4>,2|O<2>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OH){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	119.6030	0.000	1	119.6030	0.000	1	121.0247	2.548	20	120.5847	2.644	27	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CC)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]O){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CC)(H){1|O<1>,2|H<1>,2|O<2>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	122.9770	0.000	1	122.9770	0.000	1	121.0247	2.548	20	120.5847	2.644	27	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]O){1|H<1>,2|C<4>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CH)(H){2|C<4>,2|H<1>,2|O<2>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OH){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	122.2847	0.761	3	122.2847	0.580	3	121.0247	2.548	20	120.5847	2.644	27	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]O){1|C<4>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|O<1>,2|H<1>,2|O<2>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	122.7700	0.399	2	122.3213	0.326	4	121.0247	2.548	20	120.5847	2.644	27	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]O){3|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|O<1>,2|H<1>,2|O<2>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	121.8725	0.121	2	122.3213	0.326	4	121.0247	2.548	20	120.5847	2.644	27	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CN)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]O){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CN)(H){2|H<1>,2|O<2>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	121.0300	0.000	1	121.0300	0.000	1	121.0247	2.548	20	120.5847	2.644	27	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]O){2|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|H<1>,4|O<2>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	121.1600	0.000	1	122.0360	1.535	2	121.0247	2.548	20	120.5847	2.644	27	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]O){4|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<1>,2|H<1>,2|O<2>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	122.9120	0.000	1	122.0360	1.535	2	121.0247	2.548	20	120.5847	2.644	27	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:N-3:	C[6,6a](C[6,6a]N[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]N)	C[6](C[6,6a]C[6,6a]C[6a])2(CC[6a]HH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NCC)	C[6,6a](C[6,6a]N[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]N){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CC[6a]HH)(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NCC){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	125.2770	0.000	1	125.2770	0.000	1	125.2770	0.000	1	122.9390	2.495	4	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:C-3:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CNO)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]C){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|F<1>,1|O<2>,3|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CNO){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	122.0180	0.000	1	122.0180	0.000	1	122.0180	0.000	1	122.9390	2.495	4	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]2){1|O<2>,4|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){3|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|O<2>,3|H<1>,5|C<3>}	122.2305	0.409	2	122.2305	0.168	2	122.2305	0.168	2	122.9390	2.495	4	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:1:	3:3:4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CH)(C[6a]C[6a]C)	C[6](C[6,6a]C[6,6a]C[6a])2(CCCH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CH3)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CH)(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CCCH)(H){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CH3){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	122.2030	0.074	2	122.2030	0.005	2	122.2030	0.005	2	122.0673	1.553	6	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:1:	3:3:4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]C){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,4|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CH3){1|H<1>,2|C<4>,3|C<3>}	120.8900	0.000	1	120.6830	0.086	2	121.9995	2.568	4	122.0673	1.553	6	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:1:	3:3:4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]C){1|C<4>,4|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|H<1>,1|O<2>,6|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CH3){1|C<4>,2|H<1>,3|C<3>}	120.4760	0.000	1	120.6830	0.086	2	121.9995	2.568	4	122.0673	1.553	6	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:1:	3:3:4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CH3)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]C){4|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CH3){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	123.9020	0.000	1	123.9020	0.000	1	121.9995	2.568	4	122.0673	1.553	6	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:1:	3:3:4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HN)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CH3)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]C){1|N<3>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CH3){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	122.7300	0.000	1	122.7300	0.000	1	121.9995	2.568	4	122.0673	1.553	6	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:2:	3:2:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-3:C-4:O-2:	C[6,6a]-3:N[6a]-2:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]CO)(C[6a]N[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6])(CC[6]HH)(OH)	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]N[6a])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]CO)(C[6a]N[6a]H){1|N<2>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6])(CC[6]HH)(OH){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]N[6a])(H){1|C<4>,1|O<2>,3|C<3>}	121.6330	0.000	1	121.6330	0.000	1	121.6330	0.000	1	121.6330	0.000	1	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:2:	3:2:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:O-2:	C[6,6a]-3:N[6a]-2:O-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CO)(C[6a]N[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])2(CCCH)(OH)	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CO)(C[6a]N[6a]O){1|H<1>,2|C<4>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CCCH)(OH){1|C<4>,2|C<3>,2|N<2>,2|O<2>}	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])(OC){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	120.5810	0.412	4	120.5810	0.170	4	120.5810	0.170	4	120.5810	0.170	4	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:2:	3:3:1:	C[5,6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6,6a]C[5,6a]N[5,6])(C[6]C[6,6a]CO)(C[6a]C[6a]H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CF3)(OH)	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6,6a]C[5,6a]N[5,6])(C[6]C[6,6a]CO)(C[6a]C[6a]H){1|H<1>,2|C<4>,3|C<3>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CF3)(OH){1|H<1>,1|O<1>,2|C<3>,3|N<3>}	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	123.4410	0.000	1	123.4410	0.000	1	123.4410	0.000	1	119.2382	3.151	27	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:2:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6]C[6,6a]CO)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)(OH)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[5a,6a]H)(H)	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6]C[6,6a]CO)(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)(OH){2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[5a,6a]H)(H){1|C<4>,1|N<2>,1|O<2>,3|C<3>}	119.0470	0.000	1	119.0470	0.000	1	119.4130	2.688	19	119.2382	3.151	27	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:2:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CO)(C[6a]C[6a]H)	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(CCHH)(OH)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CO)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(CCHH)(OH){1|H<1>,1|O<2>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	118.9640	0.000	1	118.9640	0.000	1	119.4130	2.688	19	119.2382	3.151	27	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:2:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CO)(C[6a]C[6a]H)	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(CH3)(OH)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CO)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(CH3)(OH){1|H<1>,1|N<2>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	119.8300	0.800	4	119.4442	0.523	8	119.4130	2.688	19	119.2382	3.151	27	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:2:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CO)(C[6a]C[6a]H)	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(CH3)(OH)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CO)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(CH3)(OH){1|H<1>,1|N<3>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	119.0585	0.428	4	119.4442	0.523	8	119.4130	2.688	19	119.2382	3.151	27	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:2:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CO)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CCHH)(OH)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CO)(C[6a]C[6a]H){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CCHH)(OH){2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	118.8510	0.636	2	118.0865	0.744	6	119.4130	2.688	19	119.2382	3.151	27	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:2:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CO)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CCHH)(OH)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CO)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CCHH)(OH){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	117.7043	0.721	4	118.0865	0.744	6	119.4130	2.688	19	119.2382	3.151	27	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:2:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CO)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CC[6a]HH)(OH)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CO)(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CC[6a]HH)(OH){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){2|C<3>,2|C<4>,2|O<2>}	123.2195	0.548	2	123.2195	0.300	2	119.4130	2.688	19	119.2382	3.151	27	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:2:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CO)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)(OH)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CO)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)(OH){2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	120.3240	0.000	1	120.3240	0.000	1	119.4130	2.688	19	119.2382	3.151	27	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:2:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:O-2:	C[6,6a]-3:N[6a]-3:O-1:	C[6,6a](C[6,6a]N[5,6]N[6a])(C[6]C[6,6a]CO)(C[6a]N[6a]O)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CF3)(OH)	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]C)(O)	C[6,6a](C[6,6a]N[5,6]N[6a])(C[6]C[6,6a]CO)(C[6a]N[6a]O){3|C<3>,3|C<4>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CF3)(OH){1|H<1>,1|O<1>,2|C<3>,3|N<3>}	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]C)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|N<3>}	117.8700	0.000	1	117.8700	0.000	1	117.8700	0.000	1	119.2382	3.151	27	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:2:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CC)(OH)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]O)(C[6a]C[6a]H){1|H<1>,1|O<2>,2|C<4>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CC)(OH){5|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	117.2800	0.000	1	117.2800	0.000	1	118.7930	1.750	3	119.2382	3.151	27	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:2:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]HH)(OH)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]O)(C[6a]C[6a]H){1|N<3>,3|C<3>,6|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]HH)(OH){2|C<4>,2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	119.7320	0.000	1	119.7320	0.000	1	118.7930	1.750	3	119.2382	3.151	27	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:2:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6a]C[6]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]CH)(OH)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6a]C[6]O)(C[6a]C[6a]H){1|N<3>,2|C<4>,2|H<1>,2|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]CH)(OH){1|C<4>,1|S<4>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|O<2>,1|S<4>,2|C<3>}	119.3670	0.000	1	119.3670	0.000	1	118.7930	1.750	3	119.2382	3.151	27	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:2:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[5a,6]-3:C-4:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5a,6]CO)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6]N[5a])(CC[6a]HH)(OH)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5a,6]CO)(C[6a]C[6a]H){1|N<2>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6]N[5a])(CC[6a]HH)(OH){1|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	117.1450	0.000	1	117.1450	0.000	1	117.6313	0.787	3	119.2382	3.151	27	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:2:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[5a,6]-3:C-4:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5a,6]CO)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6]N[5a])(CH3)(OH)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5a,6]CO)(C[6a]C[6a]H){1|N<2>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6]N[5a])(CH3)(OH){1|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	117.0940	0.000	1	117.8745	1.218	2	117.6313	0.787	3	119.2382	3.151	27	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:2:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[5a,6]-3:C-4:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5a,6]CO)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6]N[5a])(CH3)(OH)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5a,6]CO)(C[6a]C[6a]H){2|C<3>,2|H<1>,2|N<2>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6]N[5a])(CH3)(OH){1|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	118.6550	0.000	1	117.8745	1.218	2	117.6313	0.787	3	119.2382	3.151	27	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:3:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:C-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CC3)(COO)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CC3)(COO){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	119.6790	0.168	2	119.6790	0.028	2	118.2869	0.467	12	118.6769	0.886	16	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:3:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:C-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CCHH)(COO)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CCHH)(COO){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	118.0070	0.255	2	118.0070	0.065	2	118.2869	0.467	12	118.6769	0.886	16	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:3:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:C-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CC[6a]HH)(COO)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CC[6a]HH)(COO){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	118.0435	0.308	4	118.0435	0.095	4	118.2869	0.467	12	118.6769	0.886	16	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:3:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:C-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)(COO)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)(COO){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	117.9742	0.184	4	117.9742	0.034	4	118.2869	0.467	12	118.6769	0.886	16	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:3:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:N-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CN)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CCHH)(NOO)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CN)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CCHH)(NOO){2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	119.4005	0.005	2	119.4005	0.000	2	119.8468	0.285	4	118.6769	0.886	16	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:3:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:N-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CN)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)(NOO)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CN)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)(NOO){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	120.2930	0.240	2	120.2930	0.058	2	119.8468	0.285	4	118.6769	0.886	16	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:3:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:C-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]C)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CO)(COO)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]C)(C[6a]C[6a]O){1|Br<1>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CO)(COO){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|O<2>,2|C<4>,3|C<3>}	117.5480	0.000	1	117.5480	0.000	1	117.5480	0.000	1	117.5480	0.000	1	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:4:	3:3:1:	C[5,6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CH3)2	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|H<1>,1|N<2>,1|P<4>,3|C<3>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CH3)2{2|H<1>,5|C<3>}	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	123.6450	0.000	1	123.6450	0.000	1	123.6450	0.000	1	121.9080	6.437	867	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:4:	3:3:1:	C[5a,6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6]C[6,6]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6,6]C[5,6]C[6,6])(CH3)2	C[6a](C[6,6a]C[5a,6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6]C[6,6]CC)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6,6]C[5,6]C[6,6])(CH3)2{1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[5a,6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	126.7250	0.000	1	126.7250	0.000	1	126.7250	0.000	1	121.9080	6.437	867	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:4:	3:3:1:	C[5a,6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CH3)2	C[6a](C[6,6a]C[5a,6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|H<1>,1|N<2>,4|C<3>}	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CH3)2{1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[5a,6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	127.8520	1.414	2	127.8520	2.000	2	127.8520	2.000	2	121.9080	6.437	867	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:4:	3:3:1:	C[6,6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6,6a]B[6,6,6a]C[6,6a])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6,6a]C[6a])(CH3)2	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6,6a]B[6,6,6a]C[6,6a])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6,6a]C[6a])(CH3)2{1|B<3>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]H)(H){1|B<3>,1|H<1>,2|C<3>,2|C<4>}	119.6328	0.407	5	119.6328	0.165	5	119.3953	3.217	160	121.9080	6.437	867	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:4:	3:3:1:	C[6,6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6,6a]C[6,6,6a]B[3x6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6,6a]C[6a])2(CH3)2	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6,6a](C[6,6,6a]C[6,6,6a]B[3x6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6,6a]C[6a])2(CH3)2{1|B<3>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6,6a]H)(H){1|B<3>,2|C<3>,3|C<4>}	118.2515	1.330	4	118.2515	1.770	4	119.3953	3.217	160	121.9080	6.437	867	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:4:	3:3:1:	C[6,6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6,6a]C[6a])2(CH3)2	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6,6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|B<3>,1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6,6a]C[6a])2(CH3)2{2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6,6a]H)(H){3|C<3>,3|C<4>}	119.0727	1.668	4	119.0727	2.781	4	119.3953	3.217	160	121.9080	6.437	867	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:4:	3:3:1:	C[6,6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6,6a]C[6,6,6a]C[6,6a])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6,6a]C[6a])(CH3)2	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6,6a]C[6,6,6a]C[6,6a])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6,6a]C[6a])(CH3)2{2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	117.9240	0.000	1	120.3437	4.395	3	119.3953	3.217	160	121.9080	6.437	867	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:4:	3:3:1:	C[6,6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6,6a]C[6,6,6a]C[6,6a])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6,6a]C[6a])(CH3)2	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6,6a]C[6,6,6a]C[6,6a])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|H<1>,1|N<3>,4|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6,6a]C[6a])(CH3)2{2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	121.4940	0.000	1	120.3437	4.395	3	119.3953	3.217	160	121.9080	6.437	867	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:4:	3:3:1:	C[6,6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6,6a]C[6,6,6a]C[6,6a])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6,6a]C[6a])(CH3)2	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6,6a]C[6,6,6a]C[6,6a])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|H<1>,1|O<2>,4|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6,6a]C[6a])(CH3)2{2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	121.6130	0.000	1	120.3437	4.395	3	119.3953	3.217	160	121.9080	6.437	867	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:4:	3:3:1:	C[6,6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6,6a]C[6,6a,6a]B[3x6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6,6a]C[6a])2(CH3)2	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a,6a]H)(H)	C[6,6a](C[6,6,6a]C[6,6a,6a]B[3x6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6,6a]C[6a])2(CH3)2{1|B<3>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a,6a]H)(H){1|B<3>,2|C<4>,3|C<3>}	118.4180	0.000	1	118.4180	0.000	1	119.3953	3.217	160	121.9080	6.437	867	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:4:	3:3:1:	C[6,6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6,6a]C[6,6a]B[3x6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6,6a]C[6a])2(CH3)2	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[5a]C[6a])(H)	C[6,6a](C[6,6,6a]C[6,6a]B[3x6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|C<4>,5|C<3>}	C[6](C[6,6a]C[6,6,6a]C[6a])2(CH3)2{1|B<3>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[5a]C[6a])(H){1|B<3>,1|H<1>,1|S<2>,2|C<4>,3|C<3>}	118.8239	1.003	16	118.8239	1.005	16	119.3953	3.217	160	121.9080	6.437	867	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:4:	3:3:1:	C[6,6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6,6a]C[6,6a]B[3x6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6,6a]C[6a])2(CH3)2	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]C)(H)	C[6,6a](C[6,6,6a]C[6,6a]B[3x6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){2|C<4>,4|C<3>}	C[6](C[6,6a]C[6,6,6a]C[6a])2(CH3)2{1|B<3>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]C)(H){1|B<3>,1|H<1>,2|C<3>,2|C<4>}	119.4270	0.120	2	119.4270	0.014	2	119.3953	3.217	160	121.9080	6.437	867	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:4:	3:3:1:	C[6,6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6,6a]C[6,6a]B[3x6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6,6a]C[6a])2(CH3)2	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6,6a]C[6,6a]B[3x6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6,6a]C[6a])2(CH3)2{1|B<3>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]H)(H){1|B<3>,1|H<1>,2|C<3>,2|C<4>}	119.6065	1.567	34	119.6744	2.095	41	119.3953	3.217	160	121.9080	6.437	867	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:4:	3:3:1:	C[6,6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6,6a]C[6,6a]B[3x6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6,6a]C[6a])2(CH3)2	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6,6a]C[6,6a]B[3x6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6,6a]C[6a])2(CH3)2{1|B<3>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]H)(H){1|B<3>,1|H<1>,2|C<3>,2|C<4>}	120.0046	0.560	7	119.6744	2.095	41	119.3953	3.217	160	121.9080	6.437	867	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:4:	3:3:1:	C[6,6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6,6a]C[6,6a]B[6,6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CH3)2	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]2)(H)	C[6,6a](C[6,6,6a]C[6,6a]B[6,6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|C<4>,5|C<3>}	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CH3)2{1|B<3>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]2)(H){1|B<3>,1|H<1>,2|C<4>,4|C<3>}	119.2220	0.000	1	119.2220	0.000	1	119.3953	3.217	160	121.9080	6.437	867	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:4:	3:3:1:	C[6,6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6,6a]C[6,6a]B[6,6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CH3)2	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6,6a]C[6,6a]B[6,6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CH3)2{1|B<3>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]H)(H){1|B<3>,1|H<1>,2|C<3>,2|C<4>}	120.4105	1.421	2	120.4105	2.018	2	119.3953	3.217	160	121.9080	6.437	867	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:4:	3:3:1:	C[6,6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6,6a]C[6,6a]C[3x6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6,6a]C[6a])2(CH3)2	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6,6a]C[6,6a]C[3x6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6,6a]C[6a])2(CH3)2{2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	118.0860	0.557	7	118.0860	0.310	7	119.3953	3.217	160	121.9080	6.437	867	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:4:	3:3:1:	C[6,6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6,6a]C[6,6a]N[3x6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6,6a]C[6a])2(CH3)2	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]2)(H)	C[6,6a](C[6,6,6a]C[6,6a]N[3x6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|C<4>,5|C<3>}	C[6](C[6,6a]C[6,6,6a]C[6a])2(CH3)2{1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]2)(H){1|H<1>,1|N<3>,2|C<4>,4|C<3>}	119.6604	2.192	26	119.6604	4.806	26	119.3953	3.217	160	121.9080	6.437	867	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:4:	3:3:1:	C[6,6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6,6a]C[6,6a]N[3x6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6,6a]C[6a])2(CH3)2	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]Br)(H)	C[6,6a](C[6,6,6a]C[6,6a]N[3x6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|Br<1>,1|C<4>,4|C<3>}	C[6](C[6,6a]C[6,6,6a]C[6a])2(CH3)2{1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]Br)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	117.3255	0.440	6	117.3255	0.193	6	119.3953	3.217	160	121.9080	6.437	867	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:4:	3:3:1:	C[6,6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6,6a]C[6,6a]N[3x6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6,6a]C[6a])2(CH3)2	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6,6a]C[6,6a]N[3x6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6,6a]C[6a])2(CH3)2{1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	119.4908	2.022	40	119.4908	4.089	40	119.3953	3.217	160	121.9080	6.437	867	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:4:	3:3:1:	C[6,6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CH3)2	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]C)(H)	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|C<4>,1|N<3>,4|C<3>}	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CH3)2{1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	124.1240	0.539	2	124.1240	0.290	2	119.3953	3.217	160	121.9080	6.437	867	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:4:	3:3:1:	C[6,6a,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a,6a]B[6,6,6a]C[6a,6a])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6,6a]C[6a])(CH3)2	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a,6a]B[6,6,6a]C[6a,6a])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|H<1>,1|N<3>,4|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6,6a]C[6a])(CH3)2{1|B<3>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(H){1|B<3>,1|H<1>,2|C<3>,2|C<4>}	120.1094	0.452	5	120.1094	0.204	5	120.6532	1.308	9	121.9080	6.437	867	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:4:	3:3:1:	C[6,6a,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a,6a]C[5a,6a,6a]B[6,6,6a])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6,6a]C[6a])(CH3)2	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[5a,6a]H)(H)	C[6,6a](C[6,6a,6a]C[5a,6a,6a]B[6,6,6a])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|H<1>,1|N<3>,4|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6,6a]C[6a])(CH3)2{1|B<3>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[5a,6a]H)(H){1|B<3>,2|C<4>,3|C<3>}	122.9340	0.000	1	122.9340	0.000	1	120.6532	1.308	9	121.9080	6.437	867	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:4:	3:3:1:	C[6,6a,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a,6a]C[6,6,6a]C[6a,6a])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6,6a]C[6a])(CH3)2	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a,6a]C[6,6,6a]C[6a,6a])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|H<1>,1|N<3>,4|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6,6a]C[6a])(CH3)2{2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	121.2540	0.000	1	120.7993	1.452	3	120.6532	1.308	9	121.9080	6.437	867	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:4:	3:3:1:	C[6,6a,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a,6a]C[6,6,6a]C[6a,6a])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6,6a]C[6a])(CH3)2	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a,6a]C[6,6,6a]C[6a,6a])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|H<1>,1|O<2>,4|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6,6a]C[6a])(CH3)2{2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	121.7110	0.000	1	120.7993	1.452	3	120.6532	1.308	9	121.9080	6.437	867	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:4:	3:3:1:	C[6,6a,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a,6a]C[6,6,6a]C[6a,6a])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6,6a]C[6a])(CH3)2	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a,6a]C[6,6,6a]C[6a,6a])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6,6a]C[6a])(CH3)2{2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	119.4330	0.000	1	120.7993	1.452	3	120.6532	1.308	9	121.9080	6.437	867	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:4:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,3x6]C[5])(CH3)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]CC)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,3x6]C[5])(CH3)2{2|C<4>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	122.8910	0.000	1	122.8910	0.000	1	122.8910	0.000	1	121.9080	6.437	867	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:4:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:Cl-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6]CC)(C[6a]C[6a]Cl)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(CH3)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(Cl)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6]CC)(C[6a]C[6a]Cl){1|H<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(CH3)2{1|Cl<1>,1|H<1>,1|N<2>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(Cl){1|Cl<1>,1|N<2>,2|C<3>,2|C<4>}	124.2015	0.849	2	124.2015	0.721	2	124.2015	0.721	2	121.9080	6.437	867	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:4:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6])(CH3)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6]CC)(C[6a]C[6a]H){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6])(CH3)2{1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	123.0400	0.000	1	123.0400	0.000	1	123.0400	0.000	1	121.9080	6.437	867	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:4:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6,6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C[6a](C[6,6a]C[6,6a]C[6])2(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6,6a]H){2|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])2(H){3|C<3>,6|C<4>}	121.7319	0.243	12	121.7319	0.059	12	122.3130	1.133	16	121.9080	6.437	867	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:4:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]CC)(C[6a]C[6,6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C[6a](C[6,6a]C[6,6a]C[6])2(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]CC)(C[6a]C[6,6a]H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])2(H){2|N<3>,3|C<3>,4|C<4>}	123.9120	0.235	2	124.0563	0.049	4	122.3130	1.133	16	121.9080	6.437	867	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:4:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]CC)(C[6a]C[6,6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C[6a](C[6,6a]C[6,6a]C[6])2(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]CC)(C[6a]C[6,6a]H){2|C<4>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])2(H){2|N<3>,3|C<3>,4|C<4>}	124.2005	0.087	2	124.0563	0.049	4	122.3130	1.133	16	121.9080	6.437	867	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:4:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]B[6,6]C[6a])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CH3)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]B[6,6]C[6a])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CH3)2{1|B<3>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|B<3>,1|H<1>,2|C<3>,2|C<4>}	119.2787	1.048	3	119.2787	1.099	3	122.6273	5.322	625	121.9080	6.437	867	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:4:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CH3)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|H<1>,1|N<2>,1|P<3>,3|C<3>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CH3)2{2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	117.4310	0.000	1	117.4310	0.000	1	122.6273	5.322	625	121.9080	6.437	867	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:4:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5a,6a]N[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[5a,6a]H)(H)	C[6,6a](C[6,6a]C[5a,6a]N[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[5a,6a]H)(H){2|C<3>,2|C<4>,2|N<3>}	123.0280	0.013	2	123.0280	0.000	2	122.6273	5.322	625	121.9080	6.437	867	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:4:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H){2|C<3>,2|C<4>,2|N<3>}	120.5670	1.413	2	120.5670	1.996	2	122.6273	5.322	625	121.9080	6.437	867	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:4:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CCHH)(CCHO)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])2(CCHH)(CCHO){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,3|C<4>}	123.9250	0.190	2	123.9250	0.036	2	122.6273	5.322	625	121.9080	6.437	867	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:4:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CC[6a]HH)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|Si<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])2(CC[6a]HH)2{1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,3|C<4>}	118.2610	0.154	2	118.2610	0.024	2	122.6273	5.322	625	121.9080	6.437	867	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:4:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,3|C<4>}	118.7152	0.590	4	120.7913	3.507	36	122.6273	5.322	625	121.9080	6.437	867	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:4:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,3|C<4>}	120.5825	0.443	2	120.7913	3.507	36	122.6273	5.322	625	121.9080	6.437	867	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:4:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|Ni<4>,1|H<1>,1|P<4>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	119.7900	0.634	4	120.7913	3.507	36	122.6273	5.322	625	121.9080	6.437	867	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:4:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|Ni<5>,1|H<1>,1|N<4>,1|P<4>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,3|C<4>}	123.1185	0.098	2	120.7913	3.507	36	122.6273	5.322	625	121.9080	6.437	867	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:4:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|Ni<5>,1|H<1>,1|O<2>,1|P<4>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,3|C<4>}	120.2745	0.319	2	120.7913	3.507	36	122.6273	5.322	625	121.9080	6.437	867	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:4:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	119.6453	0.203	6	120.7913	3.507	36	122.6273	5.322	625	121.9080	6.437	867	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:4:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|O<2>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){2|C<3>,4|C<4>}	122.6895	0.384	2	120.7913	3.507	36	122.6273	5.322	625	121.9080	6.437	867	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:4:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){2|H<1>,2|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,3|C<4>}	119.2530	2.428	4	120.7913	3.507	36	122.6273	5.322	625	121.9080	6.437	867	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:4:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	122.6352	1.263	8	120.7913	3.507	36	122.6273	5.322	625	121.9080	6.437	867	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:4:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,3|C<4>}	122.5850	0.296	2	120.7913	3.507	36	122.6273	5.322	625	121.9080	6.437	867	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:4:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|Ir<4>,1|N<3>,1|P<4>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N)(H){1|H<1>,2|C<4>,3|C<3>}	118.5830	0.703	2	120.6852	6.058	4	122.6273	5.322	625	121.9080	6.437	867	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:4:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|Ir<6>,1|H<1>,1|N<3>,1|P<4>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N)(H){1|H<1>,2|C<3>,3|C<4>}	122.7875	0.050	2	120.6852	6.058	4	122.6273	5.322	625	121.9080	6.437	867	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:4:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|O<2>,2|C<3>,3|C<4>}	117.4585	0.326	8	117.4585	0.107	8	122.6273	5.322	625	121.9080	6.437	867	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:4:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]N[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,2|C<3>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]N[6a]H)(H){2|C<3>,3|C<4>}	118.2533	0.542	4	118.2533	0.294	4	122.6273	5.322	625	121.9080	6.437	867	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:4:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(CH3)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(CH3)2{1|H<1>,1|N<3>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	119.3090	0.000	1	119.3090	0.000	1	122.6273	5.322	625	121.9080	6.437	867	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:4:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]2)(CH3)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]2)(CH3)2{1|H<1>,2|N<3>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	119.0465	0.217	2	119.0465	0.047	2	122.6273	5.322	625	121.9080	6.437	867	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:4:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CCHH)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|H<1>,1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CCHH)2{1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)(H){1|H<1>,1|N<3>,2|C<4>,4|C<3>}	120.5745	0.405	2	120.5745	0.164	2	122.6273	5.322	625	121.9080	6.437	867	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:4:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)(H){1|H<1>,1|N<3>,2|C<4>,4|C<3>}	120.2600	0.000	1	120.2600	0.000	1	122.6273	5.322	625	121.9080	6.437	867	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:4:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	120.5055	0.100	2	119.8115	0.665	4	122.6273	5.322	625	121.9080	6.437	867	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:4:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	119.1175	0.240	2	119.8115	0.665	4	122.6273	5.322	625	121.9080	6.437	867	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:4:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	122.2744	1.773	99	122.2731	3.060	103	122.6273	5.322	625	121.9080	6.437	867	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:4:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	122.2405	1.154	4	122.2731	3.060	103	122.6273	5.322	625	121.9080	6.437	867	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:4:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	121.7830	1.510	2	121.7830	2.281	2	122.6273	5.322	625	121.9080	6.437	867	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:4:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CCHH)(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CCHH)(CH3){1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,3|C<4>}	121.2175	0.159	2	121.2175	0.025	2	122.6273	5.322	625	121.9080	6.437	867	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:4:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|C<4>,1|N<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	122.0615	0.234	2	121.6454	3.992	46	122.6273	5.322	625	121.9080	6.437	867	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:4:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	122.4850	1.989	14	121.6454	3.992	46	122.6273	5.322	625	121.9080	6.437	867	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:4:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|C<4>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	120.5324	0.970	22	121.6454	3.992	46	122.6273	5.322	625	121.9080	6.437	867	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:4:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|Ru<5>,1|C<4>,1|P<4>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|O<3>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|H<1>,1|O<3>,2|C<3>,2|C<4>}	126.9660	0.000	1	121.6454	3.992	46	122.6273	5.322	625	121.9080	6.437	867	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:4:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|Ru<5>,1|Si<4>,1|C<4>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|O<3>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|H<1>,1|O<3>,2|C<3>,2|C<4>}	126.9610	0.000	1	121.6454	3.992	46	122.6273	5.322	625	121.9080	6.437	867	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:4:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){2|C<4>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	121.8562	1.681	6	121.6454	3.992	46	122.6273	5.322	625	121.9080	6.437	867	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:4:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|B<3>,1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	123.3598	1.893	5	123.4954	4.609	354	122.6273	5.322	625	121.9080	6.437	867	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:4:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|B<4>,1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	122.6973	1.890	10	123.4954	4.609	354	122.6273	5.322	625	121.9080	6.437	867	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:4:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|Bi<3>,1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	123.3280	0.055	2	123.4954	4.609	354	122.6273	5.322	625	121.9080	6.437	867	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:4:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|C<2>,1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	121.2500	0.078	2	123.4954	4.609	354	122.6273	5.322	625	121.9080	6.437	867	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:4:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	121.5045	1.414	6	123.4954	4.609	354	122.6273	5.322	625	121.9080	6.437	867	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:4:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	121.4090	0.041	2	123.4954	4.609	354	122.6273	5.322	625	121.9080	6.437	867	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:4:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	120.8613	2.092	3	123.4954	4.609	354	122.6273	5.322	625	121.9080	6.437	867	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:4:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|H<1>,1|P<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	123.5942	1.732	10	123.4954	4.609	354	122.6273	5.322	625	121.9080	6.437	867	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:4:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|H<1>,1|P<4>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	124.4023	1.680	148	123.4954	4.609	354	122.6273	5.322	625	121.9080	6.437	867	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:4:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	122.5456	1.613	38	123.4954	4.609	354	122.6273	5.322	625	121.9080	6.437	867	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:4:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|Ir<6>,1|H<1>,1|P<4>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|O<3>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<3>,2|C<3>,2|C<4>}	122.7901	1.815	8	123.4954	4.609	354	122.6273	5.322	625	121.9080	6.437	867	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:4:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|Os<6>,1|H<1>,1|P<4>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|O<3>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<3>,2|C<3>,2|C<4>}	120.5728	1.138	12	123.4954	4.609	354	122.6273	5.322	625	121.9080	6.437	867	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:4:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|Os<7>,1|H<1>,1|P<4>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|O<3>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<3>,2|C<3>,2|C<4>}	121.7802	2.105	4	123.4954	4.609	354	122.6273	5.322	625	121.9080	6.437	867	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:4:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|Pd<4>,1|H<1>,1|P<4>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|O<3>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<3>,2|C<3>,2|C<4>}	120.9110	0.885	4	123.4954	4.609	354	122.6273	5.322	625	121.9080	6.437	867	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:4:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|Pt<4>,1|H<1>,1|P<4>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|O<3>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<3>,2|C<3>,2|C<4>}	120.6435	0.261	2	123.4954	4.609	354	122.6273	5.322	625	121.9080	6.437	867	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:4:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|Rh<4>,1|H<1>,1|P<4>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|O<3>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<3>,2|C<3>,2|C<4>}	121.5457	1.723	16	123.4954	4.609	354	122.6273	5.322	625	121.9080	6.437	867	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:4:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|Rh<5>,1|H<1>,1|P<4>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|O<3>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<3>,2|C<3>,2|C<4>}	123.1080	0.243	2	123.4954	4.609	354	122.6273	5.322	625	121.9080	6.437	867	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:4:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|Rh<6>,1|H<1>,1|P<4>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|O<3>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<3>,2|C<3>,2|C<4>}	121.4160	1.960	5	123.4954	4.609	354	122.6273	5.322	625	121.9080	6.437	867	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:4:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|Ru<5>,1|Si<4>,1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|O<3>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<3>,2|C<3>,2|C<4>}	125.6083	0.254	6	123.4954	4.609	354	122.6273	5.322	625	121.9080	6.437	867	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:4:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|Ru<6>,1|H<1>,1|P<4>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|O<3>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<3>,2|C<3>,2|C<4>}	121.1256	2.310	10	123.4954	4.609	354	122.6273	5.322	625	121.9080	6.437	867	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:4:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|Si<3>,1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	120.9015	0.006	2	123.4954	4.609	354	122.6273	5.322	625	121.9080	6.437	867	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:4:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|Si<4>,1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	124.6069	1.790	45	123.4954	4.609	354	122.6273	5.322	625	121.9080	6.437	867	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:4:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|Si<5>,1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	126.8457	1.909	3	123.4954	4.609	354	122.6273	5.322	625	121.9080	6.437	867	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:4:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|Sn<2>,1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	123.0415	3.123	2	123.4954	4.609	354	122.6273	5.322	625	121.9080	6.437	867	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:4:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|Sn<3>,1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	124.8395	3.364	4	123.4954	4.609	354	122.6273	5.322	625	121.9080	6.437	867	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:4:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|Sn<4>,1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	122.7565	0.076	2	123.4954	4.609	354	122.6273	5.322	625	121.9080	6.437	867	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:4:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	121.0310	0.000	1	123.4954	4.609	354	122.6273	5.322	625	121.9080	6.437	867	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:4:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(CH3)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(CH3)2{1|H<1>,1|O<2>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	120.9327	0.137	3	120.9327	0.019	3	122.6273	5.322	625	121.9080	6.437	867	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:4:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|H<1>,2|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|S<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)(H){1|H<1>,1|S<4>,2|C<4>,4|C<3>}	120.5477	0.478	3	120.5477	0.228	3	122.6273	5.322	625	121.9080	6.437	867	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:4:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|Br<1>,1|C<4>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|S<2>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|H<1>,1|S<2>,2|C<3>,2|C<4>}	122.9515	0.832	2	122.5839	2.201	16	122.6273	5.322	625	121.9080	6.437	867	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:4:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|Ni<5>,1|B<4>,1|C<4>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|S<3>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|H<1>,1|S<3>,2|C<3>,2|C<4>}	124.6900	0.000	1	122.5839	2.201	16	122.6273	5.322	625	121.9080	6.437	867	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:4:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|Ni<5>,1|C<4>,1|P<4>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|S<3>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|H<1>,1|S<3>,2|C<3>,2|C<4>}	124.0640	0.000	1	122.5839	2.201	16	122.6273	5.322	625	121.9080	6.437	867	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:4:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|Pd<5>,1|B<4>,1|C<4>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|S<3>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|H<1>,1|S<3>,2|C<3>,2|C<4>}	120.7700	0.000	1	122.5839	2.201	16	122.6273	5.322	625	121.9080	6.437	867	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:4:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|Pd<5>,1|C<4>,1|P<4>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|S<3>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|H<1>,1|S<3>,2|C<3>,2|C<4>}	122.4460	0.000	1	122.5839	2.201	16	122.6273	5.322	625	121.9080	6.437	867	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:4:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|Pt<4>,1|B<3>,1|C<4>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|S<3>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|H<1>,1|S<3>,2|C<3>,2|C<4>}	120.9535	1.153	2	122.5839	2.201	16	122.6273	5.322	625	121.9080	6.437	867	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:4:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|Pt<4>,1|C<4>,1|P<4>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|S<3>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|H<1>,1|S<3>,2|C<3>,2|C<4>}	123.7465	0.405	2	122.5839	2.201	16	122.6273	5.322	625	121.9080	6.437	867	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:4:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|Rh<4>,1|B<3>,1|C<4>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|S<3>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|H<1>,1|S<3>,2|C<3>,2|C<4>}	120.4570	0.000	1	122.5839	2.201	16	122.6273	5.322	625	121.9080	6.437	867	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:4:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|Rh<4>,1|C<4>,1|P<4>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|S<3>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|H<1>,1|S<3>,2|C<3>,2|C<4>}	124.3910	0.000	1	122.5839	2.201	16	122.6273	5.322	625	121.9080	6.437	867	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:4:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|Rh<5>,1|C<4>,1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|S<3>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|H<1>,1|S<3>,2|C<3>,2|C<4>}	123.6170	0.000	1	122.5839	2.201	16	122.6273	5.322	625	121.9080	6.437	867	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:4:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|Rh<5>,1|C<4>,1|P<4>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|S<3>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|H<1>,1|S<3>,2|C<3>,2|C<4>}	121.4930	0.000	1	122.5839	2.201	16	122.6273	5.322	625	121.9080	6.437	867	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:4:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|Rh<6>,1|B<4>,1|C<4>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|S<3>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|H<1>,1|S<3>,2|C<3>,2|C<4>}	121.0550	0.000	1	122.5839	2.201	16	122.6273	5.322	625	121.9080	6.437	867	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:4:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|Rh<6>,1|C<4>,1|P<4>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|S<3>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|H<1>,1|S<3>,2|C<3>,2|C<4>}	123.0570	0.000	1	122.5839	2.201	16	122.6273	5.322	625	121.9080	6.437	867	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:4:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){2|H<1>,2|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|S<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,2|C<3>,2|C<4>}	120.3740	0.000	1	121.6313	0.492	6	122.6273	5.322	625	121.9080	6.437	867	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:4:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){2|H<1>,2|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|S<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,1|S<4>,2|C<3>,2|C<4>}	121.8828	0.375	5	121.6313	0.492	6	122.6273	5.322	625	121.9080	6.437	867	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:4:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N)(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|H<1>,1|N<3>,2|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|S<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N)(H){1|H<1>,1|S<4>,2|C<3>,2|C<4>}	121.3350	0.345	6	121.3350	0.119	6	122.6273	5.322	625	121.9080	6.437	867	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:4:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N[6])(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|H<1>,1|N<3>,2|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|S<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N[6])(H){1|H<1>,1|S<4>,2|C<4>,4|C<3>}	121.5845	0.042	2	121.5260	0.085	6	122.6273	5.322	625	121.9080	6.437	867	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:4:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N[6])(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|H<1>,1|N<3>,2|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|S<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N[6])(H){1|S<4>,3|C<4>,4|C<3>}	121.4968	0.371	4	121.5260	0.085	6	122.6273	5.322	625	121.9080	6.437	867	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:4:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CH3)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6]C[6,6a]CC)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CH3)2{1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	119.8820	1.164	2	119.8820	1.355	2	122.6273	5.322	625	121.9080	6.437	867	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:4:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CH3)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CH3)2{1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	123.7880	0.204	2	123.7880	0.041	2	122.6273	5.322	625	121.9080	6.437	867	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:4:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:C-4:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]C)(C[6a]C[6,6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]O[6]HH)(CH3)	C[6a](C[6,6a]C[6,6a]C[6])2(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]C)(C[6a]C[6,6a]H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]O[6]HH)(CH3){3|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])2(H){4|C<4>,5|C<3>}	122.9575	0.764	2	122.9575	0.584	2	122.9575	0.584	2	121.9080	6.437	867	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:4:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]S[6])(C[6]C[6a]C[6]C)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]H)(H)	C[6,6a](C[6,6a]C[6a,6a]S[6])(C[6]C[6a]C[6]C)(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(CH3){1|S<2>,2|C<4>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]H)(H){1|S<2>,2|C<4>,3|C<3>}	116.7545	0.452	2	116.7545	0.204	2	120.4471	3.266	45	121.9080	6.437	867	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:4:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]C)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]C)(C[6a]C[6a]H){4|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(CH3){3|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){2|C<4>,4|C<3>}	123.7330	0.000	1	123.7330	0.000	1	120.4471	3.266	45	121.9080	6.437	867	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:4:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]C)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]C)(C[6a]C[6a]H){1|C<4>,3|C<3>,6|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(CH3){1|C<4>,3|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,3|C<4>}	119.4530	0.000	1	118.7866	0.255	5	120.4471	3.266	45	121.9080	6.437	867	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:4:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]C)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]C)(C[6a]C[6a]H){2|C<4>,4|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(CH3){1|C<2>,1|C<4>,4|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,3|C<4>}	118.9070	0.249	2	118.7866	0.255	5	120.4471	3.266	45	121.9080	6.437	867	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:4:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]C)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]C)(C[6a]C[6a]H){2|C<4>,4|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(CH3){1|C<4>,4|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,3|C<4>}	118.3330	0.270	2	118.7866	0.255	5	120.4471	3.266	45	121.9080	6.437	867	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:4:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]C)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]C)(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(CH3){1|S<4>,4|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|O<2>,2|C<4>,3|C<3>}	121.4600	0.000	1	121.4600	0.000	1	120.4471	3.266	45	121.9080	6.437	867	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:4:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]C)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(CHHN)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]C)(C[6a]C[6a]H){3|C<3>,3|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(CHHN){1|C<4>,4|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,3|C<4>}	118.6835	0.179	2	118.6835	0.032	2	120.4471	3.266	45	121.9080	6.437	867	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:4:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]C)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]CH)(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]C)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]CH)(CH3){1|O<2>,3|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	122.1910	0.000	1	122.1910	0.000	1	120.4471	3.266	45	121.9080	6.437	867	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:4:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]C)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]HH)(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]C)(C[6a]C[6a]H){1|N<3>,1|S<1>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]HH)(CH3){1|C<4>,3|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	123.6320	0.000	1	123.6320	0.000	1	120.4471	3.266	45	121.9080	6.437	867	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:4:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]C)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]HO)(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]C)(C[6a]C[6a]H){1|N<3>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]HO)(CH3){1|O<2>,3|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	122.2470	0.287	2	122.2470	0.082	2	120.4471	3.266	45	121.9080	6.437	867	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:4:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]C)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]HS)(CCHH)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]C)(C[6a]C[6a]H){1|N<3>,1|O<1>,1|S<2>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]HS)(CCHH){1|C<4>,3|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	123.9590	0.000	1	123.9590	0.000	1	120.4471	3.266	45	121.9080	6.437	867	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:4:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6]C)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(CCHH)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6]C)(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(CCHH){1|N<3>,1|O<2>,3|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	120.8930	0.000	1	120.8930	0.000	1	120.4471	3.266	45	121.9080	6.437	867	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:4:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6]C)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6]C)(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(CH3){1|N<3>,1|O<2>,3|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	118.9430	0.638	2	118.9430	0.407	2	120.4471	3.266	45	121.9080	6.437	867	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:4:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]C)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]C)(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	121.0370	0.000	1	121.0370	0.000	1	120.4471	3.266	45	121.9080	6.437	867	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:4:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]C)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]C)(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	120.9069	0.440	18	121.1338	1.038	20	120.4471	3.266	45	121.9080	6.437	867	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:4:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]C)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]C)(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,3|C<4>}	121.2800	0.000	1	121.1338	1.038	20	120.4471	3.266	45	121.9080	6.437	867	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:4:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]C)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]C)(C[6a]C[6a]H){4|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(CH3){1|O<1>,2|H<1>,2|O<2>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|O<2>}	125.0700	0.000	1	121.1338	1.038	20	120.4471	3.266	45	121.9080	6.437	867	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:4:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6a]C[6]C)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6a]C[6]C)(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(CH3){1|S<3>,2|C<4>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|S<3>,2|C<3>,2|C<4>}	119.3410	0.000	1	118.6704	0.216	5	120.4471	3.266	45	121.9080	6.437	867	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:4:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6a]C[6]C)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6a]C[6]C)(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(CH3){1|S<2>,2|C<4>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,2|C<3>,2|C<4>}	118.5027	0.318	4	118.6704	0.216	5	120.4471	3.266	45	121.9080	6.437	867	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:4:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:Si[6]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]Si[6]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(Si[6]C[5,6]C[5])(CH3)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]Si[6]CC)(C[6a]C[6a]H){1|H<1>,2|C<3>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(Si[6]C[5,6]C[5])(CH3)2{2|C<3>,2|C<4>,2|H<1>,2|N<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|Si<3>,1|C<3>,1|H<1>,1|N<3>,2|C<4>}	119.8030	0.489	2	119.8030	0.239	2	119.8030	0.239	2	121.9080	6.437	867	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:3:4:4:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5a]-3:C[6]-4:C-4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5a]C[6]C)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5a]C[6]C)(C[6a]C[6a]O){1|C<4>,3|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(CH3){1|H<1>,1|O<2>,2|C<4>,2|N<3>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|N<3>,1|O<2>,2|C<3>,2|C<4>}	121.7380	0.000	1	121.7380	0.000	1	121.7380	0.000	1	121.7380	0.000	1	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:1:1:	3:2:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6,6a]-3:O[6a]-2:O-1:	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[5,6]HH)(C[6a]O[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(O[6a]C[6a,6a])(O)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[5,6]HH)(C[6a]O[6a]O){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2{1|C<3>,1|C<4>,1|O<1>,3|H<1>,3|O<2>}	C[6a](C[6,6a]C[6,6a]C[6])(O[6a]C[6a,6a])(O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	118.0670	0.000	1	118.0670	0.000	1	118.5330	0.163	3	118.6195	0.139	4	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:1:1:	3:2:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6,6a]-3:O[6a]-2:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]HH)(C[6a]O[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(O[6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]HH)(C[6a]O[6a]O){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2{1|C<3>,1|C<4>,1|O<1>,3|H<1>,3|O<2>}	C[6a](C[6,6a]C[6,6a]C[6])(O[6a]C[6a])(O){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	118.7900	0.000	1	118.7660	0.001	2	118.5330	0.163	3	118.6195	0.139	4	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:1:1:	3:2:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6,6a]-3:O[6a]-2:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]HH)(C[6a]O[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(O[6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]HH)(C[6a]O[6a]O){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>,3|O<2>}	C[6a](C[6,6a]C[6,6a]C[6])(O[6a]C[6a])(O){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	118.7420	0.000	1	118.7660	0.001	2	118.5330	0.163	3	118.6195	0.139	4	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:1:1:	3:2:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:O[6a]-2:O-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]HH)(C[6a]O[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(O[6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]HH)(C[6a]O[6a]O){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>,3|O<2>}	C[6a](C[6,6a]C[6,6a]C[6])(O[6a]C[6a])(O){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	118.8790	0.000	1	118.8790	0.000	1	118.8790	0.000	1	118.6195	0.139	4	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:1:1:	3:3:1:	C[5,6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6,6a]C[5,5,6,6]C[5,6a])(C[6]C[5,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6,6]C[5]H)(H)2	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6,6a]C[5,5,6,6]C[5,6a])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6,6]C[5]H)(H)2{2|C<3>,3|C<4>,4|H<1>}	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	128.3390	0.000	1	128.3390	0.000	1	128.3710	0.068	6	121.6868	5.844	324	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:1:1:	3:3:1:	C[5,6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6,6a]C[5,5,6]C[5,6a])(C[6]C[5,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,5,6]C[5]H)(H)2	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6,6a]C[5,5,6]C[5,6a])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,5,6]C[5]H)(H)2{1|N<3>,2|C<3>,2|H<1>,4|C<4>}	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	128.6110	0.037	2	128.6110	0.001	2	128.3710	0.068	6	121.6868	5.844	324	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:1:1:	3:3:1:	C[5,6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6]C[5,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2{1|H<1>,1|N<3>,3|C<3>,4|C<4>}	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	128.2217	0.277	3	128.2217	0.077	3	128.3710	0.068	6	121.6868	5.844	324	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:1:1:	3:3:1:	C[5,6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:Cl-1:	C[6,6a](C[5,6,6a]C[5,3x6]C[5,6a])(C[6]C[6,6]HH)(C[6a]C[6a]Cl)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6]C[3x6]N[6]H)(H)2	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6a]C[6a]H)(Cl)	C[6,6a](C[5,6,6a]C[5,3x6]C[5,6a])(C[6]C[6,6]HH)(C[6a]C[6a]Cl){1|C<3>,1|N<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6]C[3x6]N[6]H)(H)2{1|Cl<1>,1|H<1>,2|C<3>,4|C<4>}	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6a]C[6a]H)(Cl){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	126.0580	0.000	1	126.0580	0.000	1	126.0580	0.000	1	121.6868	5.844	324	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:1:1:	3:3:1:	C[5,6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6,6a]C[5,3x6]C[5,6a])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6]C[3x6]N[6]H)(H)2	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6,6a]C[5,3x6]C[5,6a])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6]C[3x6]N[6]H)(H)2{1|H<1>,1|O<2>,2|C<3>,4|C<4>}	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	126.0190	0.330	2	125.2666	1.221	33	125.1385	1.157	46	121.6868	5.844	324	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:1:1:	3:3:1:	C[5,6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6,6a]C[5,3x6]C[5,6a])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6]C[3x6]N[6]H)(H)2	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6,6a]C[5,3x6]C[5,6a])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6]C[3x6]N[6]H)(H)2{2|C<3>,2|H<1>,4|C<4>}	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	126.1950	0.000	1	125.2666	1.221	33	125.1385	1.157	46	121.6868	5.844	324	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:1:1:	3:3:1:	C[5,6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6,6a]C[5,3x6]C[5,6a])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6]C[3x6]N[6]H)(H)2	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6,6a]C[5,3x6]C[5,6a])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6]C[3x6]N[6]H)(H)2{2|C<3>,2|H<1>,4|C<4>}	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	126.1645	0.224	2	125.2666	1.221	33	125.1385	1.157	46	121.6868	5.844	324	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:1:1:	3:3:1:	C[5,6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6,6a]C[5,3x6]C[5,6a])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6]C[3x6]N[6]H)(H)2	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6,6a]C[5,3x6]C[5,6a])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6]C[3x6]N[6]H)(H)2{2|C<3>,2|H<1>,4|C<4>}	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	123.9320	0.000	1	125.2666	1.221	33	125.1385	1.157	46	121.6868	5.844	324	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:1:1:	3:3:1:	C[5,6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6,6a]C[5,3x6]C[5,6a])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6]C[3x6]N[6]H)(H)2	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6,6a]C[5,3x6]C[5,6a])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6]C[3x6]N[6]H)(H)2{2|H<1>,3|C<3>,3|C<4>}	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	125.2400	1.139	10	125.2666	1.221	33	125.1385	1.157	46	121.6868	5.844	324	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:1:1:	3:3:1:	C[5,6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6,6a]C[5,3x6]C[5,6a])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6]C[3x6]N[6]H)(H)2	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6,6a]C[5,3x6]C[5,6a])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<3>,1|N<4>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6]C[3x6]N[6]H)(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<3>,4|C<4>}	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	125.5770	0.000	1	125.2666	1.221	33	125.1385	1.157	46	121.6868	5.844	324	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:1:1:	3:3:1:	C[5,6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6,6a]C[5,3x6]C[5,6a])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6]C[3x6]N[6]H)(H)2	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6,6a]C[5,3x6]C[5,6a])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<3>,1|N<4>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6]C[3x6]N[6]H)(H)2{1|H<1>,1|O<2>,2|C<3>,5|C<4>}	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	126.0160	0.782	2	125.2666	1.221	33	125.1385	1.157	46	121.6868	5.844	324	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:1:1:	3:3:1:	C[5,6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6,6a]C[5,3x6]C[5,6a])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6]C[3x6]N[6]H)(H)2	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6,6a]C[5,3x6]C[5,6a])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<3>,1|N<4>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6]C[3x6]N[6]H)(H)2{1|O<2>,2|C<3>,2|H<1>,4|C<4>}	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	125.7230	1.493	5	125.2666	1.221	33	125.1385	1.157	46	121.6868	5.844	324	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:1:1:	3:3:1:	C[5,6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6,6a]C[5,3x6]C[5,6a])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6]C[3x6]N[6]H)(H)2	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6,6a]C[5,3x6]C[5,6a])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<3>,1|N<4>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6]C[3x6]N[6]H)(H)2{3|C<3>,3|C<4>,3|H<1>}	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	124.4614	0.827	8	125.2666	1.221	33	125.1385	1.157	46	121.6868	5.844	324	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:1:1:	3:3:1:	C[5,6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6,6a]C[5,3x6]C[5,6a])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6]C[3x6]N[6]H)(H)2	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6,6a]C[5,3x6]C[5,6a])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6]C[3x6]N[6]H)(H)2{1|H<1>,3|C<3>,3|C<4>}	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	124.9880	0.000	1	125.2666	1.221	33	125.1385	1.157	46	121.6868	5.844	324	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:1:1:	3:3:1:	C[5,6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6,6a]C[5,4x6]C[5,6a])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6]C[4,4x6]N[6]H)(H)2	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6,6a]C[5,4x6]C[5,6a])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6]C[4,4x6]N[6]H)(H)2{1|H<1>,1|O<2>,2|C<3>,4|C<4>}	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	124.3190	0.000	1	124.3190	0.000	1	125.1385	1.157	46	121.6868	5.844	324	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:1:1:	3:3:1:	C[5,6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6,6a]C[5,4x6]C[5,6a])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6]C[5x6]N[6]H)(H)2	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6,6a]C[5,4x6]C[5,6a])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6]C[5x6]N[6]H)(H)2{1|C<2>,1|H<1>,3|C<3>,3|C<4>}	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	125.3150	0.000	1	124.8544	0.985	12	125.1385	1.157	46	121.6868	5.844	324	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:1:1:	3:3:1:	C[5,6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6,6a]C[5,4x6]C[5,6a])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6]C[5x6]N[6]H)(H)2	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6,6a]C[5,4x6]C[5,6a])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6]C[5x6]N[6]H)(H)2{1|H<1>,2|C<3>,5|C<4>}	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	124.6670	0.133	2	124.8544	0.985	12	125.1385	1.157	46	121.6868	5.844	324	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:1:1:	3:3:1:	C[5,6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6,6a]C[5,4x6]C[5,6a])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6]C[5x6]N[6]H)(H)2	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6,6a]C[5,4x6]C[5,6a])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6]C[5x6]N[6]H)(H)2{1|H<1>,3|C<3>,4|C<4>}	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	124.4804	0.623	5	124.8544	0.985	12	125.1385	1.157	46	121.6868	5.844	324	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:1:1:	3:3:1:	C[5,6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6,6a]C[5,4x6]C[5,6a])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6]C[5x6]N[6]H)(H)2	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6,6a]C[5,4x6]C[5,6a])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<3>,1|N<4>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6]C[5x6]N[6]H)(H)2{2|C<3>,2|H<1>,5|C<4>}	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	125.3005	1.579	4	124.8544	0.985	12	125.1385	1.157	46	121.6868	5.844	324	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[3,6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6]C[3,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]O[3]H)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6]C[3,6]HH)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]O[3]H)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	118.8905	0.247	2	118.8905	0.061	2	118.6247	0.252	6	121.6868	5.844	324	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[3,6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6]C[3,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]N[3]H)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]H)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6]C[3,6]HH)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]N[3]H)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	118.1200	0.000	1	118.1200	0.000	1	118.6247	0.252	6	121.6868	5.844	324	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[3,6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6]C[3,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]O[3]H)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]H)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6]C[3,6]HH)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]O[3]H)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	119.3410	0.000	1	119.3410	0.000	1	118.6247	0.252	6	121.6868	5.844	324	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[3,6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[3,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]C[3]H)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[3,6]HH)(C[6a]C[6a]H){1|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]C[3]H)(H)2{2|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	118.2530	0.123	2	118.2530	0.015	2	118.6247	0.252	6	121.6868	5.844	324	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[3x6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[3x6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]2C[6])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[3x6]HH)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]2C[6])(H)2{1|N<2>,3|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|N<2>,1|O<2>,2|H<1>}	122.7480	0.000	1	122.7480	0.000	1	122.7480	0.000	1	121.6868	5.844	324	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[4,6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[4,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[4,6]C[4]2N[6])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[4,6]HH)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[4,6]C[4]2N[6])(H)2{1|C<4>,3|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	124.5610	0.000	1	124.5610	0.000	1	124.5610	0.000	1	121.6868	5.844	324	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:Br-1:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]Br)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]O)(Br)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]Br){1|O<1>,1|O<2>,2|C<4>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(H)2{1|Br<1>,1|O<1>,1|O<2>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]O)(Br){1|C<4>,2|H<1>,3|C<3>}	121.6330	0.000	1	121.6330	0.000	1	121.6330	0.000	1	121.6868	5.844	324	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:Cl-1:	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]Cl)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]2)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(Cl)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]Cl){2|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]2)(H)2{1|Cl<1>,1|H<1>,1|O<1>,2|C<3>,2|C<4>,3|N<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	121.2060	0.000	1	121.2060	0.000	1	121.2060	0.000	1	121.6868	5.844	324	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:F-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]F)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(F)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]F){1|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2{1|F<1>,2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(F){1|C<3>,2|C<4>,3|H<1>}	119.8800	0.000	1	119.8800	0.000	1	119.8800	0.000	1	121.6868	5.844	324	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|C<3>,3|H<1>,4|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2{1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	119.0390	0.000	1	119.0390	0.000	1	121.3906	1.932	115	121.6868	5.844	324	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2{2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.3033	0.200	6	120.3033	0.040	6	121.3906	1.932	115	121.6868	5.844	324	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2{1|Cl<1>,1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,2|C<4>,3|H<1>}	119.6720	0.000	1	119.7625	0.016	2	121.3906	1.932	115	121.6868	5.844	324	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2{1|Cl<1>,2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,2|C<4>,3|H<1>}	119.8530	0.000	1	119.7625	0.016	2	121.3906	1.932	115	121.6868	5.844	324	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5]H)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5]H)(H)2{1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	120.2680	0.000	1	120.2680	0.000	1	121.3906	1.932	115	121.6868	5.844	324	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N[5])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>,2|N<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N[5])(H)2{1|C<4>,1|N<2>,1|O<1>,2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.8730	0.000	1	120.8730	0.000	1	121.3906	1.932	115	121.6868	5.844	324	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]O[5,6]C[5]H)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]O[5,6]C[5]H)(H)2{1|H<1>,3|C<3>,3|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.4760	0.000	1	121.4760	0.000	1	121.3906	1.932	115	121.6868	5.844	324	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]N[5,6])(C[6]C[5,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]O[5,6]C[5]H)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]Br)(H)	C[6,6a](C[6,6a]C[6a,6a]N[5,6])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|Br<1>,1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]O[5,6]C[5]H)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]Br)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	120.9463	0.268	3	120.9463	0.072	3	121.3906	1.932	115	121.6868	5.844	324	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]N[5,6])(C[6]C[5,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]O[5,6]C[5]H)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]H)(H)	C[6,6a](C[6,6a]C[6a,6a]N[5,6])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]O[5,6]C[5]H)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	121.0920	0.285	5	121.0920	0.081	5	121.3906	1.932	115	121.6868	5.844	324	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(H)2{1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	119.4570	0.000	1	122.1205	3.517	4	121.3906	1.932	115	121.6868	5.844	324	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(H)2{1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	123.4295	0.163	2	122.1205	3.517	4	121.3906	1.932	115	121.6868	5.844	324	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(H)2{1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	122.1660	0.000	1	122.1205	3.517	4	121.3906	1.932	115	121.6868	5.844	324	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]H){2|H<1>,3|C<3>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2{1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|C<3>,2|C<4>,3|H<1>}	121.3850	0.000	1	121.3850	0.000	1	121.3906	1.932	115	121.6868	5.844	324	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|C<3>,1|F<1>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2{1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	119.7070	0.000	1	121.1441	3.023	11	121.3906	1.932	115	121.6868	5.844	324	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2{1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	123.6130	0.000	1	121.1441	3.023	11	121.3906	1.932	115	121.6868	5.844	324	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2{1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	119.3850	0.000	1	121.1441	3.023	11	121.3906	1.932	115	121.6868	5.844	324	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2{1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	119.4200	0.000	1	121.1441	3.023	11	121.3906	1.932	115	121.6868	5.844	324	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2{1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	122.4725	0.515	2	121.1441	3.023	11	121.3906	1.932	115	121.6868	5.844	324	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2{2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	122.5190	0.000	1	121.1441	3.023	11	121.3906	1.932	115	121.6868	5.844	324	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|C<4>,2|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2{1|N<3>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	122.4610	0.000	1	121.1441	3.023	11	121.3906	1.932	115	121.6868	5.844	324	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2{1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.7860	0.000	1	121.1441	3.023	11	121.3906	1.932	115	121.6868	5.844	324	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2{1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,2|C<4>,2|H<1>}	118.2570	0.000	1	121.1441	3.023	11	121.3906	1.932	115	121.6868	5.844	324	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2{1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.4920	0.000	1	121.1441	3.023	11	121.3906	1.932	115	121.6868	5.844	324	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5]H)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5]H)(H)2{1|S<4>,2|C<3>,2|H<1>,3|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	118.1250	0.000	1	120.2362	4.940	4	121.3906	1.932	115	121.6868	5.844	324	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5]H)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5]H)(H)2{1|S<4>,2|C<3>,2|H<1>,3|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	118.6050	0.000	1	120.2362	4.940	4	121.3906	1.932	115	121.6868	5.844	324	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5]H)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5]H)(H)2{1|S<4>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.5160	0.000	1	120.2362	4.940	4	121.3906	1.932	115	121.6868	5.844	324	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5]H)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5]H)(H)2{1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	122.6990	0.000	1	120.2362	4.940	4	121.3906	1.932	115	121.6868	5.844	324	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H)(H)2{1|H<1>,2|C<3>,4|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H){1|C<3>,2|C<4>,3|H<1>}	123.2440	0.508	2	123.2440	0.258	2	121.3906	1.932	115	121.6868	5.844	324	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H)(H)2{1|H<1>,3|C<3>,3|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	118.7970	0.000	1	118.6903	0.299	3	121.3906	1.932	115	121.6868	5.844	324	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H)(H)2{2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	119.1760	0.000	1	118.6903	0.299	3	121.3906	1.932	115	121.6868	5.844	324	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H)(H)2{2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	118.0980	0.000	1	118.6903	0.299	3	121.3906	1.932	115	121.6868	5.844	324	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2N[6])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2N[6])(H)2{1|N<3>,1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	124.2900	0.000	1	124.2900	0.000	1	121.3906	1.932	115	121.6868	5.844	324	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]C)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]C)(H)2{1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.0545	0.702	4	121.6884	2.379	5	121.3906	1.932	115	121.6868	5.844	324	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]C)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]C)(H)2{2|H<1>,3|C<3>,3|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	124.2240	0.000	1	121.6884	2.379	5	121.3906	1.932	115	121.6868	5.844	324	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]H)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]H)(H)2{2|H<1>,3|C<3>,3|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.3097	0.588	3	120.3097	0.346	3	121.3906	1.932	115	121.6868	5.844	324	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]2H)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|C<3>,1|S<4>,2|H<1>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]2H)(H)2{1|C<4>,1|O<2>,2|C<3>,2|N<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	124.5900	0.000	1	124.5900	0.000	1	121.3906	1.932	115	121.6868	5.844	324	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2{1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	119.7870	0.000	1	119.7870	0.000	1	121.3906	1.932	115	121.6868	5.844	324	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]C)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|C<3>,1|O<2>,1|S<4>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]C)(H)2{1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	123.4150	0.000	1	123.4150	0.000	1	121.3906	1.932	115	121.6868	5.844	324	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,1|S<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H)(H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	124.2700	0.000	1	124.2700	0.000	1	121.3906	1.932	115	121.6868	5.844	324	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N[5])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N[5])(H)2{1|O<1>,2|H<1>,2|N<3>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.5430	0.000	1	120.5430	0.000	1	121.3906	1.932	115	121.6868	5.844	324	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2{1|C<4>,2|O<2>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	121.8120	0.000	1	121.8120	0.000	1	121.3906	1.932	115	121.6868	5.844	324	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[5,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]H)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,2|H<1>,2|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]H)(H)2{1|S<4>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|S<4>,3|H<1>}	120.9207	2.101	3	121.5780	4.672	4	121.3906	1.932	115	121.6868	5.844	324	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[5,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]H)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,2|H<1>,2|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]H)(H)2{1|S<4>,2|C<3>,2|H<1>,3|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|S<4>,3|H<1>}	123.5500	0.000	1	121.5780	4.672	4	121.3906	1.932	115	121.6868	5.844	324	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]2)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]2)(H)2{2|C<3>,2|C<4>,2|H<1>,2|N<3>,2|O<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.4930	0.000	1	120.4930	0.000	1	121.3906	1.932	115	121.6868	5.844	324	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]O[5,6]C[5]H)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]O[5,6]C[5]H)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	121.8640	0.000	1	121.8640	0.000	1	121.3906	1.932	115	121.6868	5.844	324	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]O[5,6]C[5]H)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]O[5,6]C[5]H)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	122.3900	0.020	2	122.3900	0.000	2	121.3906	1.932	115	121.6868	5.844	324	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]O[5,6]C[5]H)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]O[5,6]C[5]H)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	121.8911	0.426	11	121.8259	0.216	12	121.3906	1.932	115	121.6868	5.844	324	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]O[5,6]C[5]H)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H){2|Cl<1>,1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]O[5,6]C[5]H)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	121.1090	0.000	1	121.8259	0.216	12	121.3906	1.932	115	121.6868	5.844	324	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]O[5,6]C[5]H)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]F)(H)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|C<3>,1|F<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]O[5,6]C[5]H)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]F)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	121.6586	0.245	8	121.6586	0.060	8	121.3906	1.932	115	121.6868	5.844	324	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]O[5,6]C[5]H)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]O[5,6]C[5]H)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	122.1949	0.687	14	122.0482	0.473	19	121.3906	1.932	115	121.6868	5.844	324	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]O[5,6]C[5]H)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]O[5,6]C[5]H)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	121.7310	0.000	1	122.0482	0.473	19	121.3906	1.932	115	121.6868	5.844	324	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]O[5,6]C[5]H)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]O[5,6]C[5]H)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	121.6140	0.639	4	122.0482	0.473	19	121.3906	1.932	115	121.6868	5.844	324	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]O[5,6]C[5]H)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]O[5,6]C[5]H)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	121.8810	0.481	5	121.8810	0.232	5	121.3906	1.932	115	121.6868	5.844	324	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6,6]C[5]2)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6,6]C[5]2)(H)2{2|C<3>,2|C<4>,2|H<1>,2|N<3>,2|O<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	119.2110	0.768	3	119.2110	0.590	3	121.3906	1.932	115	121.6868	5.844	324	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6,6a]-3:N[6a]-3:O-1:	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[5,6]HH)(C[6a]N[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a,6a]C)(O)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[5,6]HH)(C[6a]N[6a]O){1|H<1>,2|C<4>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2{1|H<1>,1|N<3>,1|O<1>,1|O<2>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a,6a]C)(O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	118.8550	0.000	1	118.8550	0.000	1	118.8550	0.000	1	121.6868	5.844	324	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:Br-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]BrH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]N[6]H)(Br)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]BrH)(C[6a]C[6a]H){2|C<3>,2|N<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]N[6]H)(Br)(H){1|H<1>,2|C<4>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	120.4530	0.000	1	120.4530	0.000	1	120.4530	0.000	1	121.6868	5.844	324	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[3x6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]N[6]H)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[3x6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]N[6]H)(H)2{1|H<1>,1|O<2>,2|C<3>,4|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	117.1330	0.361	2	118.1098	0.555	12	120.7061	3.916	120	121.6868	5.844	324	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[3x6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]N[6]H)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[3x6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]N[6]H)(H)2{2|H<1>,3|C<3>,3|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	118.2343	0.662	4	118.1098	0.555	12	120.7061	3.916	120	121.6868	5.844	324	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[3x6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]N[6]H)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[3x6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<3>,1|N<3>,3|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]N[6]H)(H)2{2|C<3>,2|H<1>,4|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	119.2500	0.000	1	118.1098	0.555	12	120.7061	3.916	120	121.6868	5.844	324	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[3x6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]N[6]H)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[3x6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<3>,1|N<4>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]N[6]H)(H)2{1|N<3>,2|H<1>,3|C<3>,3|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	118.1200	0.000	1	118.1098	0.555	12	120.7061	3.916	120	121.6868	5.844	324	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[3x6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]N[6]H)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[3x6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<3>,1|N<4>,3|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]N[6]H)(H)2{2|C<3>,3|H<1>,4|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	118.3120	0.047	2	118.1098	0.555	12	120.7061	3.916	120	121.6868	5.844	324	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[3x6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]N[6]H)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[3x6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]N[6]H)(H)2{1|H<1>,3|C<3>,3|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	117.2520	0.000	1	118.1098	0.555	12	120.7061	3.916	120	121.6868	5.844	324	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[3x6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]N[6]H)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[3x6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|N<4>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]N[6]H)(H)2{2|C<3>,3|H<1>,4|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	118.8680	0.000	1	118.1098	0.555	12	120.7061	3.916	120	121.6868	5.844	324	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|H<1>,2|C<4>,2|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(H)2{1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,2|C<4>,3|H<1>}	118.8290	0.000	1	118.8290	0.000	1	120.7061	3.916	120	121.6868	5.844	324	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6]H)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<3>,1|N<4>,3|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6]H)(H)2{2|C<3>,3|H<1>,4|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	118.3530	0.000	1	118.3710	0.001	2	120.7061	3.916	120	121.6868	5.844	324	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6]H)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6]H)(H)2{2|C<3>,2|H<1>,4|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,2|C<4>,2|H<1>}	118.3890	0.000	1	118.3710	0.001	2	120.7061	3.916	120	121.6868	5.844	324	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6]H)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<3>,2|O<2>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6]H)(H)2{1|C<4>,1|S<4>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,2|C<4>,3|H<1>}	117.0920	0.000	1	117.0920	0.000	1	120.7061	3.916	120	121.6868	5.844	324	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]C)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<3>,1|H<1>,2|O<2>,4|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]C)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	116.3120	0.000	1	118.4185	8.875	2	120.7061	3.916	120	121.6868	5.844	324	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]C)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]C)(H)2{1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.5250	0.000	1	118.4185	8.875	2	120.7061	3.916	120	121.6868	5.844	324	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]H)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]H)(H)2{1|C<4>,1|S<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	119.0833	0.180	3	119.0833	0.033	3	120.7061	3.916	120	121.6868	5.844	324	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]H)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]H)(H)2{1|C<4>,1|S<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	118.8100	0.000	1	118.8100	0.000	1	120.7061	3.916	120	121.6868	5.844	324	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6]H)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6]H)(H)2{1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	121.1120	0.000	1	121.1120	0.000	1	120.7061	3.916	120	121.6868	5.844	324	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6]H)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6]H)(H)2{1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	119.9730	0.000	1	119.9480	0.001	2	120.7061	3.916	120	121.6868	5.844	324	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6]H)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6]H)(H)2{1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	119.9230	0.000	1	119.9480	0.001	2	120.7061	3.916	120	121.6868	5.844	324	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]O[6,6]C[6]H)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]O[6,6]C[6]H)(H)2{1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.4770	0.321	2	120.4770	0.103	2	120.7061	3.916	120	121.6868	5.844	324	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]O[6,6]O[6]C)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>,3|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]O[6,6]O[6]C)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	119.5700	0.000	1	119.5700	0.000	1	120.7061	3.916	120	121.6868	5.844	324	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]H)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]H)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]H)(H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	119.5430	0.000	1	119.5430	0.000	1	120.7061	3.916	120	121.6868	5.844	324	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(H)2{1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	121.8320	0.496	4	120.3541	1.797	10	120.7061	3.916	120	121.6868	5.844	324	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(H)2{1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	119.3690	0.680	2	120.3541	1.797	10	120.7061	3.916	120	121.6868	5.844	324	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(H)2{2|C<4>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	119.3688	0.370	4	120.3541	1.797	10	120.7061	3.916	120	121.6868	5.844	324	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<3>,1|H<1>,3|C<4>,3|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(H)2{3|C<3>,3|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,2|C<4>,3|H<1>}	118.5440	0.000	1	118.5440	0.000	1	120.7061	3.916	120	121.6868	5.844	324	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]F)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<3>,1|F<1>,2|H<1>,4|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2{1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]F)(H){1|C<3>,2|C<4>,3|H<1>}	118.6120	0.000	1	118.6120	0.000	1	120.7061	3.916	120	121.6868	5.844	324	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2{2|C<4>,3|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.7230	0.000	1	120.3965	3.508	11	120.7061	3.916	120	121.6868	5.844	324	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2{2|C<3>,3|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	121.9317	2.380	4	120.3965	3.508	11	120.7061	3.916	120	121.6868	5.844	324	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2{2|C<4>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.0790	0.000	1	120.3965	3.508	11	120.7061	3.916	120	121.6868	5.844	324	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2{3|C<3>,3|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	119.5665	0.185	2	120.3965	3.508	11	120.7061	3.916	120	121.6868	5.844	324	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2{2|C<4>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	118.4330	0.000	1	120.3965	3.508	11	120.7061	3.916	120	121.6868	5.844	324	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<3>,3|H<1>,4|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2{1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	119.1330	0.014	2	120.3965	3.508	11	120.7061	3.916	120	121.6868	5.844	324	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2{2|C<3>,3|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,2|C<4>,3|H<1>}	120.4600	1.230	4	120.3928	1.158	5	120.7061	3.916	120	121.6868	5.844	324	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2{1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,2|C<4>,3|H<1>}	120.1240	0.000	1	120.3928	1.158	5	120.7061	3.916	120	121.6868	5.844	324	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]Ru)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|Ru<9>,1|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]Ru)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.0673	0.578	4	121.0673	0.334	4	120.7061	3.916	120	121.6868	5.844	324	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]S[6]H)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<3>,1|S<2>,3|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]S[6]H)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.6790	0.000	1	120.6790	0.000	1	120.7061	3.916	120	121.6868	5.844	324	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2N[6])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<1>,2|C<3>,2|N<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2N[6])(H)2{1|N<3>,2|C<4>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	121.3435	1.115	2	122.4717	4.440	3	120.7061	3.916	120	121.6868	5.844	324	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2N[6])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2N[6])(H)2{1|N<3>,1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	124.7280	0.000	1	122.4717	4.440	3	120.7061	3.916	120	121.6868	5.844	324	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)(H)2{2|N<3>,2|O<1>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	118.1360	0.000	1	117.8620	0.150	2	120.7061	3.916	120	121.6868	5.844	324	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)(H)2{1|C<4>,2|H<1>,2|N<3>,2|O<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	117.5880	0.000	1	117.8620	0.150	2	120.7061	3.916	120	121.6868	5.844	324	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]2)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]2)(H)2{2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	122.4450	0.000	1	121.5882	0.726	5	120.7061	3.916	120	121.6868	5.844	324	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]2)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]2)(H)2{2|C<3>,3|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.3740	0.814	4	121.5882	0.726	5	120.7061	3.916	120	121.6868	5.844	324	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6]H)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6]H)(H)2{1|N<3>,2|C<3>,2|H<1>,3|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.0460	0.000	1	120.7580	0.166	2	120.7061	3.916	120	121.6868	5.844	324	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6]H)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|N<3>,2|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6]H)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.4700	0.000	1	120.7580	0.166	2	120.7061	3.916	120	121.6868	5.844	324	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6]H)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|N<3>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6]H)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	123.0310	0.000	1	123.0310	0.000	1	120.7061	3.916	120	121.6868	5.844	324	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(H)2{1|N<2>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,3|H<1>}	122.6500	0.000	1	122.6500	0.000	1	120.7061	3.916	120	121.6868	5.844	324	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6]HH)(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2{1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	124.1660	0.000	1	124.1660	0.000	1	120.7061	3.916	120	121.6868	5.844	324	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]S[6]H)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|S<2>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]S[6]H)(H)2{1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,3|H<1>}	122.8130	0.000	1	122.8130	0.000	1	120.7061	3.916	120	121.6868	5.844	324	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)(H)2{1|N<3>,2|C<3>,2|C<4>,7|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	121.4460	0.000	1	121.4460	0.000	1	120.7061	3.916	120	121.6868	5.844	324	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]C[6]H)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<3>,1|P<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]C[6]H)(H)2{2|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	122.4475	0.900	2	123.4767	0.887	16	120.7061	3.916	120	121.6868	5.844	324	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]C[6]H)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<3>,1|P<4>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]C[6]H)(H)2{2|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	123.6237	0.880	14	123.4767	0.887	16	120.7061	3.916	120	121.6868	5.844	324	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]2H)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]2H)(H)2{1|H<1>,1|O<2>,2|C<3>,5|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.1810	0.000	1	120.1810	0.000	1	120.7061	3.916	120	121.6868	5.844	324	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2{1|C<4>,2|O<2>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	121.8655	0.241	4	121.9802	0.125	12	120.7061	3.916	120	121.6868	5.844	324	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2{1|N<3>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	122.2650	0.517	3	121.9802	0.125	12	120.7061	3.916	120	121.6868	5.844	324	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2{1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	121.7210	0.000	1	121.9802	0.125	12	120.7061	3.916	120	121.6868	5.844	324	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2{2|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	122.1555	0.187	2	121.9802	0.125	12	120.7061	3.916	120	121.6868	5.844	324	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2{2|O<2>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	121.7365	0.296	2	121.9802	0.125	12	120.7061	3.916	120	121.6868	5.844	324	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2{1|C<4>,2|O<2>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.5680	0.000	1	120.7575	0.072	2	120.7061	3.916	120	121.6868	5.844	324	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2{1|H<1>,1|O<2>,3|C<3>,3|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.9470	0.000	1	120.7575	0.072	2	120.7061	3.916	120	121.6868	5.844	324	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]2)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]2)(H)2{1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	121.5120	0.000	1	120.7187	1.033	3	120.7061	3.916	120	121.6868	5.844	324	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]2)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]2)(H)2{1|C<4>,1|N<3>,1|O<2>,2|H<1>,2|O<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	119.5730	0.000	1	120.7187	1.033	3	120.7061	3.916	120	121.6868	5.844	324	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]2)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]2)(H)2{1|C<4>,1|N<3>,4|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	121.0710	0.000	1	120.7187	1.033	3	120.7061	3.916	120	121.6868	5.844	324	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]2)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]2)(H)2{1|N<3>,1|O<2>,2|H<1>,2|O<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	119.1250	0.000	1	119.1250	0.000	1	120.7061	3.916	120	121.6868	5.844	324	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]2)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N)(H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]2)(H)2{1|C<4>,2|C<3>,2|H<1>,2|O<1>,3|N<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	118.6800	0.000	1	118.6800	0.000	1	120.7061	3.916	120	121.6868	5.844	324	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2{1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	119.3560	0.000	1	119.4613	0.349	4	120.7061	3.916	120	121.6868	5.844	324	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2{1|Cl<1>,1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	119.4963	0.719	3	119.4613	0.349	4	120.7061	3.916	120	121.6868	5.844	324	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]N[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]2H)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]N[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]2H)(H)2{1|N<2>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,3|H<1>}	123.2220	0.000	1	123.2220	0.000	1	120.7061	3.916	120	121.6868	5.844	324	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-1:	C[6,6a](C[6,6a]O[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]2H)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(O)	C[6,6a](C[6,6a]O[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]O){1|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]2H)(H)2{1|C<3>,1|O<1>,2|O<2>,5|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(O){1|O<2>,2|C<4>,3|H<1>}	118.2630	0.000	1	118.2630	0.000	1	118.2630	0.000	1	121.6868	5.844	324	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:N[6a]-3:O-1:	C[6,6a](C[6,6a]N[6a]N[6])(C[6]C[6,6]HH)(C[6a]N[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]H)(O)	C[6,6a](C[6,6a]N[6a]N[6])(C[6]C[6,6]HH)(C[6a]N[6a]O){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)(H)2{1|N<2>,2|C<4>,2|H<1>,2|N<3>,3|O<1>}	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]H)(O){1|C<4>,1|N<2>,1|N<3>,1|S<2>,2|H<1>}	120.2890	0.000	1	119.9810	0.190	2	119.9810	0.190	2	121.6868	5.844	324	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:N[6a]-3:O-1:	C[6,6a](C[6,6a]N[6a]N[6])(C[6]C[6,6]HH)(C[6a]N[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]H)(O)	C[6,6a](C[6,6a]N[6a]N[6])(C[6]C[6,6]HH)(C[6a]N[6a]O){1|H<1>,2|C<4>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)(H)2{1|N<2>,2|C<4>,2|H<1>,2|N<3>,3|O<1>}	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]H)(O){1|C<4>,1|N<2>,1|N<3>,1|O<2>,2|H<1>}	119.6730	0.000	1	119.9810	0.190	2	119.9810	0.190	2	121.6868	5.844	324	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:Br-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]BrH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]H)(Br)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]BrH)(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]H)(Br)(H){1|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	124.7700	0.000	1	124.7700	0.000	1	124.7700	0.000	1	121.6868	5.844	324	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:Cl-1:Cl-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6]Cl2)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HN)(Cl)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6]Cl2)(C[6a]C[6a]H){1|C<3>,1|N<2>,2|N<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HN)(Cl)2{1|H<1>,1|S<3>,1|S<4>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){2|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|S<3>}	122.6810	0.000	1	122.6810	0.000	1	122.6810	0.000	1	121.6868	5.844	324	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:Cl-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]ClH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]ClH)(Cl)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]ClH)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|C<4>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]ClH)(Cl)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	119.0550	0.000	1	118.5830	0.446	2	120.7534	6.319	5	121.6868	5.844	324	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:Cl-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]ClH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]ClH)(Cl)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]ClH)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|C<4>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]ClH)(Cl)(H){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	118.1110	0.000	1	118.5830	0.446	2	120.7534	6.319	5	121.6868	5.844	324	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:Cl-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]ClH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]H)(Cl)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]ClH)(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]H)(Cl)(H){1|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,2|C<3>,2|C<4>}	124.6590	0.000	1	124.6590	0.000	1	120.7534	6.319	5	121.6868	5.844	324	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:Cl-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]ClH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a]C[6]H)(Cl)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]ClH)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a]C[6]H)(Cl)(H){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	120.7970	0.000	1	120.7970	0.000	1	120.7534	6.319	5	121.6868	5.844	324	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:Cl-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6]ClH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(Cl)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6]ClH)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(Cl)(H){1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H){1|Cl<1>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	121.1450	0.000	1	121.1450	0.000	1	120.7534	6.319	5	121.6868	5.844	324	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[5,6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[5,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]B[6]C[5]2)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[5,6]HH)(C[6a]C[6a]H){1|B<4>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]B[6]C[5]2)(H)2{1|N<3>,2|C<3>,2|C<4>,2|F<1>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,1|N<4>,3|H<1>}	119.8560	0.000	1	119.8560	0.000	1	119.7752	0.514	5	121.6868	5.844	324	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[5,6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]Ga[5,6]C[5]C)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,6]HH)(C[6a]C[6a]H){1|Ga<5>,1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]Ga[5,6]C[5]C)(H)2{1|O<3>,3|C<3>,3|H<1>,3|O<2>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<4>,1|O<2>,3|H<1>}	119.8210	0.000	1	119.8210	0.000	1	119.7752	0.514	5	121.6868	5.844	324	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[5,6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]Ga[6]C[5]2)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,6]HH)(C[6a]C[6a]H){1|Ga<4>,1|C<3>,4|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]Ga[6]C[5]2)(H)2{1|Cl<1>,2|C<3>,2|O<2>,3|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|C<3>,1|N<4>,1|O<2>,3|H<1>}	118.6050	0.000	1	118.6050	0.000	1	119.7752	0.514	5	121.6868	5.844	324	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[5,6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]In[5,6]C[5]C)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,6]HH)(C[6a]C[6a]H){1|In<5>,1|C<3>,4|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]In[5,6]C[5]C)(H)2{2|Cl<1>,1|C<4>,1|N<4>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|C<3>,1|N<4>,1|O<2>,3|H<1>}	120.5540	0.000	1	120.5540	0.000	1	119.7752	0.514	5	121.6868	5.844	324	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[5,6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]In[6]C[5]2)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,6]HH)(C[6a]C[6a]H){1|In<4>,1|C<3>,4|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]In[6]C[5]2)(H)2{1|I<1>,2|C<3>,2|O<2>,3|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|C<3>,1|N<4>,1|O<2>,3|H<1>}	120.0400	0.000	1	120.0400	0.000	1	119.7752	0.514	5	121.6868	5.844	324	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[6,6]C[6]C)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[6,6]HH)(C[6a]C[6a]H){1|B<4>,1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[6,6]C[6]C)(H)2{2|O<2>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<4>,1|O<2>,3|H<1>}	119.3095	0.429	2	119.3430	0.075	4	119.3430	0.075	4	121.6868	5.844	324	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[6,6]C[6]C)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[6,6]HH)(C[6a]C[6a]H){1|B<4>,1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[6,6]C[6]C)(H)2{3|C<3>,3|H<1>,3|O<2>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<4>,1|O<2>,3|H<1>}	119.3765	0.190	2	119.3430	0.075	4	119.3430	0.075	4	121.6868	5.844	324	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:Si[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]Si[6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(Si[6]C[6]CC)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]Si[6]HH)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(Si[6]C[6]CC)(H)2{1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|Si<4>,2|C<3>,3|H<1>}	119.8540	0.000	1	120.1193	0.058	3	120.6107	1.004	4	121.6868	5.844	324	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:Si[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]Si[6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(Si[6]C[6]CC)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]Si[6]HH)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(Si[6]C[6]CC)(H)2{2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|Si<4>,2|C<3>,3|H<1>}	120.2520	0.098	2	120.1193	0.058	3	120.6107	1.004	4	121.6868	5.844	324	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:Si[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6]Si[6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(Si[6]C[5a,6]CC)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6]Si[6]HH)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(Si[6]C[5a,6]CC)(H)2{1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|Si<4>,1|C<3>,1|N<3>,3|H<1>}	122.0850	0.000	1	122.0850	0.000	1	120.6107	1.004	4	121.6868	5.844	324	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]O[5,6]C[5]H)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]O){1|C<4>,2|C<3>,2|H<1>,3|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]O[5,6]C[5]H)(H)2{1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC){1|C<3>,2|C<4>,3|H<1>}	120.3226	0.512	5	120.3226	0.262	5	119.5276	1.080	12	119.2860	1.447	37	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]O){1|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(H)2{1|O<2>,2|H<1>,3|C<3>,3|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,2|C<4>,3|H<1>}	118.5900	0.497	3	118.5900	0.247	3	119.5276	1.080	12	119.2860	1.447	37	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]O){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2{1|O<2>,2|H<1>,3|C<3>,3|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,2|C<4>,3|H<1>}	118.0630	0.000	1	118.2180	0.048	2	119.5276	1.080	12	119.2860	1.447	37	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]O){1|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2{1|N<3>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,2|C<4>,3|H<1>}	118.3730	0.000	1	118.2180	0.048	2	119.5276	1.080	12	119.2860	1.447	37	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]HH)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]HH)(C[6a]C[6a]O){1|H<1>,2|C<3>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2{2|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OH){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	120.2560	0.051	2	120.2560	0.003	2	119.5276	1.080	12	119.2860	1.447	37	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]O){2|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2{1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH){1|C<3>,2|C<4>,3|H<1>}	116.9300	0.000	1	116.9300	0.000	1	119.4452	1.407	21	119.2860	1.447	37	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]H)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]O){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]H)(H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC){1|C<3>,2|C<4>,3|H<1>}	119.4470	0.000	1	119.4470	0.000	1	119.4452	1.407	21	119.2860	1.447	37	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]H)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OH)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]O){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]H)(H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OH){1|C<3>,2|C<4>,3|H<1>}	119.3760	0.156	2	119.3760	0.024	2	119.4452	1.407	21	119.2860	1.447	37	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]O[6,6]C[6]H)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]O){2|C<3>,2|O<2>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]O[6,6]C[6]H)(H)2{1|C<4>,1|N<2>,1|N<3>,1|O<2>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,2|C<4>,3|H<1>}	120.7310	0.000	1	120.7310	0.000	1	119.4452	1.407	21	119.2860	1.447	37	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]O[6,6]C[6]H)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]O){1|N<3>,2|C<3>,2|H<1>,3|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]O[6,6]C[6]H)(H)2{1|C<4>,1|N<2>,1|N<3>,1|O<2>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC){1|C<3>,2|C<4>,3|H<1>}	118.2100	0.000	1	118.9688	0.393	4	119.4452	1.407	21	119.2860	1.447	37	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]O[6,6]C[6]H)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]O){2|H<1>,3|C<3>,3|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]O[6,6]C[6]H)(H)2{1|C<4>,1|N<2>,1|N<3>,1|O<2>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC){1|C<3>,2|C<4>,3|H<1>}	119.2217	0.454	3	118.9688	0.393	4	119.4452	1.407	21	119.2860	1.447	37	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]O){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2{1|O<2>,2|H<1>,3|C<3>,3|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,2|C<4>,3|H<1>}	119.0730	0.196	6	119.0730	0.038	6	119.4452	1.407	21	119.2860	1.447	37	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2N[6])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]O){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2N[6])(H)2{1|N<3>,1|O<2>,2|C<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<4>,2|C<3>,3|H<1>}	122.2340	0.000	1	122.2340	0.000	1	119.4452	1.407	21	119.2860	1.447	37	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]O){1|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)(H)2{1|O<2>,3|C<3>,4|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,2|C<4>,3|H<1>}	118.4680	0.133	2	118.4680	0.018	2	119.4452	1.407	21	119.2860	1.447	37	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]HH)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]C[6]C)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OC)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]HH)(C[6a]C[6a]O){3|C<3>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]C[6]C)(H)2{1|C<4>,1|O<1>,3|C<3>,3|O<2>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OC){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	121.1590	0.000	1	121.1590	0.000	1	119.4452	1.407	21	119.2860	1.447	37	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]HH)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]C[6]C)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]HH)(C[6a]C[6a]O){3|C<3>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]C[6]C)(H)2{1|C<4>,1|O<1>,3|C<3>,3|O<2>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OH){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	120.9230	0.000	1	120.9230	0.000	1	119.4452	1.407	21	119.2860	1.447	37	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]HH)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]2H)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]HH)(C[6a]C[6a]O){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]2H)(H)2{2|C<3>,2|O<2>,5|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OH){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	120.9240	0.000	1	120.9240	0.000	1	119.4452	1.407	21	119.2860	1.447	37	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[6,6]HH)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6]H)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[6,6]HH)(C[6a]C[6a]O){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6]H)(H)2{1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|N<4>,3|H<1>}	117.8820	0.639	3	117.8820	0.409	3	117.7258	0.370	4	119.2860	1.447	37	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[6,6]HH)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6]H)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[6,6]HH)(C[6a]C[6a]O){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6]H)(H)2{1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OH){1|C<3>,1|C<4>,1|N<4>,3|H<1>}	117.2570	0.000	1	117.2570	0.000	1	117.7258	0.370	4	119.2860	1.447	37	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[3x6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]2)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]N[6]H)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[3x6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]2){1|N<3>,1|O<2>,2|H<1>,3|C<3>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]N[6]H)(H)2{1|H<1>,3|C<4>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]C[6a])(C[6a]C[6a]H){1|O<2>,3|C<3>,3|C<4>,3|H<1>}	117.7485	0.480	4	117.7485	0.231	4	117.7485	0.231	4	118.7258	4.949	5	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:N-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]N)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2N[6])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NCC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]N){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2N[6])(H)2{2|C<4>,2|H<1>,2|N<3>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NCC){1|C<4>,2|C<3>,3|H<1>}	122.6350	0.000	1	122.6350	0.000	1	122.6350	0.000	1	118.7258	4.949	5	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]O[5,6]C[5]H)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(CH3)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]C){1|C<3>,2|C<4>,2|H<1>,3|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]O[5,6]C[5]H)(H)2{1|H<1>,3|C<3>,3|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(CH3){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	120.7630	0.000	1	120.7630	0.000	1	121.6684	0.259	7	121.6684	0.259	7	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]C){1|O<1>,2|C<3>,2|C<4>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(H)2{1|O<2>,2|C<4>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(CH3){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	122.4280	0.000	1	122.4280	0.000	1	121.6684	0.259	7	121.6684	0.259	7	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]HH)(C[6a]C[6a]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CH3)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]HH)(C[6a]C[6a]C){1|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2{1|H<1>,1|O<2>,3|C<3>,4|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	121.7530	0.000	1	121.7575	0.000	2	121.6684	0.259	7	121.6684	0.259	7	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]HH)(C[6a]C[6a]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CH3)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]HH)(C[6a]C[6a]C){1|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2{1|H<1>,2|C<3>,2|O<2>,4|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	121.7620	0.000	1	121.7575	0.000	2	121.6684	0.259	7	121.6684	0.259	7	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]O[5,6]C[5]H)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CH3)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]C){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]O[5,6]C[5]H)(H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CH3){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	121.8025	0.131	2	121.6577	0.071	3	121.6684	0.259	7	121.6684	0.259	7	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]O[5,6]C[5]H)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CH3)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]C){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]O[5,6]C[5]H)(H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	121.3680	0.000	1	121.6577	0.071	3	121.6684	0.259	7	121.6684	0.259	7	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:2:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[3,6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[3,6]HO)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]O[3]C)(OC)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[3,6]HO)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]O[3]C)(OC)(H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	120.2370	0.000	1	120.2370	0.000	1	120.9927	2.731	3	120.9120	1.927	42	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:2:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[3,6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[3,6]HO)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]O[3]H)(OC)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[3,6]HO)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]O[3]H)(OC)(H){1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	119.8530	0.000	1	119.8530	0.000	1	120.9927	2.731	3	120.9120	1.927	42	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:2:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[3,6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[3,6]HO)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]C[3]C)(OH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[3,6]HO)(C[6a]C[6a]H){1|H<1>,1|S<4>,2|C<3>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]C[3]C)(OH)(H){1|N<3>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	122.8880	0.000	1	122.8880	0.000	1	120.9927	2.731	3	120.9120	1.927	42	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:2:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]CH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(CN)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]CH)(C[6a]C[6a]H){1|C<3>,1|S<4>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(CN)(H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	122.7770	0.000	1	122.7770	0.000	1	122.7770	0.000	1	120.9120	1.927	42	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:2:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6]HO)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(OH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6]HO)(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(OH)(H){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	119.8700	0.000	1	119.8700	0.000	1	120.4440	2.166	17	120.9120	1.927	42	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:2:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6]HO)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]C)(OH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6]HO)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]C)(OH)(H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	119.4420	0.000	1	119.4420	0.000	1	120.4440	2.166	17	120.9120	1.927	42	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:2:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6]HO)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]C)(OSi)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6]HO)(C[6a]C[6a]H){1|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]C)(OSi)(H){2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	119.7860	0.731	2	119.7860	0.535	2	120.4440	2.166	17	120.9120	1.927	42	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:2:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6]HO)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]H)(OC)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6]HO)(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]H)(OC)(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	119.9050	0.000	1	119.9050	0.000	1	120.4440	2.166	17	120.9120	1.927	42	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:2:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HO)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(OC)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HO)(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(OC)(H){2|C<3>,3|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	123.0375	0.875	2	123.0375	0.765	2	120.4440	2.166	17	120.9120	1.927	42	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:2:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HO)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(OSi)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HO)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(OSi)(H){2|C<3>,3|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	120.2930	0.000	1	120.2930	0.000	1	120.4440	2.166	17	120.9120	1.927	42	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:2:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HO)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]O)(OC)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HO)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]O)(OC)(H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	116.9340	0.000	1	116.9340	0.000	1	120.4440	2.166	17	120.9120	1.927	42	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:2:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HO)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])(OC[6])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HO)(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])(OC[6])(H){1|C<4>,4|C<3>,7|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	120.4645	0.146	2	120.4645	0.021	2	120.4440	2.166	17	120.9120	1.927	42	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:2:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]HO)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(OH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]HO)(C[6a]C[6a]H){1|C<2>,1|C<3>,1|H<1>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(OH)(H){1|C<4>,2|H<1>,2|O<2>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	119.9300	0.000	1	119.9300	0.000	1	120.4440	2.166	17	120.9120	1.927	42	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:2:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]HO)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(OH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]HO)(C[6a]C[6a]H){1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(OH)(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	120.9010	0.314	2	120.9010	0.099	2	120.4440	2.166	17	120.9120	1.927	42	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:2:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[5,6]HO)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]S[5]H)(OH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[5,6]HO)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|S<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]S[5]H)(OH)(H){1|S<2>,2|H<1>,2|O<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,1|S<2>,2|H<1>}	122.3890	0.000	1	122.3890	0.000	1	120.4440	2.166	17	120.9120	1.927	42	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:2:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[5,6]HO)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])(OH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[5,6]HO)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])(OH)(H){1|O<1>,1|S<2>,2|C<4>,3|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,1|S<2>,2|H<1>}	120.2035	0.607	2	120.2035	0.369	2	120.4440	2.166	17	120.9120	1.927	42	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:2:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5]-4:O[6]-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5]O[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]2Fe)(O[6]C[6])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5]O[6]H)(C[6a]C[6a]H){1|Fe<10>,1|C<3>,3|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]2Fe)(O[6]C[6])(H){2|C<3>,3|C<4>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	120.9300	0.000	1	120.9300	0.000	1	120.9300	0.000	1	120.9120	1.927	42	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:2:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]CH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(CC)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]CH)(C[6a]C[6a]H){1|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(CC)(H){1|N<3>,1|O<2>,1|S<2>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	121.8060	0.000	1	121.8060	0.000	1	121.8060	0.000	1	120.9120	1.927	42	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:2:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HO)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(OC)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HO)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(OC)(H){1|C<4>,4|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	122.0020	0.361	2	122.0020	0.130	2	120.6370	1.469	11	120.9120	1.927	42	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:2:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HO)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(OH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HO)(C[6a]C[6a]H){2|C<4>,2|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(OH)(H){2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	119.5840	0.000	1	119.5840	0.000	1	120.6370	1.469	11	120.9120	1.927	42	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:2:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HO)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(OH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HO)(C[6a]C[6a]H){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(OH)(H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.3820	0.000	1	120.3820	0.000	1	120.6370	1.469	11	120.9120	1.927	42	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:2:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HO)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(OH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HO)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<1>,2|C<4>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(OH)(H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.4547	0.621	3	120.3000	0.353	4	120.6370	1.469	11	120.9120	1.927	42	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:2:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HO)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(OH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HO)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<1>,2|C<4>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(OH)(H){2|C<4>,3|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	119.8360	0.000	1	120.3000	0.353	4	120.6370	1.469	11	120.9120	1.927	42	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:2:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HO)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)(OH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HO)(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)(OH)(H){1|C<4>,1|O<1>,4|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	119.7990	0.000	1	119.4635	0.225	2	120.6370	1.469	11	120.9120	1.927	42	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:2:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HO)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)(OH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HO)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)(OH)(H){1|O<2>,2|C<4>,4|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	119.1280	0.000	1	119.4635	0.225	2	120.6370	1.469	11	120.9120	1.927	42	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:2:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6]HO)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(OH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6]HO)(C[6a]C[6a]H){1|C<4>,1|O<2>,1|S<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(OH)(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	122.9100	0.000	1	122.9100	0.000	1	120.6370	1.469	11	120.9120	1.927	42	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:2:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:N[6]-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]N[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6]H)(N[6]C[6])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]N[6]H)(C[6a]C[6a]H){1|Br<1>,1|C<4>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6]H)(N[6]C[6])(H){1|C<4>,1|H<1>,1|N<2>,2|S<2>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	123.5040	0.000	1	123.5040	0.000	1	122.1840	3.485	2	120.9120	1.927	42	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:2:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:N[6]-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6]N[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H)(N[6]S[6])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6]N[6]H)(C[6a]C[6a]H){1|C<3>,1|S<4>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H)(N[6]S[6])(H){1|N<4>,1|O<2>,2|C<3>,2|C<4>,2|O<1>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,1|O<2>,2|H<1>}	120.8640	0.000	1	120.8640	0.000	1	122.1840	3.485	2	120.9120	1.927	42	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:2:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:O[6]-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]O[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6]O)(O[6]C[6])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]O[6]H)(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6]O)(O[6]C[6])(H){1|C<4>,1|H<1>,2|O<2>,6|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	121.4100	0.000	1	122.0033	0.265	3	121.5798	0.521	5	120.9120	1.927	42	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:2:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:O[6]-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]O[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6]O)(O[6]C[6])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]O[6]H)(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6]O)(O[6]C[6])(H){1|C<4>,1|O<2>,2|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	122.2620	0.000	1	122.0033	0.265	3	121.5798	0.521	5	120.9120	1.927	42	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:2:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:O[6]-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]O[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6]O)(O[6]C[6])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]O[6]H)(C[6a]C[6a]H){2|H<1>,2|O<2>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6]O)(O[6]C[6])(H){1|C<4>,1|H<1>,1|O<2>,6|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	122.3380	0.000	1	122.0033	0.265	3	121.5798	0.521	5	120.9120	1.927	42	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:2:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:O[6]-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]O[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O[6]H)(O[6]C[6])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]O[6]H)(C[6a]C[6a]H){2|O<2>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O[6]H)(O[6]C[6])(H){1|C<4>,1|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.9445	0.457	2	120.9445	0.209	2	121.5798	0.521	5	120.9120	1.927	42	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:2:1:	3:3:1:	N[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](N[6,6a]C[5,6]C[6a])(C[6]C[5,6]HO)(C[6a]C[6a]H)	C[6](C[6,6a]N[6,6a]C[6a])(C[5,6]O[5,6]C[5]H)(OH)(H)	C[6a](C[6,6a]N[6,6a]C[6])(C[6a]N[6a]O)(H)	C[6,6a](N[6,6a]C[5,6]C[6a])(C[6]C[5,6]HO)(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<4>,2|H<1>,2|O<1>}	C[6](C[6,6a]N[6,6a]C[6a])(C[5,6]O[5,6]C[5]H)(OH)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]N[6,6a]C[6])(C[6a]N[6a]O)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	122.9910	0.000	1	122.9910	0.000	1	122.9910	0.000	1	120.9120	1.927	42	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:2:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[3,6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[3,6]HO)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]O[3]H)(OC)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[3,6]HO)(C[6a]C[6a]O){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]O[3]H)(OC)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	116.5240	0.000	1	116.5240	0.000	1	117.0210	0.494	2	118.6089	2.468	16	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:2:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[3,6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[3,6]HO)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]O[3]H)(OH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[3,6]HO)(C[6a]C[6a]O){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]O[3]H)(OH)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	117.5180	0.000	1	117.5180	0.000	1	117.0210	0.494	2	118.6089	2.468	16	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:2:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HO)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(OH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HO)(C[6a]C[6a]O){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(OH)(H){1|O<1>,1|O<2>,2|C<3>,4|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	117.5500	0.293	2	118.1973	1.300	3	117.9998	1.023	4	118.6089	2.468	16	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:2:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HO)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(OH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HO)(C[6a]C[6a]O){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(OH)(H){1|O<2>,2|C<3>,2|H<1>,4|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	119.4920	0.000	1	118.1973	1.300	3	117.9998	1.023	4	118.6089	2.468	16	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:2:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HO)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(OC)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HO)(C[6a]C[6a]O){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(OC)(H){1|H<1>,2|C<3>,2|O<2>,4|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	117.4070	0.000	1	117.4070	0.000	1	117.9998	1.023	4	118.6089	2.468	16	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:2:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HO)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(OH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HO)(C[6a]C[6a]O){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(OH)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>,3|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	117.9905	0.156	2	118.2860	0.079	7	119.1702	2.642	10	118.6089	2.468	16	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:2:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HO)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(OH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HO)(C[6a]C[6a]O){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(OH)(H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	118.3705	0.248	4	118.2860	0.079	7	119.1702	2.642	10	118.6089	2.468	16	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:2:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HO)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(OH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HO)(C[6a]C[6a]O){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(OH)(H){1|O<2>,2|C<3>,6|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	118.5390	0.000	1	118.2860	0.079	7	119.1702	2.642	10	118.6089	2.468	16	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:2:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HO)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(OH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HO)(C[6a]C[6a]O){1|C<3>,1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(OH)(H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	122.0305	1.118	2	122.0305	1.250	2	119.1702	2.642	10	118.6089	2.468	16	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:2:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HO)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]O)(OH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HO)(C[6a]C[6a]O){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]O)(OH)(H){1|C<4>,2|H<1>,2|O<2>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	119.6390	0.000	1	119.6390	0.000	1	119.1702	2.642	10	118.6089	2.468	16	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:2:2:	3:3:1:	C[5,6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C-2:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6,6a]C[5,6,6]C[5,6a])(C[6]C[5,6]CO)(C[6a]C[6a]H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6,6]C[5]C)(CC)(OH)	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6,6a]C[5,6,6]C[5,6a])(C[6]C[5,6]CO)(C[6a]C[6a]H){2|H<1>,3|C<3>,3|C<4>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6,6]C[5]C)(CC)(OH){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,1|H<1>,1|O<2>,2|C<4>}	125.7060	0.055	2	125.7060	0.003	2	125.7060	0.003	2	125.7060	0.003	2	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:3:1:	3:2:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[3,6]-4:C[6a]-3:H-1:	C[6,6a]-3:O[6a]-2:O-1:	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[3,6]C[6a]H)(C[6a]O[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]N[3]C)(C[6a]C[6a]2)(H)	C[6a](C[6,6a]C[6,6a]C[6])(O[6a]C[6a,6a])(O)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[3,6]C[6a]H)(C[6a]O[6a]O){1|C<2>,1|C<4>,1|N<3>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]N[3]C)(C[6a]C[6a]2)(H){1|O<1>,3|C<3>,3|H<1>,3|O<2>}	C[6a](C[6,6a]C[6,6a]C[6])(O[6a]C[6a,6a])(O){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	116.1730	0.615	2	116.1730	0.378	2	116.1730	0.378	2	117.0085	0.561	6	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:3:1:	3:2:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[6,6a]-3:O[6a]-2:O-1:	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[5,6]C[6a]H)(C[6a]O[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6,6a]C[6,6a]C[6])(O[6a]C[6a,6a])(O)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[5,6]C[6a]H)(C[6a]O[6a]O){1|H<1>,2|C<4>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<1>,2|O<2>,3|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(O[6a]C[6a,6a])(O){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	117.5365	0.532	2	117.5365	0.284	2	117.5365	0.284	2	117.0085	0.561	6	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:3:1:	3:2:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6a]-3:H-1:	C[6,6a]-3:O[6a]-2:O-1:	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6,6]C[6a]H)(C[6a]O[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(H)	C[6a](C[6,6a]C[6,6a]C[6])(O[6a]C[6a,6a])(O)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6,6]C[6a]H)(C[6a]O[6a]O){1|C<4>,1|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(H){2|C<4>,2|O<1>,2|O<2>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(O[6a]C[6a,6a])(O){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	117.3160	0.040	2	117.3160	0.002	2	117.3160	0.002	2	117.0085	0.561	6	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:3:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[3,6]-4:N-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[3,6]HN)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]C[3]C)(NC[6a]H)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[3,6]HN)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]C[3]C)(NC[6a]H)(H){1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	121.4470	0.000	1	121.4470	0.000	1	121.4470	0.000	1	120.6930	4.820	122	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:3:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]CH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(COO)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]CH)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(COO)(H){1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	120.0040	0.000	1	120.0040	0.000	1	123.3442	5.668	6	120.6930	4.820	122	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:3:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]CH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H)(COO)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]CH)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H)(COO)(H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|C<4>,2|H<1>,3|C<3>}	123.2490	0.000	1	123.2490	0.000	1	123.3442	5.668	6	120.6930	4.820	122	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:3:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]CH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(CCH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]CH)(C[6a]C[6a]H){1|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(CCH)(H){1|N<4>,2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<4>,1|O<2>,2|C<3>}	121.4720	0.000	1	121.4720	0.000	1	123.3442	5.668	6	120.6930	4.820	122	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:3:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]CH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])(CCC)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]CH)(C[6a]C[6a]H){1|C<4>,1|S<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])(CCC)(H){1|C<4>,1|N<2>,1|N<3>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	124.1440	0.000	1	124.1440	0.000	1	123.3442	5.668	6	120.6930	4.820	122	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:3:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]CH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]2H)(CCH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]CH)(C[6a]C[6a]H){1|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]2H)(CCH)(H){1|C<4>,2|H<1>,2|O<2>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	125.5980	1.694	2	125.5980	2.870	2	123.3442	5.668	6	120.6930	4.820	122	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:3:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C-3:H-1:	C[6,6a]-3:C[6a]-3:O-1:	C[6,6a](C[6,6a]S[6a]C[6])(C[6]C[5,6]CH)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(CCH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N)(O)	C[6,6a](C[6,6a]S[6a]C[6])(C[6]C[5,6]CH)(C[6a]C[6a]O){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(CCH)(H){1|C<3>,1|O<1>,1|S<2>,2|H<1>,4|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N)(O){1|C<3>,1|S<2>,2|C<4>,2|H<1>}	115.7765	0.400	8	115.7765	0.160	8	115.7765	0.160	8	120.6930	4.820	122	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:3:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[6]-3:H-1:	C[5,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]C[6]H)(C[6a]C[5,6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]O)(C[6]C[6]2)(H)	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]C[6]H)(C[6a]C[5,6a]H){1|C<2>,1|C<4>,2|O<2>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]O)(C[6]C[6]2)(H){1|O<1>,1|O<2>,2|C<4>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	116.8550	0.000	1	116.8550	0.000	1	116.8550	0.000	1	120.6930	4.820	122	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:3:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[5,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6]C[6a]H)(C[6a]C[5,6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6]C[6a]H)(C[6a]C[5,6a]H){2|C<4>,2|O<2>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H){1|O<2>,2|C<4>,4|C<3>,6|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	119.5420	0.000	1	119.5420	0.000	1	119.5420	0.000	1	120.6930	4.820	122	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:3:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6]C[5,6]C[6a]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]H)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6]C[5,6]C[6a]H)(C[6a]C[6a]H){1|C<4>,1|O<2>,3|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,2|C<4>,4|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	115.8050	0.000	1	115.8050	0.000	1	115.8050	0.000	1	120.6930	4.820	122	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:3:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[6a]-3:O-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6]C[6a]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6]C[6a]O)(C[6a]C[6a]H){2|C<4>,2|O<2>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(O){2|C<4>,2|O<2>,4|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>}	119.3080	0.000	1	119.3080	0.000	1	119.3080	0.000	1	120.6930	4.820	122	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:3:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:N-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]HN)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(NC[6a]H)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]HN)(C[6a]C[6a]H){1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(NC[6a]H)(H){1|C<4>,2|C<3>,2|O<2>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	125.6000	0.000	1	125.6000	0.000	1	125.6000	0.000	1	120.6930	4.820	122	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:3:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5]-4:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[6]C[6]C)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5]C[6]H)(C[6a]C[6a]H){1|Cl<1>,1|C<2>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[6]C[6]C)(H){1|H<1>,1|O<1>,1|O<2>,2|N<3>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	121.6650	0.000	1	121.6650	0.000	1	122.0621	0.260	8	120.6930	4.820	122	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:3:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5]-4:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[6]C[6]C)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5]C[6]H)(C[6a]C[6a]H){1|C<2>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[6]C[6]C)(H){1|H<1>,1|O<1>,1|O<2>,2|N<3>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	122.0790	0.267	2	122.0790	0.071	2	122.0621	0.260	8	120.6930	4.820	122	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:3:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5]-4:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[6]C[6]C)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5]C[6]H)(C[6a]C[6a]H){1|C<2>,1|N<3>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[6]C[6]C)(H){1|H<1>,1|O<1>,1|O<2>,2|N<3>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	122.4070	0.000	1	122.4070	0.000	1	122.0621	0.260	8	120.6930	4.820	122	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:3:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5]-4:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]O[5]C)(C[6]C[6]C)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5]C[6]H)(C[6a]C[6a]H){1|C<2>,1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]O[5]C)(C[6]C[6]C)(H){1|N<3>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	122.3740	0.000	1	122.3740	0.000	1	122.0621	0.260	8	120.6930	4.820	122	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:3:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5]-4:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]O[5]C)(C[6]C[6]C)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5]C[6]H)(C[6a]C[6a]H){1|C<2>,1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]O[5]C)(C[6]C[6]C)(H){1|N<3>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	122.5690	0.000	1	122.5690	0.000	1	122.0621	0.260	8	120.6930	4.820	122	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:3:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5]-4:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]O[5]H)(C[6]C[6]C)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5]C[6]H)(C[6a]C[6a]H){1|C<2>,1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]O[5]H)(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	121.0310	0.000	1	121.0310	0.000	1	122.0621	0.260	8	120.6930	4.820	122	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:3:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5]-4:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]O[5]H)(C[6]C[6]C)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5]C[6]H)(C[6a]C[6a]H){1|C<2>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]O[5]H)(C[6]C[6]C)(H){1|N<3>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	122.2930	0.000	1	122.2930	0.000	1	122.0621	0.260	8	120.6930	4.820	122	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:3:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5]-4:N[6]-3:H-1:	C[5,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5]N[6]H)(C[6a]C[5,6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]O[5]H)(N[6]C[6]C)(H)	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5]N[6]H)(C[6a]C[5,6a]H){2|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]O[5]H)(N[6]C[6]C)(H){2|C<4>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,3|C<4>}	118.5320	0.686	2	118.5320	0.470	2	118.5320	0.470	2	120.6930	4.820	122	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:3:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5]-4:N[6]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[5]N[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]O[5]H)(N[6]C[6,6a]C)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[5]N[6]H)(C[6a]C[6a]H){1|O<2>,3|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]O[5]H)(N[6]C[6,6a]C)(H){2|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	119.9930	0.000	1	119.9930	0.000	1	120.1032	0.944	13	120.6930	4.820	122	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:3:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5]-4:N[6]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5]N[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]C[5]O)(N[6]C[6a]C[6])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5]N[6]H)(C[6a]C[6a]H){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]C[5]O)(N[6]C[6a]C[6])(H){1|C<4>,1|N<3>,1|O<1>,3|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	119.2660	0.826	2	119.2660	0.682	2	120.1032	0.944	13	120.6930	4.820	122	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:3:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5]-4:N[6]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5]N[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]O[5]H)(N[6]C[6]C)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5]N[6]H)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]O[5]H)(N[6]C[6]C)(H){2|C<4>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	119.9695	0.237	2	119.9695	0.056	2	120.1032	0.944	13	120.6930	4.820	122	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:3:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5]-4:N[6]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5]N[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]N[5]C)(N[6]C[6]C)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5]N[6]H)(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|N<2>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]N[5]C)(N[6]C[6]C)(H){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	119.0435	0.463	2	119.8990	2.303	3	120.1032	0.944	13	120.6930	4.820	122	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:3:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5]-4:N[6]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5]N[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]N[5]C)(N[6]C[6]C)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5]N[6]H)(C[6a]C[6a]H){1|C<4>,1|N<2>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]N[5]C)(N[6]C[6]C)(H){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	121.6100	0.000	1	119.8990	2.303	3	120.1032	0.944	13	120.6930	4.820	122	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:3:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5]-4:N[6]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5]N[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]N[5]H)(N[6]C[6]C)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5]N[6]H)(C[6a]C[6a]H){1|N<3>,1|O<2>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]N[5]H)(N[6]C[6]C)(H){3|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	120.3760	0.000	1	120.3760	0.000	1	120.1032	0.944	13	120.6930	4.820	122	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:3:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5]-4:N[6]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5]N[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]O[5]C)(N[6]C[6a]C[6])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5]N[6]H)(C[6a]C[6a]H){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]O[5]C)(N[6]C[6a]C[6])(H){1|C<4>,1|N<2>,1|O<1>,3|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	119.4650	0.000	1	119.4650	0.000	1	120.1032	0.944	13	120.6930	4.820	122	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:3:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5]-4:N[6]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5]N[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]O[5]H)(N[6]N[6]C)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5]N[6]H)(C[6a]C[6a]H){1|N<2>,1|O<2>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]O[5]H)(N[6]N[6]C)(H){2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	121.8550	0.000	1	121.8550	0.000	1	120.1032	0.944	13	120.6930	4.820	122	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:3:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5]-4:N[6]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5]N[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]N[5]H)(N[6]C[6]C)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5]N[6]H)(C[6a]C[6a]H){1|N<3>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]N[5]H)(N[6]C[6]C)(H){1|N<2>,3|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	120.8860	0.000	1	120.8860	0.000	1	120.1032	0.944	13	120.6930	4.820	122	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:3:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5]-4:N[6]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5]N[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]C[5]F)(N[6]S[6]C)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5]N[6]H)(C[6a]C[6a]H){1|C<4>,1|F<1>,1|S<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]C[5]F)(N[6]S[6]C)(H){1|H<1>,1|N<3>,1|O<2>,3|O<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	120.5990	0.000	1	120.5990	0.000	1	120.1032	0.944	13	120.6930	4.820	122	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:3:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]CH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(CC[6a]O)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]CH)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(CC[6a]O)(H){1|C<4>,3|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	118.3350	0.000	1	118.3350	0.000	1	121.6073	8.555	3	120.6930	4.820	122	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:3:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]CH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O[6])(COO)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]CH)(C[6a]C[6a]H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O[6])(COO)(H){2|C<4>,3|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	122.5200	0.000	1	122.5200	0.000	1	121.6073	8.555	3	120.6930	4.820	122	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:3:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6]CH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)(CCH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6]CH)(C[6a]C[6a]H){1|C<4>,1|S<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)(CCH)(H){2|H<1>,2|O<1>,3|C<3>,3|N<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	123.9670	0.000	1	123.9670	0.000	1	121.6073	8.555	3	120.6930	4.820	122	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:3:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:N-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]HN)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(NC[6a]H)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]HN)(C[6a]C[6a]H){1|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(NC[6a]H)(H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	121.6710	0.000	1	121.8270	0.049	2	121.8270	0.049	2	120.6930	4.820	122	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:3:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:N-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]HN)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(NC[6a]H)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]HN)(C[6a]C[6a]H){1|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(NC[6a]H)(H){2|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	121.9830	0.000	1	121.8270	0.049	2	121.8270	0.049	2	120.6930	4.820	122	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:3:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:B[5]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]B[5]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(B[5]O[5]2)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]B[5]C[6]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|O<2>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(B[5]O[5]2)(H){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	121.5930	0.000	1	121.5930	0.000	1	121.5930	0.000	1	120.6930	4.820	122	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:3:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[5,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[5,6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H)	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[5,6a]H){1|O<2>,2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,3|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H){1|H<1>,2|C<3>,2|C<4>,2|O<2>}	122.2440	0.000	1	122.2440	0.000	1	122.2440	0.000	1	120.6930	4.820	122	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:3:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:F-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]F)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(C[6a]C[6a]2)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(F)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]F){1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(C[6a]C[6a]2)(H){1|C<4>,1|F<1>,2|H<1>,7|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(F){1|C<4>,2|H<1>,3|C<3>}	121.3060	0.000	1	121.3060	0.000	1	121.3060	0.000	1	120.6930	4.820	122	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:3:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]CH)(C[6a]C[6a]2)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]CH)(C[6a]C[6a]2)(H){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	119.1920	0.000	1	119.1920	0.000	1	121.3455	2.098	43	120.6930	4.820	122	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:3:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[3,6]CH)(C[6a]C[6a]2)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<2>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[3,6]CH)(C[6a]C[6a]2)(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	123.2285	0.672	2	123.1700	0.236	3	121.3455	2.098	43	120.6930	4.820	122	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:3:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[3,6]CH)(C[6a]C[6a]2)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<4>,1|N<4>,1|O<2>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[3,6]CH)(C[6a]C[6a]2)(H){1|O<2>,2|C<4>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	123.0530	0.000	1	123.1700	0.236	3	121.3455	2.098	43	120.6930	4.820	122	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:3:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]2)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|N<3>,2|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]2)(H){2|C<4>,3|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	123.5280	0.000	1	123.5280	0.000	1	121.3455	2.098	43	120.6930	4.820	122	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:3:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]2)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]2)(H){3|H<1>,7|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	120.2710	0.000	1	120.2710	0.000	1	121.3455	2.098	43	120.6930	4.820	122	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:3:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]2)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<4>,1|N<2>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]2)(H){1|O<2>,4|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	120.7350	0.000	1	119.8865	1.440	2	121.3455	2.098	43	120.6930	4.820	122	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:3:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]2)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<4>,4|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]2)(H){1|C<4>,3|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	119.0380	0.000	1	119.8865	1.440	2	121.3455	2.098	43	120.6930	4.820	122	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:3:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]C[6a]H)(C[6a]C[6a]2)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]C[6a]H)(C[6a]C[6a]2)(H){2|C<4>,3|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	119.3300	0.000	1	119.3300	0.000	1	121.3455	2.098	43	120.6930	4.820	122	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:3:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(C[6a]C[6a]2)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){4|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(C[6a]C[6a]2)(H){3|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	123.1150	0.000	1	123.1150	0.000	1	121.3455	2.098	43	120.6930	4.820	122	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:3:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]ClC)(C[6a]C[6a]2)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]H)(H)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|Cl<1>,1|C<2>,1|C<4>,1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]ClC)(C[6a]C[6a]2)(H){1|N<2>,2|O<2>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]H)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	120.9080	0.000	1	120.9080	0.000	1	121.3455	2.098	43	120.6930	4.820	122	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:3:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]2)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]2)(H){2|C<4>,3|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	119.4040	0.000	1	119.4040	0.000	1	121.3455	2.098	43	120.6930	4.820	122	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:3:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<4>,3|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H){3|H<1>,8|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|C<4>,2|H<1>,3|C<3>}	122.3410	1.044	2	122.3410	1.089	2	121.3455	2.098	43	120.6930	4.820	122	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:3:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<4>,4|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H){1|C<4>,5|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	118.7030	0.000	1	120.4625	6.192	2	121.3455	2.098	43	120.6930	4.820	122	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:3:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){4|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H){3|H<1>,8|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	122.2220	0.000	1	120.4625	6.192	2	121.3455	2.098	43	120.6930	4.820	122	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:3:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|O<2>,2|C<4>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H){1|C<4>,5|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	119.8485	0.173	2	120.5598	0.787	4	121.3455	2.098	43	120.6930	4.820	122	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:3:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|O<2>,3|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H){3|H<1>,8|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<4>,2|H<1>,3|C<3>}	121.2710	0.554	2	120.5598	0.787	4	121.3455	2.098	43	120.6930	4.820	122	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:3:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(C[6a]C[6a]2)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(C[6a]C[6a]2)(H){1|C<4>,3|H<1>,7|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	122.2200	0.000	1	122.2200	0.000	1	121.3455	2.098	43	120.6930	4.820	122	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:3:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(C[6a]C[6a]2)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]I)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|I<1>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(C[6a]C[6a]2)(H){1|C<4>,3|H<1>,7|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]I)(H){1|C<4>,2|H<1>,3|C<3>}	120.6580	0.000	1	120.6580	0.000	1	121.3455	2.098	43	120.6930	4.820	122	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:3:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]H)(C[6a]C[6a]2)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|O<2>,4|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]H)(C[6a]C[6a]2)(H){1|C<4>,3|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	120.2640	0.000	1	119.6900	0.290	3	121.3455	2.098	43	120.6930	4.820	122	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:3:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]H)(C[6a]C[6a]2)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|O<2>,4|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]H)(C[6a]C[6a]2)(H){1|C<4>,3|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	119.4030	0.293	2	119.6900	0.290	3	121.3455	2.098	43	120.6930	4.820	122	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:3:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]2C[6])(C[6a]C[6a]2)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<4>,1|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]2C[6])(C[6a]C[6a]2)(H){1|N<2>,3|H<1>,9|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	122.5190	0.000	1	122.5190	0.000	1	121.3455	2.098	43	120.6930	4.820	122	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:3:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H){1|Cl<1>,1|C<4>,1|N<3>,3|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,1|H<1>,1|N<3>,2|C<3>}	122.5490	0.000	1	122.5490	0.000	1	121.3455	2.098	43	120.6930	4.820	122	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:3:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]2)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]2)(H){2|O<2>,3|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	122.2445	0.392	2	122.2445	0.154	2	121.3455	2.098	43	120.6930	4.820	122	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:3:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]2)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|Br<1>,1|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]2)(H){1|C<4>,2|O<2>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	122.4525	1.249	2	122.1933	1.091	7	121.3455	2.098	43	120.6930	4.820	122	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:3:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]2)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<4>,1|P<3>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]2)(H){1|C<4>,2|O<2>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	122.5595	1.817	2	122.1933	1.091	7	121.3455	2.098	43	120.6930	4.820	122	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:3:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]2)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]2)(H){2|O<2>,3|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	121.7763	0.617	3	122.1933	1.091	7	121.3455	2.098	43	120.6930	4.820	122	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:3:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){2|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H){1|O<2>,4|H<1>,7|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	121.0965	1.107	2	121.0965	1.225	2	121.3455	2.098	43	120.6930	4.820	122	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:3:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H){1|O<2>,4|H<1>,7|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.6490	0.583	3	121.3418	2.146	4	121.3455	2.098	43	120.6930	4.820	122	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:3:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,3|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,1|H<1>,1|O<2>,2|C<3>}	123.4200	0.000	1	121.3418	2.146	4	121.3455	2.098	43	120.6930	4.820	122	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:3:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]BrH)(C[6a]C[6a]2)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){2|Br<1>,1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]BrH)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	120.5610	0.000	1	120.5610	0.000	1	121.3455	2.098	43	120.6930	4.820	122	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:3:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:N[5]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]N[5]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(N[5]C[5]2)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]N[5]H)(C[6a]C[6a]H){1|C<4>,3|C<3>,6|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(N[5]C[5]2)(H){1|C<4>,2|O<1>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	119.9578	0.567	5	119.9578	0.322	5	120.0156	0.656	8	120.6930	4.820	122	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:3:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:N[5]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]N[5]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(N[5]C[5]2)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]N[5]H)(C[6a]C[6a]H){2|C<4>,3|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(N[5]C[5]2)(H){1|O<1>,1|O<2>,2|C<4>,4|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	120.1800	0.000	1	120.1800	0.000	1	120.0156	0.656	8	120.6930	4.820	122	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:3:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:N[5]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6]N[5]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(N[5]C[5]2)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6]N[5]H)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(N[5]C[5]2)(H){1|N<3>,1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,2|H<1>,2|N<3>}	121.3530	0.000	1	121.3530	0.000	1	120.0156	0.656	8	120.6930	4.820	122	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:3:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:N[5]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]C[6]N[5]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(N[5]C[5]2)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]C[6]N[5]H)(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(N[5]C[5]2)(H){1|N<3>,1|O<1>,2|C<3>,3|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|N<3>}	118.8030	0.000	1	118.8030	0.000	1	120.0156	0.656	8	120.6930	4.820	122	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:3:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:N[6]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]N[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6]H)(N[6]C[6]H)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]N[6]H)(C[6a]C[6a]H){1|C<4>,4|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6]H)(N[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|O<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	124.1770	0.000	1	124.1770	0.000	1	120.8488	3.441	17	120.6930	4.820	122	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:3:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:N[6]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]N[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]N[6]H)(N[6]B[5]C[6])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]N[6]H)(C[6a]C[6a]H){1|B<3>,1|N<3>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]N[6]H)(N[6]B[5]C[6])(H){1|B<3>,2|H<1>,2|O<2>,6|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	122.2920	0.146	2	122.2920	0.021	2	120.8488	3.441	17	120.6930	4.820	122	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:3:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:N[6]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]N[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]N[6]H)(N[6]C[6]C)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]N[6]H)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]N[6]H)(N[6]C[6]C)(H){3|C<4>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	118.7035	0.053	2	119.7580	3.337	3	120.8488	3.441	17	120.6930	4.820	122	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:3:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:N[6]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]N[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]N[6]H)(N[6]C[6]C)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]N[6]H)(C[6a]C[6a]H){1|N<3>,4|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]N[6]H)(N[6]C[6]C)(H){2|H<1>,7|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	121.8670	0.000	1	119.7580	3.337	3	120.8488	3.441	17	120.6930	4.820	122	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:3:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:N[6]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]N[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]N[6]H)(N[6]C[6]H)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]N[6]H)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,6|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]N[6]H)(N[6]C[6]H)(H){2|C<4>,3|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	119.9645	0.173	2	119.9645	0.030	2	120.8488	3.441	17	120.6930	4.820	122	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:3:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:N[6]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]N[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]N[6]H)(N[6]C[6a]C[6])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]N[6]H)(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]N[6]H)(N[6]C[6a]C[6])(H){2|C<4>,3|H<1>,7|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	120.2205	1.032	2	120.2205	1.064	2	120.8488	3.441	17	120.6930	4.820	122	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:3:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:N[6]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]N[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H)(N[6]C[6]C)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]N[6]H)(C[6a]C[6a]H){1|C<1>,2|C<3>,3|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H)(N[6]C[6]C)(H){2|C<3>,3|C<4>,7|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	119.4805	1.019	2	119.0320	1.123	3	120.8488	3.441	17	120.6930	4.820	122	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:3:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:N[6]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]N[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H)(N[6]C[6]C)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]N[6]H)(C[6a]C[6a]H){2|C<3>,4|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H)(N[6]C[6]C)(H){2|C<3>,3|C<4>,7|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	118.1350	0.000	1	119.0320	1.123	3	120.8488	3.441	17	120.6930	4.820	122	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:3:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:N[6]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]N[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]H)(N[6]C[6]2)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]N[6]H)(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]H)(N[6]C[6]2)(H){2|C<4>,5|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	121.7290	0.000	1	121.7290	0.000	1	120.8488	3.441	17	120.6930	4.820	122	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:3:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:N[6]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6]N[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CH)(N[6]C[6]2)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6]N[6]H)(C[6a]C[6a]H){1|C<3>,3|H<1>,4|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CH)(N[6]C[6]2)(H){2|C<4>,2|O<2>,3|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	121.2700	0.000	1	121.2700	0.000	1	120.8488	3.441	17	120.6930	4.820	122	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:3:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:N[6]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6]N[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]N[6]H)(N[6]C[6]C)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6]N[6]H)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]N[6]H)(N[6]C[6]C)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	122.9650	2.010	2	122.9650	4.038	2	120.8488	3.441	17	120.6930	4.820	122	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:3:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]CC)(C[6]C[6]2)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N[6]H)(C[6a]C[6a]H){2|C<4>,2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]CC)(C[6]C[6]2)(H){1|H<1>,2|C<4>,2|O<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<4>,2|H<1>,3|C<3>}	121.5870	0.000	1	121.5870	0.000	1	121.5870	0.000	1	120.6930	4.820	122	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:3:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:P[6]-4:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]P[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(P[6]C[6a]C[6]S)(C[6a]C[6a]2)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]P[6]H)(C[6a]C[6a]H){1|S<1>,2|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(P[6]C[6a]C[6]S)(C[6a]C[6a]2)(H){4|H<1>,7|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|P<4>,2|H<1>,3|C<3>}	118.5960	1.915	2	118.5960	3.667	2	118.5960	3.667	2	120.6930	4.820	122	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:3:2:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[5a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[5a]O)(C[5a]C[5a]2)(OH)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6]O)(C[6a]C[6a]H){1|Br<1>,1|H<1>,1|O<2>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[5a]O)(C[5a]C[5a]2)(OH){1|C<4>,1|S<2>,2|H<1>,7|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	118.4495	0.879	4	118.4495	0.772	4	118.4495	0.772	4	118.4495	0.772	4	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:3:3:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:B[5]-3:B[5]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]B[5]2C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(B[5]O[5]2)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]B[5]2C[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,4|O<2>,6|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(B[5]O[5]2)2{2|C<3>,3|H<1>,5|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|B<3>,2|C<4>}	120.7350	0.000	1	120.7350	0.000	1	120.7350	0.000	1	122.3078	1.985	9	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:3:3:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]2C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6a]2)(C[6a]C[6a]2)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]2C[6])(C[6a]C[6a]H){1|C<4>,1|H<1>,9|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6a]2)(C[6a]C[6a]2)2{12|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,4|C<3>}	124.1590	1.042	2	124.1590	1.086	2	122.5044	1.871	8	122.3078	1.985	9	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:3:3:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]2C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(C[6a]C[6a]2)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]2C[6])(C[6a]C[6a]H){4|H<1>,7|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(C[6a]C[6a]2)2{5|H<1>,8|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,4|C<3>}	120.7190	0.000	1	120.7190	0.000	1	122.5044	1.871	8	122.3078	1.985	9	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:3:3:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]2C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]2C[6])(C[6a]C[6a]H){3|H<1>,8|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)2{10|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,4|C<3>}	122.9495	0.319	2	122.9495	0.102	2	122.5044	1.871	8	122.3078	1.985	9	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:3:3:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]2C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]2C[6])(C[6a]C[6a]H){1|O<2>,2|H<1>,8|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)2{10|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,4|C<3>}	122.4280	0.000	1	122.4280	0.000	1	122.5044	1.871	8	122.3078	1.985	9	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:3:3:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]2C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(C[6a]C[6a]2)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]2C[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,7|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(C[6a]C[6a]2)2{1|N<2>,6|H<1>,8|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	121.3355	0.330	2	121.3355	0.109	2	122.5044	1.871	8	122.3078	1.985	9	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:3:4:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5]-4:C[6]-3:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5]C[6]C)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]C[5]C)(C[6]C[6]O)(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5]C[6]C)(C[6a]C[6a]H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]C[5]C)(C[6]C[6]O)(CH3){1|C<4>,1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	121.6490	0.000	1	121.6490	0.000	1	121.4870	0.052	2	121.2127	0.252	3	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:3:4:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5]-4:C[6]-3:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5]C[6]C)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]2H)(C[6]C[6]O)(CCHH)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5]C[6]C)(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]2H)(C[6]C[6]O)(CCHH){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	121.3250	0.000	1	121.3250	0.000	1	121.4870	0.052	2	121.2127	0.252	3	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:3:4:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6]C)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]2)(CCHH)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6]C)(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]2)(CCHH){1|N<3>,1|O<2>,2|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	120.6640	0.000	1	120.6640	0.000	1	120.6640	0.000	1	121.2127	0.252	3	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:4:1:	3:2:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[3,6]-4:C-4:H-1:	C[6,6a]-3:O[6a]-2:O-1:	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[3,6]CH)(C[6a]O[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]N[3]C)(CCCH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(O[6a]C[6a,6a])(O)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[3,6]CH)(C[6a]O[6a]O){1|C<2>,1|C<4>,1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]N[3]C)(CCCH)(H){1|C<3>,1|H<1>,1|O<1>,3|O<2>}	C[6a](C[6,6a]C[6,6a]C[6])(O[6a]C[6a,6a])(O){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	116.5020	0.000	1	116.5020	0.000	1	116.5020	0.000	1	116.5020	0.000	1	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:4:1:	3:3:1:	C[5a,6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6]C[5,6]CH)(C[6a]C[6a]H)	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[5,6]C[5,6a]C[5,6]H)(CCHH)(H)	C[6a](C[6,6a]C[5a,6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6]C[5,6]CH)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[5,6]C[5,6a]C[5,6]H)(CCHH)(H){1|N<3>,2|H<1>,5|C<3>}	C[6a](C[6,6a]C[5a,6,6a]C[6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	127.5430	0.000	1	127.5430	0.000	1	127.5430	0.000	1	122.3687	4.443	41	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:4:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6]CH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(CCHH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6]CH)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(CCHH)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	120.0100	0.000	1	120.0100	0.000	1	123.4463	3.509	20	122.3687	4.443	41	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:4:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6]C[5,6]CH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]H)(CH3)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]H)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6]C[5,6]CH)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]H)(CH3)(H){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	121.7510	0.000	1	121.7510	0.000	1	123.4463	3.509	20	122.3687	4.443	41	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:4:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]CH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(CCHH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]CH)(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(CCHH)(H){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|C<3>,2|H<1>,3|C<4>}	124.4630	0.000	1	124.4630	0.000	1	123.4463	3.509	20	122.3687	4.443	41	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:4:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]CH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(CCHH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]CH)(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(CCHH)(H){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	123.8330	0.000	1	123.8330	0.000	1	123.4463	3.509	20	122.3687	4.443	41	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:4:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]CH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(CF3)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]CH)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(CF3)(H){2|C<4>,3|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H){2|C<3>,2|C<4>,2|H<1>}	120.5640	0.000	1	120.5640	0.000	1	123.4463	3.509	20	122.3687	4.443	41	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:4:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]CH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]O)(CC[6a]HH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]CH)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]O)(CC[6a]HH)(H){2|C<3>,3|H<1>,4|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	121.5690	0.174	2	121.5690	0.030	2	123.4463	3.509	20	122.3687	4.443	41	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:4:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]CH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2O[6])(CCHH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]CH)(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2O[6])(CCHH)(H){1|O<1>,3|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	121.5660	0.000	1	121.5660	0.000	1	123.4463	3.509	20	122.3687	4.443	41	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:4:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]CH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]C)(CH3)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]CH)(C[6a]C[6a]H){1|C<3>,1|O<2>,1|S<4>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]C)(CH3)(H){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	124.4320	0.000	1	124.4320	0.000	1	123.4463	3.509	20	122.3687	4.443	41	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:4:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]CH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H)(CH3)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]CH)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,1|S<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H)(CH3)(H){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	124.2500	0.000	1	124.2500	0.000	1	123.4463	3.509	20	122.3687	4.443	41	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:4:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]CH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]N)(CCHH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]CH)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,1|S<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]N)(CCHH)(H){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	124.1510	0.000	1	124.1510	0.000	1	123.4463	3.509	20	122.3687	4.443	41	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:4:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]CH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]2H)(CCHH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]CH)(C[6a]C[6a]H){1|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]2H)(CCHH)(H){1|C<4>,2|H<1>,2|O<2>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	124.5947	2.536	3	124.5947	6.434	3	123.4463	3.509	20	122.3687	4.443	41	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:4:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]CH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H)(CH3)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]CH)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H)(CH3)(H){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	125.8540	0.000	1	125.8540	0.000	1	123.4463	3.509	20	122.3687	4.443	41	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:4:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]CH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H)(CH3)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]CH)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H)(CH3)(H){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	124.8070	0.534	3	124.8070	0.285	3	123.4463	3.509	20	122.3687	4.443	41	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:4:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]CH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])(CHHN)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]CH)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])(CHHN)(H){1|C<4>,1|N<2>,1|N<3>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	122.6460	0.000	1	123.3545	1.004	2	123.4463	3.509	20	122.3687	4.443	41	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:4:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]CH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])(CHHN)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]CH)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])(CHHN)(H){1|O<2>,2|C<3>,2|C<4>,2|O<1>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	124.0630	0.000	1	123.3545	1.004	2	123.4463	3.509	20	122.3687	4.443	41	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:4:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:S-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HS)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(SC[6a]OO)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HS)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(SC[6a]OO)(H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	121.0485	0.493	2	120.6698	0.304	4	120.6698	0.304	4	122.3687	4.443	41	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:4:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:S-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HS)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(SC[6a]OO)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HS)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(SC[6a]OO)(H){2|C<4>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	120.2910	0.310	2	120.6698	0.304	4	120.6698	0.304	4	122.3687	4.443	41	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:4:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5]-4:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6]C[5]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]O[5]O)(C[6]C[5a,6]CC)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6]C[5]C[6]H)(C[6a]C[6a]H){1|H<1>,1|N<2>,2|C<4>,3|C<3>,3|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]O[5]O)(C[6]C[5a,6]CC)(H){1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	121.8360	0.000	1	121.8360	0.000	1	121.8360	0.000	1	122.3687	4.443	41	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:4:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]CH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]H)(CH3)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]CH)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]H)(CH3)(H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,4|C<4>}	119.2360	0.000	1	119.2360	0.000	1	121.3037	1.228	9	122.3687	4.443	41	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:4:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]CH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(CH3)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]CH)(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(CH3)(H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	122.3900	0.057	2	122.3900	0.003	2	121.3037	1.228	9	122.3687	4.443	41	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:4:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6]CH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(CF3)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6]CH)(C[6a]C[6a]H){3|C<3>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(CF3)(H){1|H<1>,1|N<2>,1|O<1>,2|C<3>,2|N<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	120.9050	0.000	1	120.9050	0.000	1	121.3037	1.228	9	122.3687	4.443	41	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:4:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]CH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(CHHN)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]CH)(C[6a]C[6a]H){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(CHHN)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	121.4700	0.000	1	121.4700	0.000	1	121.3037	1.228	9	122.3687	4.443	41	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:4:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]CH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(CHHN)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]CH)(C[6a]C[6a]H){1|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(CHHN)(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	121.7710	0.000	1	121.7710	0.000	1	121.3037	1.228	9	122.3687	4.443	41	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:4:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]CH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)(CHHN)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]CH)(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)(CHHN)(H){1|C<4>,1|O<2>,2|O<1>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	122.3800	0.000	1	122.3800	0.000	1	121.3037	1.228	9	122.3687	4.443	41	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:4:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]CH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)(CHHN)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]CH)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)(CHHN)(H){1|C<4>,1|O<2>,2|O<1>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	121.1510	0.000	1	121.1510	0.000	1	121.3037	1.228	9	122.3687	4.443	41	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:4:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]N[6a]C[6])(C[6]C[6,6]CH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]2C)(CH3)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]N[6a]C[6])(C[6]C[6,6]CH)(C[6a]C[6a]H){1|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]2C)(CH3)(H){1|C<3>,1|N<2>,3|H<1>,4|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<2>,2|H<1>,3|C<4>}	120.0400	0.000	1	120.0400	0.000	1	121.3037	1.228	9	122.3687	4.443	41	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:4:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[5]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(C[5]C[5]2H)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5]C[6]H)(C[6a]C[6a]H){2|C<4>,3|C<3>,6|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(C[5]C[5]2H)(H){1|C<4>,1|O<1>,1|O<2>,4|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,4|C<4>}	119.6615	0.059	2	119.6615	0.003	2	119.6615	0.003	2	122.3687	4.443	41	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:4:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:N[5]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]N[5]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(N[5]C[5]2H)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]N[5]H)(C[6a]C[6a]H){1|C<3>,3|C<4>,7|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(N[5]C[5]2H)(H){2|C<3>,3|C<4>,7|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<4>,2|C<4>,2|H<1>}	118.8210	0.000	1	118.8210	0.000	1	118.8210	0.000	1	122.3687	4.443	41	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:4:1:	3:3:1:	N[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](N[6,6a]C[5,6]C[6a])(C[6]C[5,6]CH)(C[6a]C[6a]H)	C[6](C[6,6a]N[6,6a]C[6a])(C[5,6]O[5,6]C[5]H)(CHHO)(H)	C[6a](C[6,6a]N[6,6a]C[6])(C[6a]N[6a]O)(H)	C[6,6a](N[6,6a]C[5,6]C[6a])(C[6]C[5,6]CH)(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<4>,2|H<1>,2|O<1>}	C[6](C[6,6a]N[6,6a]C[6a])(C[5,6]O[5,6]C[5]H)(CHHO)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]N[6,6a]C[6])(C[6a]N[6a]O)(H){1|C<3>,2|H<1>,3|C<4>}	122.0847	0.633	3	122.0847	0.401	3	122.0847	0.401	3	122.3687	4.443	41	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:4:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]CH)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]H)(CH3)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]CH)(C[6a]C[6a]O){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]H)(CH3)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>,3|C<4>}	118.5890	0.000	1	118.5890	0.000	1	118.5890	0.000	1	118.5890	0.000	1	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:4:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:C-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CH)(C[6a]C[6a]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]O[6]2)(CHHO)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(COO)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CH)(C[6a]C[6a]C){2|O<2>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]O[6]2)(CHHO)(H){2|C<4>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(COO){1|H<1>,2|C<4>,3|C<3>}	122.7500	0.000	1	122.7500	0.000	1	122.7500	0.000	1	122.7500	0.000	1	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:4:1:	3:3:4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]CH)(C[6a]C[6a]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]H)(CH3)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]CH)(C[6a]C[6a]C){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]H)(CH3)(H){1|H<1>,2|C<3>,4|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CH3){1|C<3>,2|H<1>,3|C<4>}	119.9120	0.000	1	119.9120	0.000	1	119.9120	0.000	1	119.9120	0.000	1	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:4:2:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[3,6]-4:C[6]-4:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[3,6]C[6]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]O[3]H)(C[6]C[6,6a]C[6]C)(OC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[3,6]C[6]O)(C[6a]C[6a]H){1|C<2>,2|C<3>,2|C<4>,3|H<1>,3|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]O[3]H)(C[6]C[6,6a]C[6]C)(OC){2|C<4>,4|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	118.3655	0.457	2	118.3655	0.209	2	118.3655	0.209	2	121.0833	6.906	6	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:4:2:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C-4:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]CO)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(CH3)(OH)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]CO)(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(CH3)(OH){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	123.4490	0.000	3	123.4490	0.000	3	122.4423	4.054	4	121.0833	6.906	6	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:4:2:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C-4:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]CO)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)(CCHH)(OH)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]CO)(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)(CCHH)(OH){2|C<4>,3|C<3>,6|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	119.4220	0.000	1	119.4220	0.000	1	122.4423	4.054	4	121.0833	6.906	6	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:4:3:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C-4:C-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(CCHH)(COO)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]CC)(C[6a]C[6a]H){1|C<4>,2|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(CCHH)(COO){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,3|C<4>}	123.7870	0.000	1	123.7870	0.000	1	123.4965	0.169	2	123.4965	0.169	2	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:4:3:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C-4:C-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(CH3)(COO)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]CC)(C[6a]C[6a]H){1|C<4>,2|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(CH3)(COO){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){2|C<3>,4|C<4>}	123.2060	0.000	1	123.2060	0.000	1	123.4965	0.169	2	123.4965	0.169	2	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:4:4:	3:3:1:	C[5,6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6,6a]C[5,5,6]C[5,6a])(C[6]C[6,6]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6]C[5,6,6]C[6]H)(CH3)2	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[5,6,6a]C[5,5,6]C[5,6a])(C[6]C[6,6]CC)(C[6a]C[6a]H){1|N<2>,1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6]C[5,6,6]C[6]H)(CH3)2{2|C<3>,3|C<4>,4|H<1>}	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,4|C<4>}	123.4120	0.000	1	123.4120	0.000	1	123.4120	0.000	1	121.2206	10.296	21	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:4:4:	3:3:1:	C[5a,6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6]C[6,6]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(CH3)2	C[6a](C[6,6a]C[5a,6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6]C[6,6]CC)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(CH3)2{1|C<4>,4|C<3>,4|H<1>}	C[6a](C[6,6a]C[5a,6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,3|C<4>}	126.6620	0.000	1	127.8823	1.205	3	127.8823	1.205	3	121.2206	10.296	21	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:4:4:	3:3:1:	C[5a,6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6]C[6,6]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(CH3)2	C[6a](C[6,6a]C[5a,6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6]C[6,6]CC)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(CH3)2{2|C<4>,3|C<3>,4|H<1>}	C[6a](C[6,6a]C[5a,6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,3|C<4>}	128.4925	0.421	2	127.8823	1.205	3	127.8823	1.205	3	121.2206	10.296	21	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:4:4:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(CH3)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]CC)(C[6a]C[6a]H){1|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(CH3)2{1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,4|C<4>}	118.6090	0.000	1	119.2440	1.085	3	119.7744	1.122	7	121.2206	10.296	21	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:4:4:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(CH3)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]CC)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(CH3)2{2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,3|C<4>}	120.4460	0.000	1	119.2440	1.085	3	119.7744	1.122	7	121.2206	10.296	21	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:4:4:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(CH3)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]CC)(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(CH3)2{2|C<3>,3|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,4|C<4>}	118.6770	0.000	1	119.2440	1.085	3	119.7744	1.122	7	121.2206	10.296	21	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:4:4:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(CH3)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]CC)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(CH3)2{2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N)(H){1|H<1>,2|C<3>,3|C<4>}	121.5560	0.000	1	121.5560	0.000	1	119.7744	1.122	7	121.2206	10.296	21	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:4:4:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(CH3)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]CC)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(CH3)2{1|C<4>,2|C<3>,2|N<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	119.5370	0.594	2	119.5370	0.353	2	119.7744	1.122	7	121.2206	10.296	21	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:4:4:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(CH3)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]CC)(C[6a]C[6a]H){1|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(CH3)2{1|N<4>,2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<4>,3|C<4>}	120.0590	0.000	1	120.0590	0.000	1	119.7744	1.122	7	121.2206	10.296	21	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:4:4:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(CH3)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]CC)(C[6a]C[6a]H){1|C<2>,1|O<1>,2|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(CH3)2{1|H<1>,1|O<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|H<1>,2|C<3>,3|C<4>}	118.8540	0.000	1	118.8540	0.000	1	119.9728	3.688	9	121.2206	10.296	21	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:4:4:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(CH3)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]CC)(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(CH3)2{1|C<4>,1|S<2>,3|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,3|C<4>}	120.2515	0.455	2	119.4640	1.964	3	119.9728	3.688	9	121.2206	10.296	21	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:4:4:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(CH3)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]CC)(C[6a]C[6a]H){1|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(CH3)2{1|S<2>,2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,4|C<4>}	117.8890	0.000	1	119.4640	1.964	3	119.9728	3.688	9	121.2206	10.296	21	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:4:4:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6]H)(CH3)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]CC)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6]H)(CH3)2{2|C<3>,2|H<1>,4|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,4|C<4>}	119.4770	0.000	1	119.4770	0.000	1	119.9728	3.688	9	121.2206	10.296	21	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:4:4:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]H)(CH3)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]CC)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]H)(CH3)2{2|C<3>,2|H<1>,3|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|F<1>,4|C<4>}	119.0100	0.000	1	118.9795	0.002	2	119.9728	3.688	9	121.2206	10.296	21	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:4:4:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]H)(CH3)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]CC)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]H)(CH3)2{2|C<3>,2|H<1>,3|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,4|C<4>}	118.9490	0.000	1	118.9795	0.002	2	119.9728	3.688	9	121.2206	10.296	21	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:4:4:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(CH3)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6]CC)(C[6a]C[6a]H){1|C<3>,2|H<1>,4|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(CH3)2{1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	120.5140	0.000	1	120.5140	0.000	1	119.9728	3.688	9	121.2206	10.296	21	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:4:4:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]Ru)(CH3)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]CC)(C[6a]C[6a]H){1|Ru<9>,1|Si<4>,1|C<3>,1|H<1>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]Ru)(CH3)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	124.5590	0.000	1	124.5590	0.000	1	119.9728	3.688	9	121.2206	10.296	21	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:4:4:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:Si[6]-4:C-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6]Si[6]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(Si[6]B[5a,6]HN)(CH3)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6]Si[6]CC)(C[6a]C[6a]H){1|B<3>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(Si[6]B[5a,6]HN)(CH3)2{1|H<1>,2|C<3>,2|N<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|Si<4>,1|C<3>,1|H<1>,1|N<3>,2|C<4>}	120.3970	0.000	1	120.3970	0.000	1	120.3970	0.000	1	121.2206	10.296	21	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:4:4:	3:3:2:	C[6,6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C-4:C-4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6]C[5,6]CC)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(CH3)2	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]H)(OH)	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6]C[5,6]CC)(C[6a]C[6a]O){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[6](C[6,6a]C[6,6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(CH3)2{1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6,6a]C[6])(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,4|C<4>}	120.9800	0.000	1	120.9800	0.000	1	120.9800	0.000	1	120.8390	0.040	2	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	3:4:4:4:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C-4:C-4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]CC)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(CH3)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]CC)(C[6a]C[6a]O){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(CH3)2{1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,4|C<4>}	120.6980	0.000	1	120.6980	0.000	1	120.6980	0.000	1	120.8390	0.040	2	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	4:3:1:1:	3:2:4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[5,6]-4:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:O[6a]-2:C-4:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[5,6]HH)(C[6a]O[6a]C)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6,6a]C[6,6a]C[6a])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(O[6a]C[6a])(CCHH)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[5,6]HH)(C[6a]O[6a]C){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6,6]O[5]H)(C[6,6a]C[6,6a]C[6a])(H)2{1|H<1>,1|O<2>,2|C<3>,3|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(O[6a]C[6a])(CCHH){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	122.3210	0.000	1	122.3210	0.000	1	122.3210	0.000	1	122.3210	0.000	1	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	4:3:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[3x6]-4:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[3x6]HH)(C[6a]C[6a]H)	C[6](C[3x6]C[4x6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[3x6]HH)(C[6a]C[6a]H){1|C<3>,2|C<4>,5|H<1>}	C[6](C[3x6]C[4x6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(H)2{1|N<2>,2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	119.4160	0.000	1	119.4160	0.000	1	119.4160	0.000	1	121.0483	3.990	94	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	4:3:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[4,6]-4:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[4,6]HH)(C[6a]C[6a]H)	C[6](C[4,6]C[4,5,6]C[4]H)(C[6,6a]C[6,6a]C[6a])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[4,6]HH)(C[6a]C[6a]H){2|C<3>,2|H<1>,3|C<4>}	C[6](C[4,6]C[4,5,6]C[4]H)(C[6,6a]C[6,6a]C[6a])(H)2{1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	119.9990	0.011	2	119.9990	0.000	2	119.9990	0.000	2	121.0483	3.990	94	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	4:3:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[4x6]-4:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[4x6]HH)(C[6a]C[6a]H)	C[6](C[4x6]C[3x6]C[6,6]N[6,6])(C[6,6a]C[6,6a]C[6a])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[4x6]HH)(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,4|H<1>}	C[6](C[4x6]C[3x6]C[6,6]N[6,6])(C[6,6a]C[6,6a]C[6a])(H)2{1|N<3>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.3300	0.000	1	120.3300	0.000	1	120.4395	0.024	2	121.0483	3.990	94	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	4:3:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[4x6]-4:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[4x6]HH)(C[6a]C[6a]H)	C[6](C[4x6]C[3x6]C[6,6]O[6,6])(C[6,6a]C[6,6a]C[6a])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[4x6]HH)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[6](C[4x6]C[3x6]C[6,6]O[6,6])(C[6,6a]C[6,6a]C[6a])(H)2{3|C<3>,3|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){2|C<3>,2|C<4>,2|H<1>}	120.5490	0.000	1	120.5490	0.000	1	120.4395	0.024	2	121.0483	3.990	94	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	4:3:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[5,3x6]-4:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,3x6]HH)(C[6a]C[6a]H)	C[6](C[5,3x6]C[5,6,6a]2C[5,3x6])(C[6,6a]C[6,6a]C[6a])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,3x6]HH)(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	C[6](C[5,3x6]C[5,6,6a]2C[5,3x6])(C[6,6a]C[6,6a]C[6a])(H)2{1|C<4>,1|H<1>,8|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	124.6215	0.587	6	124.6215	0.344	6	124.5359	0.271	8	121.0483	3.990	94	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	4:3:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[5,3x6]-4:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,3x6]HH)(C[6a]C[6a]H)	C[6](C[5,3x6]C[5,6,6a]C[5,3x6]C[5,6,6])(C[6,6a]C[6,6a]C[6a])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,3x6]HH)(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	C[6](C[5,3x6]C[5,6,6a]C[5,3x6]C[5,6,6])(C[6,6a]C[6,6a]C[6a])(H)2{1|H<1>,2|C<4>,7|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	124.2790	0.023	2	124.2790	0.001	2	124.5359	0.271	8	121.0483	3.990	94	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	4:3:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[5,6,6]-4:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6,6]HH)(C[6a]C[6a]H)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6a]C[6,6a]C[6a])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6,6]HH)(C[6a]C[6a]H){1|C<3>,1|S<4>,2|C<4>,3|H<1>}	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6a]C[6,6a]C[6a])(H)2{1|C<4>,1|N<3>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	123.2760	0.000	1	123.2760	0.000	1	123.2760	0.000	1	121.0483	3.990	94	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	4:3:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[5,6]-4:C[6,6a]-3:Cl-1:Cl-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6]Cl2)(C[6a]C[6a]H)	C[6](C[5,6]O[5,6]C[6a]C[5])(C[6,6a]C[6,6a]C[6a])(Cl)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6]Cl2)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6](C[5,6]O[5,6]C[6a]C[5])(C[6,6a]C[6,6a]C[6a])(Cl)2{1|C<4>,1|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){2|Cl<1>,1|C<3>,1|H<1>,2|C<4>}	119.9820	0.007	2	119.9820	0.000	2	119.9820	0.000	2	121.0483	3.990	94	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	4:3:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[5,6]-4:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|C<3>,3|H<1>,4|C<4>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(H)2{2|C<3>,3|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	119.7060	0.000	1	119.7060	0.000	1	121.8968	4.005	21	121.0483	3.990	94	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	4:3:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[5,6]-4:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H)	C[6](C[5,6]N[5,6,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]N[5,6,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(H)2{1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	118.5610	0.000	1	118.5610	0.000	1	121.8968	4.005	21	121.0483	3.990	94	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	4:3:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[5,6]-4:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H)	C[6](C[5,6]N[5,5,6]C[5,5]H)(C[6,6a]C[6,6a]C[6a])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|N<3>,4|H<1>}	C[6](C[5,6]N[5,5,6]C[5,5]H)(C[6,6a]C[6,6a]C[6a])(H)2{1|H<1>,3|C<4>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.1010	0.000	1	121.1010	0.000	1	121.8968	4.005	21	121.0483	3.990	94	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	4:3:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[5,6]-4:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(H)2{1|N<3>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	119.0000	0.000	1	119.0000	0.000	1	121.8968	4.005	21	121.0483	3.990	94	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	4:3:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[5,6]-4:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(H)2{1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,2|C<4>,3|H<1>}	122.6820	0.000	1	122.6820	0.000	1	121.8968	4.005	21	121.0483	3.990	94	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	4:3:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[5,6]-4:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H)	C[6](C[5,6]C[5,6,6a]C[5]C)(C[6,6a]C[6,6a]C[6a])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|H<1>,1|O<2>,5|C<3>}	C[6](C[5,6]C[5,6,6a]C[5]C)(C[6,6a]C[6,6a]C[6a])(H)2{1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.2400	0.000	1	120.2400	0.000	1	121.8968	4.005	21	121.0483	3.990	94	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	4:3:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[5,6]-4:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6,6a]C[6,6a]C[6a])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6,6a]C[6,6a]C[6a])(H)2{1|O<2>,3|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	121.5625	0.202	2	121.5673	0.020	3	121.8968	4.005	21	121.0483	3.990	94	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	4:3:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[5,6]-4:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6,6a]C[6,6a]C[6a])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6,6a]C[6,6a]C[6a])(H)2{1|H<1>,1|N<3>,1|O<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	121.5770	0.000	1	121.5673	0.020	3	121.8968	4.005	21	121.0483	3.990	94	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	4:3:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[5,6]-4:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]C[5]O[6])(C[6,6a]C[6,6a]C[6a])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|Br<1>,1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6](C[5,6]C[5,6a]C[5]O[6])(C[6,6a]C[6,6a]C[6a])(H)2{1|H<1>,1|N<2>,1|O<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	121.3750	0.000	1	121.8335	0.420	2	121.8968	4.005	21	121.0483	3.990	94	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	4:3:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[5,6]-4:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]C[5]O[6])(C[6,6a]C[6,6a]C[6a])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6a]C[5]O[6])(C[6,6a]C[6,6a]C[6a])(H)2{1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	122.2920	0.000	1	121.8335	0.420	2	121.8968	4.005	21	121.0483	3.990	94	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	4:3:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[5,6]-4:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]N[5,6]C)(C[6,6a]C[6,6a]C[6a])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|N<3>,3|C<3>,4|H<1>}	C[6](C[5,6]C[5,6a]N[5,6]C)(C[6,6a]C[6,6a]C[6a])(H)2{1|C<4>,1|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.6770	0.000	1	120.6770	0.000	1	121.8968	4.005	21	121.0483	3.990	94	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	4:3:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[5,6]-4:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]N[5,6]H)(C[6,6a]C[6,6a]C[6a])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|N<3>,2|C<3>,5|H<1>}	C[6](C[5,6]C[5,6a]N[5,6]H)(C[6,6a]C[6,6a]C[6a])(H)2{1|C<4>,1|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	120.3480	0.000	1	120.3480	0.000	1	121.8968	4.005	21	121.0483	3.990	94	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	4:3:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[5,6]-4:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]HH)(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6,6a]C[6,6a]C[6a])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6,6a]C[6,6a]C[6a])(H)2{2|H<1>,2|N<3>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	122.1910	0.000	1	122.1910	0.000	1	121.8968	4.005	21	121.0483	3.990	94	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	4:3:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[5,6]-4:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]HH)(C[6a]C[6a]H)	C[6](C[5,6]C[5,5]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|H<1>,2|C<3>,3|C<4>}	C[6](C[5,6]C[5,5]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(H)2{1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	125.4430	0.000	1	125.4430	0.000	1	121.8968	4.005	21	121.0483	3.990	94	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	4:3:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[5,6]-4:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]HH)(C[6a]C[6a]H)	C[6](C[5,6]C[5,5]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]HH)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,5]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(H)2{1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	124.7420	0.641	4	124.7420	0.411	4	121.8968	4.005	21	121.0483	3.990	94	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	4:3:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[5,6]-4:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]C[5,6]C[5])(C[6,6a]C[6,6a]C[6a])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6a]C[5,6]C[5])(C[6,6a]C[6,6a]C[6a])(H)2{1|C<4>,1|O<1>,2|H<1>,2|N<3>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	121.1040	0.000	1	121.2730	0.057	2	121.8968	4.005	21	121.0483	3.990	94	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	4:3:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[5,6]-4:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]C[5,6]C[5])(C[6,6a]C[6,6a]C[6a])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6a]C[5,6]C[5])(C[6,6a]C[6,6a]C[6a])(H)2{1|N<2>,1|N<3>,2|C<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	121.4420	0.000	1	121.2730	0.057	2	121.8968	4.005	21	121.0483	3.990	94	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	4:3:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6]-4:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:Cl-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]Cl)	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]C[6a])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(Cl)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]Cl){1|N<3>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]C[6a])(H)2{1|Cl<1>,2|C<4>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(Cl){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	122.8670	0.000	1	122.8670	0.000	1	122.8670	0.000	1	121.0483	3.990	94	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	4:3:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6]-4:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6,6a]C[6a])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6,6a]C[6a])(H)2{1|N<3>,1|O<2>,3|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	118.3795	0.404	2	118.3795	0.163	2	120.9363	1.860	32	121.0483	3.990	94	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	4:3:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6]-4:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]C[6a])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[5,6a]H)(H)	C[6,6a](C[6,6a]C[5,6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]C[6a])(H)2{1|H<1>,2|C<4>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[5,6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	121.2755	1.214	2	121.2755	1.474	2	120.9363	1.860	32	121.0483	3.990	94	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	4:3:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6]-4:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6]C[6,6a]N[6,6]O)(C[6,6a]C[6,6a]C[6a])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[5,6a]H)(H)	C[6,6a](C[6,6a]C[5,6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|N<4>,2|C<3>,2|O<2>,3|H<1>}	C[6](C[6,6]C[6,6a]N[6,6]O)(C[6,6a]C[6,6a]C[6a])(H)2{1|H<1>,3|C<4>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[5,6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	120.1220	0.000	1	120.1220	0.000	1	120.9363	1.860	32	121.0483	3.990	94	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	4:3:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6]-4:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]C[6a])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]C[6a])(H)2{1|H<1>,2|C<4>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	119.9315	0.319	2	119.9315	0.102	2	120.9363	1.860	32	121.0483	3.990	94	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	4:3:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6]-4:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6]C[6,6a]O[6,6]C)(C[6,6a]C[6,6a]C[6a])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6](C[6,6]C[6,6a]O[6,6]C)(C[6,6a]C[6,6a]C[6a])(H)2{1|C<4>,1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	119.9800	0.000	1	119.9800	0.000	1	120.9363	1.860	32	121.0483	3.990	94	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	4:3:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6]-4:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6]O[6,6]C[3]C[6])(C[6,6a]C[6,6a]C[6a])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6]O[6,6]C[3]C[6])(C[6,6a]C[6,6a]C[6a])(H)2{3|C<3>,3|C<4>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.0840	0.000	1	121.0840	0.000	1	120.9363	1.860	32	121.0483	3.990	94	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	4:3:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6]-4:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6]C[6,6,6a]N[6]H)(C[6,6a]C[6,6a]C[6a])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6,6]C[6,6,6a]N[6]H)(C[6,6a]C[6,6a]C[6a])(H)2{1|C<4>,1|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	121.4440	0.000	1	121.1357	0.126	3	120.9363	1.860	32	121.0483	3.990	94	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	4:3:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6]-4:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6]C[6,6,6a]N[6]H)(C[6,6a]C[6,6a]C[6a])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	C[6](C[6,6]C[6,6,6a]N[6]H)(C[6,6a]C[6,6a]C[6a])(H)2{1|C<4>,1|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.9815	0.330	2	121.1357	0.126	3	120.9363	1.860	32	121.0483	3.990	94	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	4:3:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6]-4:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6]C[6,6,6a]N[6]H)(C[6,6a]C[6,6a]C[6a])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|N<4>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6,6]C[6,6,6a]N[6]H)(C[6,6a]C[6,6a]C[6a])(H)2{2|C<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	119.6530	0.000	1	119.6530	0.000	1	120.9363	1.860	32	121.0483	3.990	94	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	4:3:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6]-4:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6]C[5,6]N[6,6]H)(C[6,6a]C[6,6a]C[6a])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[6](C[6,6]C[5,6]N[6,6]H)(C[6,6a]C[6,6a]C[6a])(H)2{1|Si<4>,1|H<1>,2|C<3>,4|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.1550	0.000	1	120.1550	0.000	1	120.9363	1.860	32	121.0483	3.990	94	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	4:3:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6]-4:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6]C[6,6]C[6a]C[6])(C[6,6a]C[6,6a]C[6a])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6a]C[6])(C[6,6a]C[6,6a]C[6a])(H)2{3|C<4>,3|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	118.9360	0.000	1	118.9360	0.000	1	120.9363	1.860	32	121.0483	3.990	94	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	4:3:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6]-4:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6]C[6,6a]C[6]O[6])(C[6,6a]C[6,6a]C[6a])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|O<2>,3|C<3>,4|H<1>}	C[6](C[6,6]C[6,6a]C[6]O[6])(C[6,6a]C[6,6a]C[6a])(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	124.9600	0.000	1	124.9600	0.000	1	120.9363	1.860	32	121.0483	3.990	94	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	4:3:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6]-4:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]C[6a])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]C[6a])(H)2{1|C<4>,1|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	121.8737	0.558	3	121.7659	0.290	13	120.9363	1.860	32	121.0483	3.990	94	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	4:3:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6]-4:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]C[6a])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]C[6a])(H)2{1|C<4>,1|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	122.1960	0.353	3	121.7659	0.290	13	120.9363	1.860	32	121.0483	3.990	94	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	4:3:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6]-4:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]C[6a])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]C[6a])(H)2{1|H<1>,2|C<4>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	121.8447	0.600	3	121.7659	0.290	13	120.9363	1.860	32	121.0483	3.990	94	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	4:3:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6]-4:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]C[6a])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|N<4>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]C[6a])(H)2{2|C<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	121.3035	0.374	4	121.7659	0.290	13	120.9363	1.860	32	121.0483	3.990	94	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	4:3:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6]-4:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]C[6a])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]C[6a])(H)2{1|H<1>,2|C<4>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	119.8450	0.296	3	119.8450	0.088	3	120.9363	1.860	32	121.0483	3.990	94	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	4:3:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	N[5,5,6]-4:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,5,6]HH)(C[6a]C[6a]H)	C[6](N[5,5,6]Ga[4x5,6,6]C[5]2)(C[6,6a]C[6,6a]C[6a])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,5,6]HH)(C[6a]C[6a]H){1|Ga<6>,1|C<3>,2|C<4>,2|H<1>}	C[6](N[5,5,6]Ga[4x5,6,6]C[5]2)(C[6,6a]C[6,6a]C[6a])(H)2{2|C<3>,2|C<4>,2|O<2>,3|N<4>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<4>,1|O<2>,3|H<1>}	117.1975	1.132	2	117.1975	1.282	2	118.3872	2.353	4	121.0483	3.990	94	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	4:3:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	N[5,5,6]-4:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,5,6]HH)(C[6a]C[6a]H)	C[6](N[5,5,6]In[5,6,6]C[5,5]C[5])(C[6,6a]C[6,6a]C[6a])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,5,6]HH)(C[6a]C[6a]H){1|In<5>,1|C<3>,4|C<4>}	C[6](N[5,5,6]In[5,6,6]C[5,5]C[5])(C[6,6a]C[6,6a]C[6a])(H)2{1|Cl<1>,1|N<4>,2|C<3>,2|O<2>,3|C<4>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|C<3>,1|N<4>,1|O<2>,3|H<1>}	119.5770	0.339	2	119.5770	0.115	2	118.3872	2.353	4	121.0483	3.990	94	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	4:3:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	N[5,6,6]-4:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,6,6]HH)(C[6a]C[6a]H)	C[6](N[5,6,6]Nb[3,5,6,6]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,6,6]HH)(C[6a]C[6a]H){1|Nb<7>,1|C<3>,4|C<4>}	C[6](N[5,6,6]Nb[3,5,6,6]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(H)2{1|Cl<1>,1|C<4>,1|N<4>,2|O<2>,5|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|C<3>,1|N<4>,1|O<2>,3|H<1>}	120.1720	1.011	2	120.1720	1.022	2	120.3378	0.989	6	121.0483	3.990	94	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	4:3:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	N[5,6,6]-4:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,6,6]HH)(C[6a]C[6a]H)	C[6](N[5,6,6]Nb[3,5,6,6]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,6,6]HH)(C[6a]C[6a]H){1|Nb<7>,1|C<3>,2|C<4>,2|H<1>}	C[6](N[5,6,6]Nb[3,5,6,6]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(H)2{1|Cl<1>,1|C<4>,1|N<4>,2|O<2>,5|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<4>,1|O<2>,3|H<1>}	120.4207	1.131	4	120.4207	1.280	4	120.3378	0.989	6	121.0483	3.990	94	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	4:3:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	N[5,6]-4:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]N[5,6]HH)(C[6a]C[6a]H)	C[6](N[5,6]C[5,6,6]C[5]O)(C[6,6a]C[6,6a]C[6a])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]N[5,6]HH)(C[6a]C[6a]H){1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6](N[5,6]C[5,6,6]C[5]O)(C[6,6a]C[6,6a]C[6a])(H)2{2|C<4>,3|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|N<4>,1|O<2>,2|H<1>}	116.2790	0.000	1	116.2790	0.000	1	119.3849	1.720	10	121.0483	3.990	94	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	4:3:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	N[5,6]-4:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,6]HH)(C[6a]C[6a]H)	C[6](N[5,6]Ga[3x5,6,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,6]HH)(C[6a]C[6a]H){1|Ga<6>,1|C<3>,1|C<4>,3|H<1>}	C[6](N[5,6]Ga[3x5,6,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(H)2{1|C<4>,1|N<3>,2|C<3>,2|N<4>,2|O<2>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<4>,1|O<2>,3|H<1>}	119.5238	0.872	4	119.5238	0.761	4	119.3849	1.720	10	121.0483	3.990	94	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	4:3:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	N[5,6]-4:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,6]HH)(C[6a]C[6a]H)	C[6](N[5,6]In[5,6,6]C[5]C)(C[6,6a]C[6,6a]C[6a])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,6]HH)(C[6a]C[6a]H){1|In<5>,1|C<3>,4|C<4>}	C[6](N[5,6]In[5,6,6]C[5]C)(C[6,6a]C[6,6a]C[6a])(H)2{1|Cl<1>,1|C<4>,1|N<4>,2|C<3>,2|O<2>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|C<3>,1|N<4>,1|O<2>,3|H<1>}	119.4340	0.833	2	119.4340	0.694	2	119.3849	1.720	10	121.0483	3.990	94	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	4:3:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	N[5,6]-4:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,6]HH)(C[6a]C[6a]H)	C[6](N[5,6]In[5,6]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,6]HH)(C[6a]C[6a]H){1|In<5>,1|C<3>,1|H<1>,3|C<4>}	C[6](N[5,6]In[5,6]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(H)2{2|Cl<1>,1|N<4>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|C<3>,1|N<4>,1|O<2>,3|H<1>}	119.8510	0.174	2	119.8510	0.030	2	119.3849	1.720	10	121.0483	3.990	94	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	4:3:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	N[5,6]-4:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,6]HH)(C[6a]C[6a]H)	C[6](N[5,6]Nb[3,5,6]C[5]C)(C[6,6a]C[6,6a]C[6a])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,6]HH)(C[6a]C[6a]H){1|Nb<7>,1|C<3>,4|C<4>}	C[6](N[5,6]Nb[3,5,6]C[5]C)(C[6,6a]C[6,6a]C[6a])(H)2{2|Cl<1>,1|C<4>,1|N<4>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|C<3>,1|N<4>,1|O<2>,3|H<1>}	120.9050	0.000	1	120.9050	0.000	1	119.3849	1.720	10	121.0483	3.990	94	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	4:3:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	N[6,6]-4:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]N[6,6]HH)(C[6a]C[6a]H)	C[6](N[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]N[6,6]HH)(C[6a]C[6a]H){1|Br<1>,2|C<3>,2|C<4>,2|H<1>}	C[6](N[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(H)2{1|N<3>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H){1|C<3>,1|N<3>,1|N<4>,3|H<1>}	119.8560	0.000	1	119.8560	0.000	1	119.5103	0.097	3	121.0483	3.990	94	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	4:3:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	N[6,6]-4:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]N[6,6]HH)(C[6a]C[6a]H)	C[6](N[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]N[6,6]HH)(C[6a]C[6a]H){2|C<3>,2|H<1>,3|C<4>}	C[6](N[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(H)2{1|N<3>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|C<3>,1|N<3>,1|N<4>,3|H<1>}	119.3375	0.122	2	119.3375	0.015	2	119.5103	0.097	3	121.0483	3.990	94	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	4:3:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	Si[6]-4:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6]Si[6]HH)(C[6a]C[6a]H)	C[6](Si[6]C[5,6,6]C[6a]2)(C[6,6a]C[6,6a]C[6a])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6]Si[6]HH)(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	C[6](Si[6]C[5,6,6]C[6a]2)(C[6,6a]C[6,6a]C[6a])(H)2{2|C<4>,2|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|Si<4>,1|C<3>,1|C<4>,3|H<1>}	118.1070	0.000	1	118.1070	0.000	1	118.1070	0.000	1	121.0483	3.990	94	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	4:3:1:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[3x6]-4:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6a]C[3x6]C[6a])(C[6]C[3x6]HH)(C[6a]C[6a]O)	C[6](C[3x6]C[4x6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC)	C[6,6a](C[6,6a]C[3x6]C[6a])(C[6]C[3x6]HH)(C[6a]C[6a]O){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[3x6]C[4x6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(H)2{1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC){1|C<3>,2|C<4>,3|H<1>}	118.7080	0.300	2	118.7080	0.090	2	121.8390	13.128	4	121.5013	6.821	7	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	4:3:1:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[3x6]-4:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[3x6]HH)(C[6a]C[6a]O)	C[6](C[3x6]C[3x6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OC)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[3x6]HH)(C[6a]C[6a]O){1|H<1>,2|C<3>,3|C<4>}	C[6](C[3x6]C[3x6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(H)2{2|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OC){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	124.9700	0.286	2	124.9700	0.082	2	121.8390	13.128	4	121.5013	6.821	7	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	4:3:1:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[5,6,6]-4:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6,6]HH)(C[6a]C[6a]O)	C[6](C[5,6,6]C[5,6]O[5,6]C[6])(C[6,6a]C[6,6a]C[6a])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OH)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6,6]HH)(C[6a]C[6a]O){1|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[6](C[5,6,6]C[5,6]O[5,6]C[6])(C[6,6a]C[6,6a]C[6a])(H)2{1|O<2>,2|C<3>,3|H<1>,4|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OH){1|C<3>,2|H<1>,3|C<4>}	120.5930	0.000	1	120.5930	0.000	1	120.5930	0.000	1	121.5013	6.821	7	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	4:3:1:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6]-4:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]O)	C[6](C[6,6]C[6,6,6a]N[6]H)(C[6,6a]C[6,6a]C[6a])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]O){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6,6]C[6,6,6a]N[6]H)(C[6,6a]C[6,6a]C[6a])(H)2{1|O<2>,2|C<4>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC){1|C<4>,2|C<3>,3|H<1>}	121.2800	0.403	2	121.2800	0.162	2	121.2800	0.162	2	121.5013	6.821	7	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	4:3:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[5,6]-4:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:N-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]N)	C[6](C[5,6]C[5,6a]C[5]N[6])(C[6,6a]C[6,6a]C[6a])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NOO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]N){1|N<3>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5,6a]C[5]N[6])(C[6,6a]C[6,6a]C[6a])(H)2{1|C<4>,1|O<1>,2|N<3>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NOO){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	128.0820	0.000	1	128.0820	0.000	1	128.0820	0.000	1	128.0820	0.000	1	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	4:3:2:1:	3:3:1:	C[5,6,6a]-3:C[6]-4:C[6a]-3:	C[4x6]-4:C[6,6a]-3:O-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6]C[4x6]HO)(C[6a]C[6a]H)	C[6](C[4x6]C[5,6,6]C[3x6]C[6,6])(C[6,6a]C[5,6,6a]C[6a])(OH)(H)	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6a]C[6a]Br)(H)	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6]C[4x6]HO)(C[6a]C[6a]H){1|Br<1>,1|H<1>,2|C<3>,4|C<4>}	C[6](C[4x6]C[5,6,6]C[3x6]C[6,6])(C[6,6a]C[5,6,6a]C[6a])(OH)(H){1|O<1>,2|C<3>,2|O<2>,3|C<4>,3|H<1>}	C[6a](C[6,6a]C[5,6,6a]C[6])(C[6a]C[6a]Br)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	121.1880	0.000	1	121.1880	0.000	1	121.1880	0.000	1	122.0295	3.186	33	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	4:3:2:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[3,6]-4:C[6,6a]-3:O-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]C[3,6]HO)(C[6a]C[6a]H)	C[6](C[3,6]C[3,6,6]C[6a]O[3])(C[6,6a]C[6,6a]C[6a])(OH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]C[3,6]HO)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[3,6]C[3,6,6]C[6a]O[3])(C[6,6a]C[6,6a]C[6a])(OH)(H){1|H<1>,1|N<3>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	120.2537	0.504	3	120.2537	0.254	3	120.2537	0.254	3	122.0295	3.186	33	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	4:3:2:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[3x6]-4:C[6,6a]-3:O-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[3x6]HO)(C[6a]C[6a]H)	C[6](C[3x6]C[5,3x6]C[3x6]H)(C[6,6a]C[6,6a]C[6a])(OC)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[3x6]HO)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[3x6]C[5,3x6]C[3x6]H)(C[6,6a]C[6,6a]C[6a])(OC)(H){2|C<3>,3|H<1>,4|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	122.6670	0.000	1	122.6670	0.000	1	120.3591	2.328	7	122.0295	3.186	33	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	4:3:2:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[3x6]-4:C[6,6a]-3:O-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[3x6]HO)(C[6a]C[6a]H)	C[6](C[3x6]C[5,3x6]C[3x6]H)(C[6,6a]C[6,6a]C[6a])(OH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[3x6]HO)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[3x6]C[5,3x6]C[3x6]H)(C[6,6a]C[6,6a]C[6a])(OH)(H){2|C<3>,3|H<1>,4|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	122.2060	0.000	1	122.2060	0.000	1	120.3591	2.328	7	122.0295	3.186	33	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	4:3:2:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[3x6]-4:C[6,6a]-3:O-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[3x6]HO)(C[6a]C[6a]H)	C[6](C[3x6]C[5,4x6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(OH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[3x6]HO)(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	C[6](C[3x6]C[5,4x6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(OH)(H){1|C<4>,2|N<3>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	119.7048	0.620	4	119.5282	0.444	5	120.3591	2.328	7	122.0295	3.186	33	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	4:3:2:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[3x6]-4:C[6,6a]-3:O-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[3x6]HO)(C[6a]C[6a]H)	C[6](C[3x6]C[5,4x6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(OH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[3x6]HO)(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	C[6](C[3x6]C[5,4x6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(OH)(H){2|C<3>,2|C<4>,2|N<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	118.8220	0.000	1	119.5282	0.444	5	120.3591	2.328	7	122.0295	3.186	33	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	4:3:2:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[5,6,6]-4:C[6,6a]-3:O-2:H-1:	C[6a,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6,6]HO)(C[6a]C[6a,6a]H)	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(OC)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6,6]HO)(C[6a]C[6a,6a]H){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(OC)(H){4|C<3>,4|C<4>,4|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	124.4035	0.076	2	124.4035	0.006	2	124.4035	0.006	2	122.0295	3.186	33	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	4:3:2:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[5,6]-4:C[6,6a]-3:O-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[5,6]HO)(C[6a]C[6a]H)	C[6](C[5,6]C[6,6]C[5]O[5])(C[6,6a]C[6,6a]C[6a])(OSi)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[5,6]HO)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	C[6](C[5,6]C[6,6]C[5]O[5])(C[6,6a]C[6,6a]C[6a])(OSi)(H){2|H<1>,3|C<4>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	123.9300	0.000	1	123.9300	0.000	1	122.8056	2.084	17	122.0295	3.186	33	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	4:3:2:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[5,6]-4:C[6,6a]-3:O-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HO)(C[6a]C[6a]H)	C[6](C[5,6]C[5,6]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(OH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HO)(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(OH)(H){1|O<2>,3|C<4>,4|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	124.0090	0.000	1	124.0090	0.000	1	122.8056	2.084	17	122.0295	3.186	33	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	4:3:2:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[5,6]-4:C[6,6a]-3:O-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HO)(C[6a]C[6a]H)	C[6](C[5,6]C[5,6]C[6a]C[5])(C[6,6a]C[6,6a]C[6a])(OH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HO)(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	C[6](C[5,6]C[5,6]C[6a]C[5])(C[6,6a]C[6,6a]C[6a])(OH)(H){1|H<1>,8|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	119.6450	0.000	1	119.6450	0.000	1	122.8056	2.084	17	122.0295	3.186	33	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	4:3:2:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[5,6]-4:C[6,6a]-3:O-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HO)(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(OH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HO)(C[6a]C[6a]H){1|C<4>,2|H<1>,2|N<3>,3|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(OH)(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	121.5645	1.293	2	121.5645	1.673	2	122.8056	2.084	17	122.0295	3.186	33	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	4:3:2:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[5,6]-4:C[6,6a]-3:O-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HO)(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(OSi)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HO)(C[6a]C[6a]H){1|C<4>,2|H<1>,2|N<3>,3|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(OSi)(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	122.8100	0.000	1	122.8100	0.000	1	122.8056	2.084	17	122.0295	3.186	33	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	4:3:2:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[5,6]-4:C[6,6a]-3:O-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HO)(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]N[5,6]O)(C[6,6a]C[6,6a]C[6a])(OH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HO)(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[5,6]C[5,6a]N[5,6]O)(C[6,6a]C[6,6a]C[6a])(OH)(H){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	120.5930	0.000	1	120.5930	0.000	1	122.8056	2.084	17	122.0295	3.186	33	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	4:3:2:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[5,6]-4:C[6,6a]-3:O-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]HO)(C[6a]C[6a]H)	C[6](C[5,6]C[5,6]C[6a]C[5])(C[6,6a]C[6,6a]C[6a])(OH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]HO)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6]C[6a]C[5])(C[6,6a]C[6,6a]C[6a])(OH)(H){1|N<2>,3|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,1|O<2>,2|H<1>}	122.4387	0.403	3	122.4387	0.163	3	122.8056	2.084	17	122.0295	3.186	33	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	4:3:2:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[5,6]-4:C[6,6a]-3:O-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[5,6]HO)(C[6a]C[6a]H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(OH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[5a]C[6a])(H)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[5,6]HO)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(OH)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[5a]C[6a])(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>,2|O<2>}	122.6230	0.000	1	122.6230	0.000	1	122.8056	2.084	17	122.0295	3.186	33	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	4:3:2:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[5,6]-4:C[6,6a]-3:O-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[5,6]HO)(C[6a]C[6a]H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(OH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[5,6]HO)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(OH)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>,3|C<3>}	123.0330	0.000	1	123.0330	0.000	1	122.8056	2.084	17	122.0295	3.186	33	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	4:3:2:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[5,6]-4:C[6,6a]-3:O-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[5,6]HO)(C[6a]C[6a]H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(OH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[5,6]HO)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(OH)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	123.7660	0.000	1	123.9793	0.492	3	122.8056	2.084	17	122.0295	3.186	33	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	4:3:2:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[5,6]-4:C[6,6a]-3:O-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[5,6]HO)(C[6a]C[6a]H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(OH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[5,6]HO)(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(OH)(H){2|N<3>,3|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	124.0860	0.957	2	123.9793	0.492	3	122.8056	2.084	17	122.0295	3.186	33	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	4:3:2:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[5,6]-4:C[6,6a]-3:O-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]C[5,6]HO)(C[6a]C[6a]H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(OH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]C[5,6]HO)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(OH)(H){1|N<3>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	124.7770	0.000	1	124.7770	0.000	1	122.8056	2.084	17	122.0295	3.186	33	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	4:3:2:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[5,6]-4:C[6,6a]-3:O-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]C[5,6]HO)(C[6a]C[6a]H)	C[6](C[5,6]C[5,6,6]C[6a]O[5])(C[6,6a]C[6,6a]C[6a])(OH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]C[5,6]HO)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6,6]C[6a]O[5])(C[6,6a]C[6,6a]C[6a])(OH)(H){1|H<1>,2|N<3>,6|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	123.8920	0.000	1	123.8920	0.000	1	122.8056	2.084	17	122.0295	3.186	33	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	4:3:2:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6]-4:C[6,6a]-3:O-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HO)(C[6a]C[6a]H)	C[6](C[6,6]C[6,6a]O[6,6]H)(C[6,6a]C[6,6a]C[6a])(OH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HO)(C[6a]C[6a]H){2|C<3>,2|O<2>,4|H<1>}	C[6](C[6,6]C[6,6a]O[6,6]H)(C[6,6a]C[6,6a]C[6a])(OH)(H){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	122.6920	0.000	1	122.6920	0.000	1	122.6995	0.000	2	122.0295	3.186	33	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	4:3:2:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6]-4:C[6,6a]-3:O-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6]HO)(C[6a]C[6a]H)	C[6](C[6,6]C[6,6]C[6a]C[6])(C[6,6a]C[6,6a]C[6a])(OC)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6]HO)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6]C[6,6]C[6a]C[6])(C[6,6a]C[6,6a]C[6a])(OC)(H){1|N<2>,2|C<4>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,1|O<2>,2|H<1>}	122.7070	0.000	1	122.7070	0.000	1	122.6995	0.000	2	122.0295	3.186	33	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	4:3:2:1:	3:3:1:	N[6,6a]-3:C[6]-4:C[6a]-3:	C[5,6]-4:C[6,6a]-3:O-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](N[6,6a]C[5,6]C[6a])(C[6]C[5,6]HO)(C[6a]C[6a]H)	C[6](C[5,6]C[5,5]O[5,6]H)(C[6,6a]N[6,6a]C[6a])(OH)(H)	C[6a](C[6,6a]N[6,6a]C[6])(C[6a]N[6a]O)(H)	C[6,6a](N[6,6a]C[5,6]C[6a])(C[6]C[5,6]HO)(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<4>,2|H<1>,2|O<1>}	C[6](C[5,6]C[5,5]O[5,6]H)(C[6,6a]N[6,6a]C[6a])(OH)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6,6a]N[6,6a]C[6])(C[6a]N[6a]O)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	120.6110	0.000	1	120.6110	0.000	1	120.6110	0.000	1	122.0295	3.186	33	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	4:3:2:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6]-4:C[6,6a]-3:S-2:H-1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6a]C[5,6a]C[6])(C[6]C[6,6]HS)(C[6a]C[6a]O)	C[6](C[6,6]C[6,6]N[6,6]H)(C[6,6a]C[6,6a]C[6a])(SC)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[5,6a]C)(OC)	C[6,6a](C[6,6a]C[5,6a]C[6])(C[6]C[6,6]HS)(C[6a]C[6a]O){1|C<3>,1|N<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]N[6,6]H)(C[6,6a]C[6,6a]C[6a])(SC)(H){1|H<1>,1|N<3>,1|O<2>,2|C<4>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[5,6a]C)(OC){1|C<3>,1|H<1>,1|O<2>,1|S<2>,2|C<4>}	121.5760	0.000	1	121.5760	0.000	1	121.5760	0.000	1	121.5760	0.000	1	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	4:3:3:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[5,6]-4:C[6,6a]-3:C-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]CH)(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6,6a]C[6,6a]C[6a])(CCH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]CH)(C[6a]C[6a]H){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6,6a]C[6,6a]C[6a])(CCH)(H){2|H<1>,2|N<3>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	123.5400	0.000	1	123.5400	0.000	1	123.5115	0.592	4	120.2225	4.704	20	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	4:3:3:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[5,6]-4:C[6,6a]-3:C-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]CH)(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6,6a]C[6,6a]C[6a])(COO)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]CH)(C[6a]C[6a]H){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6,6a]C[6,6a]C[6a])(COO)(H){2|H<1>,2|N<3>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	122.7330	0.000	1	122.9765	0.119	2	123.5115	0.592	4	120.2225	4.704	20	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	4:3:3:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[5,6]-4:C[6,6a]-3:C-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]CH)(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6,6a]C[6,6a]C[6a])(COO)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]CH)(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6,6a]C[6,6a]C[6a])(COO)(H){2|H<1>,2|N<3>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	123.2200	0.000	1	122.9765	0.119	2	123.5115	0.592	4	120.2225	4.704	20	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	4:3:3:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[5,6]-4:C[6,6a]-3:C-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]CH)(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(CCH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]CH)(C[6a]C[6a]H){1|C<4>,1|S<4>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(CCH)(H){1|O<1>,2|H<1>,2|N<3>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	124.5530	0.000	1	124.5530	0.000	1	123.5115	0.592	4	120.2225	4.704	20	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	4:3:3:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[5,6]C[6a]H)(C[6a]C[6a]H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[5,6]C[6a]H)(C[6a]C[6a]H){1|Cl<1>,2|C<4>,3|H<1>,4|C<3>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|C<4>,4|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H){2|C<3>,2|C<4>,2|H<1>}	118.6220	0.000	1	118.6220	0.000	1	118.8555	0.394	4	120.2225	4.704	20	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	4:3:3:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[5,6]C[6a]H)(C[6a]C[6a]H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[5,6]C[6a]H)(C[6a]C[6a]H){2|C<4>,4|C<3>,4|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|C<4>,4|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,2|C<3>,2|C<4>}	119.0610	0.000	1	118.5970	0.431	2	118.8555	0.394	4	120.2225	4.704	20	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	4:3:3:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[5,6]C[6a]H)(C[6a]C[6a]H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[5,6]C[6a]H)(C[6a]C[6a]H){2|C<4>,4|C<3>,4|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|C<4>,4|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	118.1330	0.000	1	118.5970	0.431	2	118.8555	0.394	4	120.2225	4.704	20	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	4:3:3:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(C[6a]C[6a]H)	C[6](C[5,6]C[5,6,6a]C[6a]O[5])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(C[6a]C[6a]H){1|O<2>,2|H<1>,6|C<3>}	C[6](C[5,6]C[5,6,6a]C[6a]O[5])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H){1|C<4>,3|H<1>,8|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	119.6060	0.000	1	119.6060	0.000	1	118.8555	0.394	4	120.2225	4.704	20	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	4:3:3:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[5,6]-4:C[6,6a]-3:N-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]HN)(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6,6a]C[6,6a]C[6a])(NHS)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]HN)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6,6a]C[6,6a]C[6a])(NHS)(H){1|H<1>,1|N<2>,1|N<3>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|N<3>}	121.0225	1.445	2	121.0225	2.087	2	121.0225	2.087	2	120.2225	4.704	20	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	4:3:3:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6]-4:C[6,6a]-3:C-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]CH)(C[6a]C[6a]H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(CC[6a]O)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]CH)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(CC[6a]O)(H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	118.0590	0.000	1	118.0873	1.203	3	119.7270	3.723	6	120.2225	4.704	20	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	4:3:3:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6]-4:C[6,6a]-3:C-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]CH)(C[6a]C[6a]H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(CC[6a]O)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]CH)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(CC[6a]O)(H){2|C<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	119.1980	0.000	1	118.0873	1.203	3	119.7270	3.723	6	120.2225	4.704	20	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	4:3:3:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6]-4:C[6,6a]-3:C-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]CH)(C[6a]C[6a]H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(CC[6a]O)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]CH)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(CC[6a]O)(H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	117.0050	0.000	1	118.0873	1.203	3	119.7270	3.723	6	120.2225	4.704	20	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	4:3:3:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6]-4:C[6,6a]-3:C-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]CH)(C[6a]C[6a]H)	C[6](C[6,6]C[6,6a]O[6,6]H)(C[6,6a]C[6,6a]C[6a])(CC[6a]O)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]CH)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[6,6]C[6,6a]O[6,6]H)(C[6,6a]C[6,6a]C[6a])(CC[6a]O)(H){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	121.2640	0.124	2	121.2640	0.015	2	119.7270	3.723	6	120.2225	4.704	20	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	4:3:3:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6]-4:C[6,6a]-3:C-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]CH)(C[6a]C[6a]H)	C[6](C[6,6]C[6,6]C[6a]O[6])(C[6,6a]C[6,6a]C[6a])(CC[6a]O)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]CH)(C[6a]C[6a]H){1|O<2>,3|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6a]O[6])(C[6,6a]C[6,6a]C[6a])(CC[6a]O)(H){1|C<4>,1|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	121.5720	0.000	1	121.5720	0.000	1	119.7270	3.723	6	120.2225	4.704	20	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	4:3:3:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]C[6a]H)(C[6a]C[6a]H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]C[6a]H)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<2>,3|H<1>,4|C<3>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H){1|C<4>,4|H<1>,7|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	118.9655	0.153	2	118.9655	0.024	2	118.9655	0.024	2	120.2225	4.704	20	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	4:3:3:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6]-4:C[6,6a]-3:N-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HN)(C[6a]C[6a]H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(NCH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HN)(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(NCH)(H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	118.3220	1.345	2	118.3220	1.809	2	118.3220	1.809	2	120.2225	4.704	20	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	4:3:3:4:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[5,6]-4:C[6,6a]-3:O-3:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]CO)(C[6a]C[6a]H)	C[6](C[5,6]C[6,6a]C[5]N[5])(C[6,6a]C[6,6a]C[6a])(OAl2)(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]CO)(C[6a]C[6a]H){1|C<4>,1|N<4>,2|H<1>,3|C<3>}	C[6](C[5,6]C[6,6a]C[5]N[5])(C[6,6a]C[6,6a]C[6a])(OAl2)(CH3){1|C<4>,3|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<3>,2|C<3>,2|C<4>}	124.9400	0.000	1	124.9400	0.000	1	124.9400	0.000	1	124.9400	0.000	1	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	4:3:4:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	B[3x6]-4:C[6,6a]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]B[3x6]CH)(C[6a]C[6a]H)	C[6](B[3x6]C[6,6]2N[6,6])(C[6,6a]C[6,6a]C[6a])(CCCH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]B[3x6]CH)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6](B[3x6]C[6,6]2N[6,6])(C[6,6a]C[6,6a]C[6a])(CCCH)(H){3|H<1>,4|C<3>,4|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|B<4>,1|C<4>,2|C<3>,2|H<1>}	122.1380	0.597	6	122.1380	0.357	6	122.1587	0.300	7	122.1053	3.429	12	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	4:3:4:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	B[3x6]-4:C[6,6a]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]B[3x6]CH)(C[6a]C[6a]H)	C[6](B[3x6]N[6,6a]C[6,6]2)(C[6,6a]C[6,6a]C[6a])(CCCH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]B[3x6]CH)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6](B[3x6]N[6,6a]C[6,6]2)(C[6,6a]C[6,6a]C[6a])(CCCH)(H){3|H<1>,4|C<3>,4|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|B<4>,1|C<4>,2|C<3>,2|H<1>}	122.2830	0.000	1	122.2830	0.000	1	122.1587	0.300	7	122.1053	3.429	12	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	4:3:4:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[5,6,6]-4:C[6,6a]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6,6]CH)(C[6a]C[6a]H)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6a]C[6,6a]C[6a])(CH3)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6,6]CH)(C[6a]C[6a]H){1|C<3>,1|S<4>,2|C<4>,3|H<1>}	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6a]C[6,6a]C[6a])(CH3)(H){1|C<4>,1|N<3>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	124.8760	0.000	1	124.8760	0.000	1	124.8760	0.000	1	122.1053	3.429	12	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	4:3:4:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[5,6]-4:C[6,6a]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]CH)(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(CCHH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]CH)(C[6a]C[6a]H){1|C<4>,1|S<4>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(CCHH)(H){1|O<1>,2|H<1>,2|N<3>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	125.6230	0.000	1	125.6230	0.000	1	122.4765	19.801	2	122.1053	3.429	12	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	4:3:4:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[5,6]-4:C[6,6a]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]CH)(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(CCHH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]CH)(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|H<1>,3|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(CCHH)(H){1|N<3>,1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	119.3300	0.000	1	119.3300	0.000	1	122.4765	19.801	2	122.1053	3.429	12	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	4:3:4:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6]-4:C[6,6a]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[5,6a]C[6])(C[6]C[6,6]CH)(C[6a]C[6a]H)	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]C[6a])(CH3)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[5,6a]H)(H)	C[6,6a](C[6,6a]C[5,6a]C[6])(C[6]C[6,6]CH)(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]C[6a])(CH3)(H){1|H<1>,2|C<4>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[5,6a]H)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	119.6190	0.000	1	119.6190	0.000	1	120.1620	0.590	2	122.1053	3.429	12	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	4:3:4:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6]-4:C[6,6a]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]CH)(C[6a]C[6a]H)	C[6](C[6,6]C[6,6]C[6a]C[6])(C[6,6a]C[6,6a]C[6a])(CBrHH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]CH)(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6a]C[6])(C[6,6a]C[6,6a]C[6a])(CBrHH)(H){2|C<4>,4|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	120.7050	0.000	1	120.7050	0.000	1	120.1620	0.590	2	122.1053	3.429	12	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	4:3:4:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[3x6]-4:C[6,6a]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6a]C[3x6]C[6a])(C[6]C[3x6]CH)(C[6a]C[6a]O)	C[6](C[3x6]C[4x6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(CH3)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC)	C[6,6a](C[6,6a]C[3x6]C[6a])(C[6]C[3x6]CH)(C[6a]C[6a]O){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[3x6]C[4x6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(CH3)(H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>,3|C<4>}	119.2390	0.000	1	119.2390	0.000	1	119.2390	0.000	1	120.5290	3.328	2	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	4:3:4:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[5,6]-4:C[6,6a]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]CH)(C[6a]C[6a]O)	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(CH3)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]CH)(C[6a]C[6a]O){1|C<4>,2|C<3>,2|H<1>,2|N<3>}	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(CH3)(H){1|H<1>,1|N<3>,2|O<2>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	121.8190	0.000	1	121.8190	0.000	1	121.8190	0.000	1	120.5290	3.328	2	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	4:3:4:2:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[3x6]-4:C[6,6a]-3:C-4:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[3x6]CO)(C[6a]C[6a]H)	C[6](C[3x6]C[5,4x6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(CH3)(OH)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[3x6]CO)(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	C[6](C[3x6]C[5,4x6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(CH3)(OH){1|C<4>,2|N<3>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	118.3740	0.062	2	118.3740	0.004	2	118.3740	0.004	2	122.3936	6.586	14	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	4:3:4:2:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[5,6]-4:C[6,6a]-3:C-4:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]CO)(C[6a]C[6a]H)	C[6](C[5,6]C[6,6a]C[5]N[5])(C[6,6a]C[6,6a]C[6a])(CCHH)(OH)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]CO)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6](C[5,6]C[6,6a]C[5]N[5])(C[6,6a]C[6,6a]C[6a])(CCHH)(OH){1|C<4>,3|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	121.4960	0.332	2	121.4960	0.110	2	122.7605	3.579	11	122.3936	6.586	14	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	4:3:4:2:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[5,6]-4:C[6,6a]-3:C-4:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]CO)(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]C[5]N[6])(C[6,6a]C[6,6a]C[6a])(CH3)(OH)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]CO)(C[6a]C[6a]H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6a]C[5]N[6])(C[6,6a]C[6,6a]C[6a])(CH3)(OH){1|C<4>,1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	121.8435	0.028	2	121.8435	0.001	2	122.7605	3.579	11	122.3936	6.586	14	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	4:3:4:2:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[5,6]-4:C[6,6a]-3:C-4:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[5,6]CO)(C[6a]C[6a]H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(CH3)(OH)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[5,6]CO)(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(CH3)(OH){1|C<4>,2|C<3>,2|N<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	121.7120	4.354	2	123.3839	4.680	7	122.7605	3.579	11	122.3936	6.586	14	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	4:3:4:2:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[5,6]-4:C[6,6a]-3:C-4:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[5,6]CO)(C[6a]C[6a]H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(CH3)(OH)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[5,6]CO)(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(CH3)(OH){2|N<3>,3|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	124.0526	0.568	5	123.3839	4.680	7	122.7605	3.579	11	122.3936	6.586	14	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	4:3:4:2:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6]-4:C[6,6a]-3:C-4:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[6,6]CO)(C[6a]C[6a]H)	C[6](C[6,6]C[4,5,6,6]C[6]H)(C[6,6a]C[6,6a]C[6a])(CH3)(OH)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[6,6]CO)(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6]C[4,5,6,6]C[6]H)(C[6,6a]C[6,6a]C[6a])(CH3)(OH){1|C<4>,2|N<3>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	126.3970	0.000	1	126.3970	0.000	1	126.3970	0.000	1	122.3936	6.586	14	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	4:3:4:4:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[5,6]-4:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]CC)(C[6a]C[6a]H)	C[6](C[5,6]C[5,3x6]C[5]H)(C[6,6a]C[6,6a]C[6a])(CH3)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]CC)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,3x6]C[5]H)(C[6,6a]C[6,6a]C[6a])(CH3)2{2|C<4>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,3|C<4>}	123.1280	0.024	2	123.1280	0.001	2	122.7857	0.352	3	122.7857	0.352	3	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	4:3:4:4:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[5,6]-4:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]CC)(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6,6a]C[6,6a]C[6a])(CCHH)(CHHO)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]CC)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6,6a]C[6,6a]C[6a])(CCHH)(CHHO){1|H<1>,1|N<2>,1|N<3>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	122.1010	0.000	1	122.1010	0.000	1	122.7857	0.352	3	122.7857	0.352	3	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	3:4:3:	4:3:4:4:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6]-4:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[6,6]CC)(C[6a]C[6a]O)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6,6a]C[6a])(CH3)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[6,6]CC)(C[6a]C[6a]O){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6,6a]C[6a])(CH3)2{2|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,4|C<4>}	122.6400	0.000	1	122.6400	0.000	1	122.6400	0.000	1	122.6400	0.000	1	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:2:1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:O[6a]-2:O-1:	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]O[6])(C[6a]O[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H)	C[6a](C[6,6a]C[6,6a]C[6])(O[6a]C[6a])(O)	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]O[6])(C[6a]O[6a]O){1|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|H<1>,2|N<2>,2|O<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(O[6a]C[6a])(O){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	118.2310	0.000	1	117.9947	0.042	3	117.9947	0.042	3	117.9947	0.042	3	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:2:1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:O[6a]-2:O-1:	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]O[6])(C[6a]O[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H)	C[6a](C[6,6a]C[6,6a]C[6])(O[6a]C[6a])(O)	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]O[6])(C[6a]O[6a]O){1|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H){2|H<1>,2|O<1>,3|O<2>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(O[6a]C[6a])(O){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	117.8765	0.019	2	117.9947	0.042	3	117.9947	0.042	3	117.9947	0.042	3	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:2:3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6a]-2:N-3:	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]N[6a]O[6])(C[6a]N[6a]N)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H)	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])(NC[6a]H)	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]N[6a]O[6])(C[6a]N[6a]N){5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|H<1>,2|N<2>,2|O<2>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])(NC[6a]H){1|N<2>,1|O<2>,2|C<3>,2|H<1>}	123.4210	0.000	1	123.4210	0.000	1	123.4210	0.000	1	123.4210	0.000	1	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6a]-3:O-1:	C[6,6a](C[6]C[5a,6]C[6a]H)(C[6,6a]N[6a]O[6])(C[6a]N[6a]O)	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]2)(O)	C[6,6a](C[6]C[5a,6]C[6a]H)(C[6,6a]N[6a]O[6])(C[6a]N[6a]O){6|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>,2|N<2>,2|N<3>}	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]2)(O){1|H<1>,1|N<2>,1|N<3>,1|O<2>,4|C<3>}	117.2270	0.000	1	117.2270	0.000	1	117.2270	0.000	1	120.7169	3.074	83	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|N<3>,2|H<1>,3|C<3>}	119.0510	0.000	1	119.0510	0.000	1	119.0510	0.000	1	120.7169	3.074	83	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5a]-3:C[6,6]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6]C[6,6]C[5a]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[6,6]C[6,6]C[6])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6]C[6,6]C[5a]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[6,6]C[6,6]C[6])(H){1|N<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|H<1>,3|C<3>}	121.1980	0.000	1	121.1980	0.000	1	121.1980	0.000	1	120.7169	3.074	83	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]N[6])(C[6a]C[5,6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H)	C[6,6a](C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]N[6])(C[6a]C[5,6a]H){1|H<1>,1|O<2>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|O<1>,2|C<4>,2|N<2>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H){1|C<4>,1|H<1>,1|N<2>,1|O<2>,3|C<3>}	119.2130	0.000	1	118.9615	0.287	4	118.9615	0.287	4	120.7169	3.074	83	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]N[6])(C[6a]C[5,6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H)	C[6,6a](C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]N[6])(C[6a]C[5,6a]H){1|O<2>,2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,3|C<3>}	118.8777	0.623	3	118.9615	0.287	4	118.9615	0.287	4	120.7169	3.074	83	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|O<2>,2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,2|O<2>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|N<3>,2|H<1>,3|C<3>}	120.8850	0.000	1	120.8850	0.000	1	121.5010	0.215	4	120.7169	3.074	83	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H)	C[6,6a](C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|Br<1>,1|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,2|C<4>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H){1|O<2>,2|H<1>,3|C<3>}	121.4230	0.000	1	121.4230	0.000	1	121.5010	0.215	4	120.7169	3.074	83	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|H<1>,1|O<2>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,2|C<4>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|H<1>,3|C<3>}	121.9460	0.000	1	121.8480	0.019	2	121.5010	0.215	4	120.7169	3.074	83	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|N<2>,1|O<2>,2|C<4>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|H<1>,3|C<3>}	121.7500	0.000	1	121.8480	0.019	2	121.5010	0.215	4	120.7169	3.074	83	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6a]-3:O-1:	C[6,6a](C[6]C[6,6]C[6a]H)(C[6,6a]N[6a]N[6])(C[6a]N[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]C)(O)	C[6,6a](C[6]C[6,6]C[6a]H)(C[6,6a]N[6a]N[6])(C[6a]N[6a]O){1|H<1>,2|C<4>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|C<4>,1|N<2>,1|O<1>,2|N<3>,3|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]C)(O){1|H<1>,1|N<2>,1|N<3>,1|S<2>,2|C<3>}	119.9700	0.000	1	119.9700	0.000	1	119.3067	0.396	4	120.7169	3.074	83	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6a]-3:O-1:	C[6,6a](C[6]C[6,6]C[6a]H)(C[6,6a]N[6a]N[6])(C[6a]N[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]H)(O)	C[6,6a](C[6]C[6,6]C[6a]H)(C[6,6a]N[6a]N[6])(C[6a]N[6a]O){2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|N<2>,2|H<1>,2|N<3>,2|O<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]H)(O){1|H<1>,1|N<2>,1|N<3>,1|S<2>,2|C<3>}	119.0857	0.549	3	119.0857	0.301	3	119.3067	0.396	4	120.7169	3.074	83	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[5]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6]C[6,6a]C[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[5]C[5,6a]C[5])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6]C[6,6a]C[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[5]C[5,6a]C[5])(H){1|N<3>,2|H<1>,8|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|H<1>,3|C<3>}	119.5675	0.286	2	119.5675	0.082	2	119.5675	0.082	2	120.7169	3.074	83	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[5a]-3:Cl-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6]C[6,6a]C[5a]Cl)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[5a]C[5a]N[5a])(Cl)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6]C[6,6a]C[5a]Cl)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<2>,1|O<1>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[5a]C[5a]N[5a])(Cl){1|O<2>,2|H<1>,7|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,4|C<3>}	119.1587	0.193	4	119.1587	0.037	4	119.1587	0.037	4	120.7169	3.074	83	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[5a]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6]C[6,6a]C[5a]H)(C[6,6a]C[6a]S[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[5a]C[5a]O[5a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6]C[6,6a]C[5a]H)(C[6,6a]C[6a]S[6])(C[6a]C[6a]H){1|O<2>,2|H<1>,2|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[5a]C[5a]O[5a])(H){1|S<4>,3|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|S<4>,2|H<1>,3|C<3>}	120.1160	0.098	2	120.1160	0.010	2	120.1160	0.010	2	120.7169	3.074	83	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[6,6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H)	C[6a](C[6,6a]C[6,6a]C[6])2(H)	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[6,6a]H){2|C<4>,2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H){1|C<4>,4|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])2(H){2|C<4>,2|H<1>,5|C<3>}	121.6132	1.338	8	121.9618	3.009	16	121.9618	3.009	16	120.7169	3.074	83	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[6,6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H)	C[6a](C[6,6a]C[6,6a]C[6])2(H)	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[6,6a]H){2|C<4>,2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H){2|C<4>,3|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])2(H){2|C<4>,2|H<1>,5|C<3>}	122.3104	2.093	8	121.9618	3.009	16	121.9618	3.009	16	120.7169	3.074	83	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,3|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H){1|O<2>,2|C<4>,2|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	123.7335	0.115	2	124.4507	0.812	4	121.0359	3.374	32	120.7169	3.074	83	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,3|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H){1|C<4>,4|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	125.1680	0.604	2	124.4507	0.812	4	121.0359	3.374	32	120.7169	3.074	83	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|H<1>,2|O<2>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H){2|C<4>,3|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	123.2090	0.409	2	123.2090	0.167	2	121.0359	3.374	32	120.7169	3.074	83	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]I[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]I[6])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H){1|I<2>,4|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|I<2>,2|H<1>,3|C<3>}	119.9695	0.477	2	119.9695	0.228	2	121.0359	3.374	32	120.7169	3.074	83	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H){1|N<3>,4|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|H<1>,3|C<3>}	121.1833	0.943	4	120.6319	0.754	8	121.0359	3.374	32	120.7169	3.074	83	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|Li<4>,2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H){1|N<3>,4|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|H<1>,3|C<3>}	120.1645	0.295	2	120.6319	0.754	8	121.0359	3.374	32	120.7169	3.074	83	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H){1|N<3>,4|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|H<1>,3|C<3>}	119.9965	0.254	2	120.6319	0.754	8	121.0359	3.374	32	120.7169	3.074	83	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a,6a]C[6a])(H){1|O<2>,3|H<1>,7|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|H<1>,3|C<3>}	120.9554	0.490	5	120.9554	0.240	5	121.0359	3.374	32	120.7169	3.074	83	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|H<1>,1|O<2>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a,6a]C[6a])(H){1|O<2>,3|H<1>,7|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|O<2>,2|H<1>,3|C<3>}	121.1080	0.000	1	121.1080	0.000	1	121.0359	3.374	32	120.7169	3.074	83	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H){1|H<1>,1|O<2>,2|C<3>,2|O<1>,5|N<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|H<1>,3|C<3>}	121.3890	0.000	1	121.2880	0.147	4	121.0359	3.374	32	120.7169	3.074	83	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H){1|H<1>,2|N<3>,2|O<1>,3|C<3>,3|O<2>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|H<1>,3|C<3>}	121.5070	0.000	1	121.2880	0.147	4	121.0359	3.374	32	120.7169	3.074	83	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H){1|O<2>,4|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|H<1>,3|C<3>}	121.1280	0.576	2	121.2880	0.147	4	121.0359	3.374	32	120.7169	3.074	83	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]P[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]P[6])(C[6a]C[6a]H){1|O<1>,2|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H){1|C<4>,1|P<4>,3|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,1|P<4>,3|C<3>}	118.6365	0.282	2	118.8160	1.108	6	121.0359	3.374	32	120.7169	3.074	83	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]P[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]P[6])(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H){1|P<4>,4|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|P<4>,3|C<3>}	119.1160	1.021	2	118.8160	1.108	6	121.0359	3.374	32	120.7169	3.074	83	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]P[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]P[6])(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H){1|P<4>,4|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|P<4>,2|H<1>,3|C<3>}	118.6955	2.036	2	118.8160	1.108	6	121.0359	3.374	32	120.7169	3.074	83	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6a]-3:O-1:	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]N[6a]N[6])(C[6a]N[6a]O)	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]H)(O)	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]N[6a]N[6])(C[6a]N[6a]O){3|H<1>,5|C<3>}	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H){1|O<1>,2|H<1>,3|N<3>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]H)(O){1|H<1>,1|O<1>,2|C<3>,2|N<3>}	123.3470	0.000	1	123.3470	0.000	1	120.3690	3.977	4	120.7169	3.074	83	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6a]-3:O-1:	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]N[6a]O[6])(C[6a]N[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H)	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]C)(O)	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]N[6a]O[6])(C[6a]N[6a]O){2|C<4>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H){1|H<1>,1|O<2>,2|C<3>,2|O<1>,5|N<3>}	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]C)(O){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	119.1150	0.000	1	119.3340	0.096	2	120.3690	3.977	4	120.7169	3.074	83	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6a]-3:O-1:	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]N[6a]O[6])(C[6a]N[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H)	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]C)(O)	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]N[6a]O[6])(C[6a]N[6a]O){2|C<4>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H){1|H<1>,2|N<3>,2|O<1>,3|C<3>,3|O<2>}	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]C)(O){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	119.5530	0.000	1	119.3340	0.096	2	120.3690	3.977	4	120.7169	3.074	83	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6a]-3:O-1:	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]N[6a]O[6])(C[6a]N[6a]O)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]C)(O)	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]N[6a]O[6])(C[6a]N[6a]O){2|C<4>,5|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,2|H<1>,2|N<3>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]C)(O){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	119.4610	0.000	1	119.4610	0.000	1	120.3690	3.977	4	120.7169	3.074	83	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6,6]-3:C[5a]-3:H-1:	C[6,6a]-3:N[6a]-3:O-1:	C[6,6a](C[6]N[6,6]C[5a]H)(C[6,6a]N[6a]N[6])(C[6a]N[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(C[5a]C[5a]S[5a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]C)(O)	C[6,6a](C[6]N[6,6]C[5a]H)(C[6,6a]N[6a]N[6])(C[6a]N[6a]O){1|S<2>,3|C<3>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(C[5a]C[5a]S[5a])(H){1|C<4>,1|N<2>,1|O<1>,2|N<3>,3|C<3>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]C)(O){1|C<3>,1|H<1>,1|N<2>,1|O<1>,2|N<3>}	119.1610	0.665	2	119.1610	0.442	2	119.1610	0.442	2	120.7169	3.074	83	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6,6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6]N[6,6]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6]N[6,6]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|O<1>,2|C<4>,4|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	121.0380	0.000	1	121.0380	0.000	1	120.4937	0.337	3	120.7169	3.074	83	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6,6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6]N[6,6]C[6a]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H)	C[6,6a](C[6]N[6,6]C[6a]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|C<4>,1|N<2>,5|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	120.2215	0.479	2	120.2215	0.229	2	120.4937	0.337	3	120.7169	3.074	83	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6,6]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6a]-3:O-1:	C[6,6a](C[6]N[6,6]C[6a]H)(C[6,6a]N[6a]N[6])(C[6a]N[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]C)(O)	C[6,6a](C[6]N[6,6]C[6a]H)(C[6,6a]N[6a]N[6])(C[6a]N[6a]O){2|C<4>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|N<2>,1|O<1>,2|N<3>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]C)(O){1|C<3>,1|H<1>,1|N<2>,1|O<1>,2|N<3>}	119.6480	0.000	1	119.6480	0.000	1	119.6480	0.000	1	120.7169	3.074	83	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6,6a]-3:C[6a]-3:	N[5,6]-3:C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6]N[5,6]C[6a]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6](N[5,6]Si[5,6,6]C[5,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6]N[5,6]C[6a]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|Si<5>,2|H<1>,4|C<3>}	C[6](N[5,6]Si[5,6,6]C[5,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H){1|N<3>,2|O<2>,3|H<1>,7|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|O<2>}	120.1350	0.000	1	120.7435	0.741	2	120.7435	0.741	2	120.7169	3.074	83	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6,6a]-3:C[6a]-3:	N[5,6]-3:C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6]N[5,6]C[6a]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6](N[5,6]Si[5,6,6]C[5,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6]N[5,6]C[6a]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|Si<5>,2|H<1>,4|C<3>}	C[6](N[5,6]Si[5,6,6]C[5,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H){1|N<3>,2|O<2>,3|H<1>,7|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	121.3520	0.000	1	120.7435	0.741	2	120.7435	0.741	2	120.7169	3.074	83	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:2:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[5a]-3:H-1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6]C[6,6a]C[5a]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])2(C[5a]C[5a]S[5a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6]C[6,6a]C[5a]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|O<1>,1|S<2>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[5a]C[5a]S[5a])(H){1|H<1>,2|O<2>,7|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){2|H<1>,4|C<3>}	119.2657	0.264	3	119.2657	0.070	3	119.2657	0.070	3	119.7906	0.553	5	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:2:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]O){2|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H){1|N<3>,2|H<1>,2|O<2>,6|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|N<3>,2|H<1>,3|C<3>}	120.5780	0.085	2	120.5780	0.007	2	120.5780	0.007	2	119.7906	0.553	5	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:N-3:	C[6,6a](C[6]C[5a,6]C[6a]H)(C[6,6a]N[6a]O[6])(C[6a]C[6,6a]N)	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6,6a]C[6,6a]C[6])2(NHH)	C[6,6a](C[6]C[5a,6]C[6a]H)(C[6,6a]N[6a]O[6])(C[6a]C[6,6a]N){1|C<4>,5|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H){1|C<4>,1|O<2>,2|H<1>,2|N<2>,2|N<3>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])2(NHH){1|N<2>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	120.7010	0.000	1	120.7010	0.000	1	120.7010	0.000	1	120.7010	0.000	1	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:4:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a](C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CH3)	C[6,6a](C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]C){2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,2|H<1>,3|C<4>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CH3){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	121.9010	0.000	1	121.9010	0.000	1	121.9010	0.000	1	121.9010	0.000	1	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	4:3:3:	3:3:3:2:	3:3:1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6]C[5a,6]C[6a]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(OH)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6]C[5a,6]C[6a]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(OH){1|C<4>,1|N<3>,3|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	119.4390	0.000	1	119.4390	0.000	1	119.4390	0.000	1	120.4830	3.743	64	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	4:3:3:	3:3:3:2:	3:3:1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:C-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6]C[6,6a]C[6a]C)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(CN)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6,6a](C[6]C[6,6a]C[6a]C)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(CN){1|O<2>,3|H<1>,7|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|C<2>,1|N<3>,1|O<2>,3|C<3>}	121.8810	0.318	2	121.8810	0.101	2	121.8810	0.101	2	120.4830	3.743	64	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	4:3:3:	3:3:3:2:	3:3:1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6]C[6,6a]C[6a]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(OH)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6]C[6,6a]C[6a]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,2|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(OH){1|C<4>,4|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	117.5012	0.479	10	117.6053	0.272	12	120.5142	3.858	58	120.4830	3.743	64	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	4:3:3:	3:3:3:2:	3:3:1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6]C[6,6a]C[6a]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(OH)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6]C[6,6a]C[6a]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|H<1>,2|O<2>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(OH){1|C<4>,4|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	118.1260	0.525	2	117.6053	0.272	12	120.5142	3.858	58	120.4830	3.743	64	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	4:3:3:	3:3:3:2:	3:3:1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6]C[6,6a]C[6a]O)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(OC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6]C[6,6a]C[6a]O)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(OC){1|N<3>,4|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	125.7410	0.636	2	125.7410	0.405	2	120.5142	3.858	58	120.4830	3.743	64	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	4:3:3:	3:3:3:2:	3:3:1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6]C[6,6a]C[6a]O)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a,6a]C[6a])(OH)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6]C[6,6a]C[6a]O)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a,6a]C[6a])(OH){1|O<2>,3|H<1>,7|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,2|O<2>,3|C<3>}	120.7193	0.902	6	120.7193	0.814	6	120.5142	3.858	58	120.4830	3.743	64	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	4:3:3:	3:3:3:2:	3:3:1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6]C[6,6a]C[6a]O)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(OC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6]C[6,6a]C[6a]O)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(OC){1|O<2>,3|H<1>,7|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,2|O<2>,3|C<3>}	121.8865	0.250	2	121.0520	0.985	4	120.5142	3.858	58	120.4830	3.743	64	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	4:3:3:	3:3:3:2:	3:3:1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6]C[6,6a]C[6a]O)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(OC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6]C[6,6a]C[6a]O)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(OC){2|O<2>,3|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,2|O<2>,3|C<3>}	120.2175	0.326	2	121.0520	0.985	4	120.5142	3.858	58	120.4830	3.743	64	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	4:3:3:	3:3:3:2:	3:3:1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6]C[6,6a]C[6a]O)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(OH)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6,6a](C[6]C[6,6a]C[6a]O)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|C<4>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(OH){2|O<2>,3|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|H<1>,2|O<2>,3|C<3>}	118.0590	0.228	2	118.0590	0.052	2	120.5142	3.858	58	120.4830	3.743	64	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	4:3:3:	3:3:3:2:	3:3:1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6]C[6,6a]C[6a]O)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(OH)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6]C[6,6a]C[6a]O)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(OH){1|O<2>,4|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,2|O<2>,3|C<3>}	121.3261	0.777	32	121.3261	0.603	32	120.5142	3.858	58	120.4830	3.743	64	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	4:3:3:	3:3:3:2:	3:3:1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6]C[6,6a]C[6a]O)(C[6,6a]C[6a]O[6])(C[6a]C[6a,6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(H)	C[6,6a](C[6]C[6,6a]C[6a]O)(C[6,6a]C[6a]O[6])(C[6a]C[6a,6a]H){1|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(OC){1|O<2>,4|H<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(H){3|O<2>,5|C<3>}	120.3315	0.227	2	120.3315	0.052	2	120.3315	0.052	2	120.4830	3.743	64	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	4:3:3:	3:3:3:2:	3:3:1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[5a,6]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6]N[5a,6]C[6a]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(OH)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6]N[5a,6]C[6a]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<2>,1|O<1>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(OH){1|O<2>,2|H<1>,7|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	117.2240	0.000	1	117.2240	0.000	1	117.2240	0.000	1	120.4830	3.743	64	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	4:3:3:	3:3:3:2:	3:3:2:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6]C[6,6a]C[6a]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(OH)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6]C[6,6a]C[6a]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|H<1>,2|O<2>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(OH){1|O<2>,2|C<4>,2|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	118.6810	0.167	2	118.6810	0.028	2	118.6810	0.028	2	118.6810	0.028	2	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	4:3:3:	3:3:3:2:	3:3:4:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:C-4:	C[6,6a](C[6]C[6,6a]C[6a]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]C)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(OH)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CH3)	C[6,6a](C[6]C[6,6a]C[6a]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]C){1|C<4>,1|H<1>,1|O<2>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(OH){1|O<2>,2|C<4>,2|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CH3){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	117.6875	0.180	2	117.6875	0.033	2	117.6875	0.033	2	117.6875	0.033	2	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6]C[5a,6]C[6a]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6]C[5a,6]C[6a]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,2|H<1>,8|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)2{1|C<4>,1|N<3>,5|H<1>,8|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,4|C<3>}	120.5490	0.000	1	120.5490	0.000	1	120.5490	0.000	1	121.7004	2.299	39	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-3:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6]C[5,6]C[6a]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6]C[5,6]C[6a]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|H<1>,1|O<2>,8|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)2{1|C<2>,1|C<4>,5|H<1>,8|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|H<1>,5|C<3>}	119.3863	0.795	3	119.3863	0.632	3	119.3863	0.632	3	121.7004	2.299	39	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6]C[6,6a]C[6a]2)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)(H)	C[6,6a](C[6]C[6,6a]C[6a]2)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){2|H<1>,8|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)2{1|N<3>,6|H<1>,8|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)(H){1|H<1>,1|N<3>,6|C<3>}	122.9305	0.279	2	122.9305	0.078	2	122.9255	1.713	18	121.7004	2.299	39	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6]C[6,6a]C[6a]2)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6]C[6,6a]C[6a]2)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,7|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)2{1|N<3>,6|H<1>,8|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	123.1680	1.086	4	122.8719	2.203	14	122.9255	1.713	18	121.7004	2.299	39	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6]C[6,6a]C[6a]2)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6]C[6,6a]C[6a]2)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){2|H<1>,8|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)2{1|N<3>,6|H<1>,8|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	122.7534	1.654	10	122.8719	2.203	14	122.9255	1.713	18	121.7004	2.299	39	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6]C[6,6a]C[6a]2)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6]C[6,6a]C[6a]2)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)2{1|O<2>,6|H<1>,8|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,4|C<3>}	123.2960	0.310	2	123.2960	0.096	2	122.9255	1.713	18	121.7004	2.299	39	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6]C[6,6a]C[6a]N)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(NCH)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6]C[6,6a]C[6a]N)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(NCH){1|O<2>,4|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	120.5160	0.103	2	120.5160	0.011	2	120.8793	0.068	17	121.7004	2.299	39	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6]C[6,6a]C[6a]N)(C[6,6a]C[6a]S[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(NCH)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6]C[6,6a]C[6a]N)(C[6,6a]C[6a]S[6])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(NCH){1|S<2>,4|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|S<2>,3|C<3>}	120.9277	0.237	15	120.9277	0.056	15	120.8793	0.068	17	121.7004	2.299	39	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	4:3:3:	3:3:3:3:	3:3:2:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6]C[6,6a]C[6a]N)(C[6,6a]C[6a]O[6])(C[6a]C[6a]O)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(NCH)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6]C[6,6a]C[6a]N)(C[6,6a]C[6a]O[6])(C[6a]C[6a]O){2|H<1>,5|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(NCH){4|O<2>,7|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	121.0050	0.000	1	121.0050	0.000	1	121.0050	0.000	1	121.0050	0.000	1	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	4:3:3:	3:3:3:4:	3:3:1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6]C[5a,6]C[6a]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6]C[5a,6]C[6a]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(CH3){1|C<4>,3|H<1>,7|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,4|C<3>}	117.8900	0.000	1	117.8900	0.000	1	117.8900	0.000	1	121.9793	4.002	11	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	4:3:3:	3:3:3:4:	3:3:1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6]C[6a]C[5]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5]N[5]O[5])(C[6a]C[6a]2)(C[6]C[6]HH)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6]C[6a]C[5]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<2>,1|O<2>,3|C<3>,6|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5]N[5]O[5])(C[6a]C[6a]2)(C[6]C[6]HH){3|C<4>,4|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	119.2980	0.000	1	119.2980	0.000	1	119.2980	0.000	1	121.9793	4.002	11	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	4:3:3:	3:3:3:4:	3:3:1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6]C[6,6a]C[6a]C)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6,6a](C[6]C[6,6a]C[6a]C)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|H<1>,2|C<4>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(CH3){1|N<3>,4|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	122.4467	0.860	8	122.4467	0.739	8	122.7316	1.377	9	121.9793	4.002	11	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	4:3:3:	3:3:3:4:	3:3:1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6]C[6,6a]C[6a]C)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6]C[6,6a]C[6a]C)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(CH3){1|N<3>,4|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	125.0100	0.000	1	125.0100	0.000	1	122.7316	1.377	9	121.9793	4.002	11	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	4:3:3:	3:3:3:4:	3:3:2:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:N-4:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6]C[6,6a]C[6a]N)(C[6,6a]C[6a]O[6])(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(NCHH)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6]C[6,6a]C[6a]N)(C[6,6a]C[6a]O[6])(C[6a]C[6a]O){2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(NCHH){5|O<2>,6|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|H<1>,1|N<4>,1|O<2>,3|C<3>}	120.4090	0.259	2	120.4090	0.067	2	120.4090	0.067	2	120.4090	0.067	2	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[5]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6]C[6,6a]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[5]C[5,6a]C[5]C)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6]C[6,6a]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[5]C[5,6a]C[5]C)(H){1|N<3>,1|O<1>,2|H<1>,7|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	121.3570	0.068	2	121.3570	0.005	2	121.5691	0.720	8	122.5538	1.167	168	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[5]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6]C[6,6a]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[5]C[5]2H)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6]C[6,6a]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[5]C[5]2H)(H){1|N<3>,1|O<1>,4|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	120.6145	0.545	2	120.6145	0.297	2	121.5691	0.720	8	122.5538	1.167	168	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[5]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6]C[6,6a]C[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[5]C[5,6a]2C)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6]C[6,6a]C[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){2|C<4>,2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[5]C[5,6a]2C)(H){1|N<3>,2|H<1>,8|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	121.5960	0.382	2	121.5960	0.146	2	121.5691	0.720	8	122.5538	1.167	168	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[5]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6]C[6,6a]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[5]C[5]2C)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6]C[6,6a]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[5]C[5]2C)(H){1|O<1>,1|O<2>,4|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	122.7090	0.279	2	122.7090	0.078	2	121.5691	0.720	8	122.5538	1.167	168	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:Cl-1:	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]Cl)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2C)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(Cl)	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]Cl){1|C<4>,2|C<2>,2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2C)(H){2|Cl<1>,1|C<4>,8|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(Cl){2|C<3>,2|C<4>,2|H<1>}	123.1210	0.017	4	123.1210	0.000	4	123.4893	0.324	7	122.5538	1.167	168	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:Cl-1:	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]Cl)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(Cl)	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]Cl){1|C<4>,4|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(H){1|Cl<1>,1|C<4>,1|H<1>,8|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(Cl){2|C<3>,2|C<4>,2|H<1>}	124.5790	0.000	1	124.5790	0.000	1	123.4893	0.324	7	122.5538	1.167	168	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:Cl-1:	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]Cl)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6]2H)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(Cl)	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]Cl){2|Cl<1>,2|H<1>,3|C<3>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6]2H)(H){1|Cl<1>,3|C<4>,4|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(Cl){1|Cl<1>,1|H<1>,2|C<3>,2|C<4>}	123.6810	0.373	2	123.6810	0.139	2	123.4893	0.324	7	122.5538	1.167	168	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2C)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,2|C<2>,2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2C)(H){1|C<4>,2|H<1>,8|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	121.8465	0.245	2	122.1693	0.179	35	122.6285	0.896	146	122.5538	1.167	168	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2C)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,7|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2C)(H){1|C<4>,2|H<1>,8|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	122.2534	0.404	29	122.1693	0.179	35	122.6285	0.896	146	122.5538	1.167	168	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2C)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|H<1>,3|C<4>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2C)(H){1|C<4>,2|H<1>,8|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	121.7203	0.265	4	122.1693	0.179	35	122.6285	0.896	146	122.5538	1.167	168	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)(H)	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,3|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(H){1|C<4>,2|H<1>,8|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)(H){2|C<4>,2|H<1>,4|C<3>}	123.5650	0.605	4	123.5650	0.367	4	122.6285	0.896	146	122.5538	1.167	168	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,3|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(H){1|C<4>,2|H<1>,8|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){2|C<3>,2|C<4>,2|H<1>}	122.4035	0.193	2	123.3191	0.348	15	122.6285	0.896	146	122.5538	1.167	168	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<4>,3|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(H){1|C<4>,2|H<1>,8|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|H<1>,2|C<3>,3|C<4>}	123.6183	0.423	10	123.3191	0.348	15	122.6285	0.896	146	122.5538	1.167	168	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<4>,3|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(H){1|C<4>,2|H<1>,8|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){2|C<3>,2|C<4>,2|H<1>}	122.9320	0.316	3	123.3191	0.348	15	122.6285	0.896	146	122.5538	1.167	168	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<2>,1|C<4>,3|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(H){1|C<4>,2|H<1>,8|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	122.8221	0.629	24	122.6912	1.218	73	122.6285	0.896	146	122.5538	1.167	168	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,4|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(H){1|C<4>,2|H<1>,8|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	123.1135	0.786	2	122.6912	1.218	73	122.6285	0.896	146	122.5538	1.167	168	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,4|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(H){1|C<4>,2|H<1>,8|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,3|C<4>}	123.5710	0.546	3	122.6912	1.218	73	122.6285	0.896	146	122.5538	1.167	168	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,4|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(H){1|C<4>,2|H<1>,8|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	123.4763	0.394	6	122.6912	1.218	73	122.6285	0.896	146	122.5538	1.167	168	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,4|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(H){1|C<4>,2|H<1>,8|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	122.8419	0.913	30	122.6912	1.218	73	122.6285	0.896	146	122.5538	1.167	168	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,4|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(H){1|Cl<1>,1|C<4>,1|H<1>,8|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	122.5990	0.000	1	122.6912	1.218	73	122.6285	0.896	146	122.5538	1.167	168	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,3|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(H){1|C<4>,2|H<1>,8|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	122.7270	0.000	1	122.6912	1.218	73	122.6285	0.896	146	122.5538	1.167	168	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,3|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(H){2|H<1>,9|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	120.2065	1.322	2	122.6912	1.218	73	122.6285	0.896	146	122.5538	1.167	168	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,3|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(H){2|H<1>,9|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	120.3755	0.904	2	122.6912	1.218	73	122.6285	0.896	146	122.5538	1.167	168	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<4>,3|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(H){1|C<4>,2|H<1>,8|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	119.5905	0.347	2	122.6912	1.218	73	122.6285	0.896	146	122.5538	1.167	168	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N[5a])(H)	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(H){1|C<4>,2|H<1>,8|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N[5a])(H){2|C<4>,2|H<1>,4|C<3>}	122.7595	0.626	2	122.7595	0.392	2	122.6285	0.896	146	122.5538	1.167	168	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]N[6a]H)(H)	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<2>,3|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(H){1|C<4>,2|H<1>,8|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]N[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	123.2990	0.567	2	123.2990	0.322	2	122.6285	0.896	146	122.5538	1.167	168	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]C[6]C)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<2>,1|C<4>,2|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]C[6]C)(H){1|C<4>,1|O<2>,2|H<1>,7|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	122.2265	0.616	2	122.2265	0.379	2	122.6285	0.896	146	122.5538	1.167	168	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]C[6]H)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<4>,3|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]C[6]H)(H){1|C<4>,3|H<1>,7|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	121.5275	0.042	2	121.5275	0.002	2	122.6285	0.896	146	122.5538	1.167	168	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6]2H)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){3|C<3>,3|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6]2H)(H){1|Cl<1>,3|C<4>,4|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	123.1380	0.263	2	123.1380	0.069	2	122.6285	0.896	146	122.5538	1.167	168	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|B<3>,3|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(H){1|N<3>,2|H<1>,8|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	122.6028	0.253	4	122.8372	0.172	6	122.6285	0.896	146	122.5538	1.167	168	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){4|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(H){1|N<3>,2|H<1>,8|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	123.3060	0.099	2	122.8372	0.172	6	122.6285	0.896	146	122.5538	1.167	168	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6]2H)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6]2H)(H){1|H<1>,1|O<2>,2|C<3>,3|O<1>,4|N<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	122.3550	0.000	1	122.3550	0.000	1	122.6285	0.896	146	122.5538	1.167	168	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]S[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6]2H)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]S[6])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6]2H)(H){1|O<1>,1|S<2>,2|C<4>,4|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|S<2>,2|C<3>,2|H<1>}	121.0300	0.303	2	121.0300	0.092	2	122.6285	0.896	146	122.5538	1.167	168	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:N[6a]-3:O-1:	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]N[6a]O[6])(C[6a]N[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6]2H)(H)	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]C)(O)	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]N[6a]O[6])(C[6a]N[6a]O){1|H<1>,2|C<4>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6]2H)(H){1|H<1>,1|O<2>,2|C<3>,3|O<1>,4|N<3>}	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]C)(O){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>}	119.6610	0.000	1	119.6610	0.000	1	119.6610	0.000	1	122.5538	1.167	168	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6]-4:H-1:	C[6a,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(H)	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H){1|C<4>,3|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(H){1|C<4>,2|H<1>,8|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(H){2|C<4>,2|H<1>,4|C<3>}	122.9303	0.440	4	122.9303	0.193	4	122.9303	0.193	4	122.5538	1.167	168	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:Ge[6]-4:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6]C[6,6a]Ge[6]H)(C[6,6a]C[6a]Ge[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(Ge[6]C[6,6a]2C[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6]C[6,6a]Ge[6]H)(C[6,6a]C[6a]Ge[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,7|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(Ge[6]C[6,6a]2C[6a])(H){10|C<3>,1|Ge<4>,2|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){2|Ge<4>,2|C<3>,2|H<1>}	118.4570	0.503	2	118.4570	0.253	2	118.4570	0.253	2	122.5538	1.167	168	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:2:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:C-2:	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]C)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CC)	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]C){1|C<4>,4|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(H){1|C<4>,2|C<2>,8|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CC){2|C<3>,2|C<4>,2|H<1>}	122.9898	0.623	24	122.9898	0.388	24	122.9898	0.388	24	122.9686	0.650	30	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:2:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6a]-2:	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]N[6a])	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N[6a])(N[6a]C[6a])	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]N[6a]){1|C<4>,1|N<2>,3|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(H){1|C<4>,2|N<2>,8|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N[6a])(N[6a]C[6a]){2|C<4>,3|H<1>,4|C<3>}	124.6760	0.378	2	124.6760	0.143	2	124.6760	0.143	2	122.9686	0.650	30	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:2:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|O<1>,3|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(H){2|O<2>,9|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<4>,2|H<1>,3|C<3>}	121.8875	0.083	2	121.8875	0.007	2	121.9875	0.037	4	122.9686	0.650	30	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:2:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]N[6a]C[6])(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2C)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]N[6a]C[6])(C[6a]C[6a]O){1|H<1>,3|C<4>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2C)(H){1|C<4>,2|O<2>,4|C<3>,4|N<2>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	122.0875	0.252	2	122.0875	0.064	2	121.9875	0.037	4	122.9686	0.650	30	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N-3:	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]N)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NCH)	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]N){1|O<1>,3|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(H){2|N<3>,9|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NCH){1|C<4>,2|H<1>,3|C<3>}	123.2650	0.486	2	123.2650	0.237	2	123.2650	0.237	2	123.2650	0.237	2	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:4:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]N[6a]C[6])(C[6a]C[6,6a]C)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(H)	C[6a](C[6,6a]C[6,6a]C[6])2(CCHH)	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]N[6a]C[6])(C[6a]C[6,6a]C){2|C<4>,2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(H){3|C<4>,4|C<3>,4|N<2>}	C[6a](C[6,6a]C[6,6a]C[6])2(CCHH){1|N<2>,2|C<3>,3|C<4>,3|H<1>}	124.6255	0.039	2	124.6255	0.002	2	124.6255	0.002	2	124.6255	0.002	2	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	4:3:3:	3:3:4:2:	3:3:1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6]-4:C-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6]C[6,6a]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(CC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6]C[6,6a]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,4|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(CC){1|C<4>,2|H<1>,8|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,2|C<3>,2|C<4>}	123.2315	0.043	2	122.9725	0.042	6	122.8405	0.813	10	122.1254	1.644	16	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	4:3:3:	3:3:4:2:	3:3:1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6]-4:C-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6]C[6,6a]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(CC)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6]C[6,6a]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,3|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(CC){1|C<4>,2|H<1>,8|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,2|C<3>,2|C<4>}	122.8430	0.043	4	122.9725	0.042	6	122.8405	0.813	10	122.1254	1.644	16	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	4:3:3:	3:3:4:2:	3:3:1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6]-4:C-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6]C[6,6a]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]C[6]H)(CN)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6]C[6,6a]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,4|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]C[6]H)(CN){1|C<4>,3|H<1>,7|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,2|C<3>,2|C<4>}	123.9465	0.141	2	123.9465	0.020	2	122.8405	0.813	10	122.1254	1.644	16	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	4:3:3:	3:3:4:2:	3:3:1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6]-4:C-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6]C[6,6a]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6]2H)(CN)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6]C[6,6a]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<2>,1|C<4>,3|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6]2H)(CN){1|Br<1>,2|C<4>,4|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,2|C<3>,2|C<4>}	121.3385	0.163	2	121.3385	0.027	2	122.8405	0.813	10	122.1254	1.644	16	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	4:3:3:	3:3:4:2:	3:3:1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6]-4:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6]C[6,6a]C[6]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2O)(OH)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6]C[6,6a]C[6]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,4|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2O)(OH){1|C<4>,2|H<1>,8|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	120.4135	0.267	4	120.4135	0.071	4	120.9335	0.740	6	122.1254	1.644	16	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	4:3:3:	3:3:4:2:	3:3:1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6]-4:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6]C[6,6a]C[6]O)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6]N[6]H)(OSi)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6]C[6,6a]C[6]O)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6]N[6]H)(OSi){1|C<4>,1|O<2>,4|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	121.9735	0.490	2	121.9735	0.240	2	120.9335	0.740	6	122.1254	1.644	16	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	4:3:3:	3:3:4:3:	3:3:1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6]-4:C-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6]C[6,6a]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(CCO)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6]C[6,6a]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,4|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(CCO){1|C<4>,2|H<1>,8|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	123.8065	0.183	2	123.8065	0.034	2	123.8724	0.182	28	123.8724	0.182	28	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	4:3:3:	3:3:4:3:	3:3:1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6]-4:C-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6]C[6,6a]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(CHO)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6]C[6,6a]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,4|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(CHO){1|C<4>,2|H<1>,8|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	123.4888	0.180	11	123.4888	0.033	11	123.8724	0.182	28	123.8724	0.182	28	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	4:3:3:	3:3:4:3:	3:3:1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6]-4:C-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6]C[6,6a]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(COO)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6]C[6,6a]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,4|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(COO){1|C<4>,2|H<1>,8|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	124.1624	0.344	15	124.1624	0.118	15	123.8724	0.182	28	123.8724	0.182	28	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	4:3:3:	3:3:4:4:	3:3:1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6]-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6]C[6,6a]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(CH3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6]C[6,6a]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,4|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(CH3){1|C<4>,2|H<1>,8|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,3|C<4>}	124.3285	0.366	2	124.3285	0.134	2	124.5312	0.192	6	124.5312	0.192	6	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	4:3:3:	3:3:4:4:	3:3:1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6]-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6]C[6,6a]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(CN[5]HH)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6]C[6,6a]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,4|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(CN[5]HH){1|C<4>,2|H<1>,8|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,3|C<4>}	124.6025	0.579	2	124.6025	0.335	2	124.5312	0.192	6	124.5312	0.192	6	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	4:3:3:	3:3:4:4:	3:3:1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6]-4:C-4:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6]C[6,6a]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]C[6]H)(CHHN)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6]C[6,6a]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,4|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]C[6]H)(CHHN){1|C<4>,3|H<1>,7|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,3|C<4>}	124.6625	0.605	2	124.6625	0.366	2	124.5312	0.192	6	124.5312	0.192	6	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[5,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H)	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H){1|C<4>,1|F<1>,1|O<2>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,2|C<4>,4|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	117.1720	0.000	1	117.0345	0.579	13	117.8869	4.002	18	119.8695	6.987	57	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[5,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H)	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H){1|C<4>,1|N<2>,1|O<2>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,2|C<4>,4|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	117.1640	0.000	1	117.0345	0.579	13	117.8869	4.002	18	119.8695	6.987	57	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[5,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H)	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H){1|C<4>,1|N<3>,1|O<2>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,2|C<4>,4|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	116.5787	0.404	7	117.0345	0.579	13	117.8869	4.002	18	119.8695	6.987	57	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[5,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H)	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,1|O<2>,4|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	118.1620	0.000	1	117.0345	0.579	13	117.8869	4.002	18	119.8695	6.987	57	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[5,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H)	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,2|O<2>,3|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	118.6270	0.000	1	117.0345	0.579	13	117.8869	4.002	18	119.8695	6.987	57	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[5,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H)	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H){1|C<4>,2|O<2>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,2|C<4>,4|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	116.5640	0.000	1	117.0345	0.579	13	117.8869	4.002	18	119.8695	6.987	57	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[5,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H)	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H){1|O<2>,2|C<4>,4|C<3>,6|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	117.7080	0.000	1	117.0345	0.579	13	117.8869	4.002	18	119.8695	6.987	57	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[5,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]O)(C[6a]C[6a]2)(H)	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H)	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H){1|C<4>,2|O<2>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]O)(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,2|C<4>,4|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	116.4760	0.000	1	116.4760	0.000	1	117.8869	4.002	18	119.8695	6.987	57	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[5,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H)(C[6a]C[6a]2)(H)	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H)	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H){1|C<4>,2|O<2>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H)(C[6a]C[6a]2)(H){2|C<4>,4|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	118.2030	0.000	1	118.2030	0.000	1	117.8869	4.002	18	119.8695	6.987	57	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[5,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]O[6])(C[6a]C[5,6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H)	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]O[6])(C[6a]C[5,6a]H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H){1|O<2>,4|H<1>,7|C<3>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H){1|H<1>,2|C<3>,2|C<4>,2|O<2>}	121.9457	0.246	3	121.9457	0.061	3	117.8869	4.002	18	119.8695	6.987	57	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[6,6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6,6a]O[6])(H)	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[6,6a]H){1|C<4>,2|O<2>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,2|C<4>,4|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6,6a]O[6])(H){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	117.7670	0.000	1	117.7670	0.000	1	117.7670	0.000	1	119.8695	6.987	57	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<2>,1|C<4>,4|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|C<4>,4|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){2|C<3>,2|C<4>,2|H<1>}	118.4590	0.000	1	118.4590	0.000	1	121.1382	5.684	21	119.8695	6.987	57	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H){3|C<4>,4|C<3>,6|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	123.9355	0.037	2	122.1280	6.066	6	121.1382	5.684	21	119.8695	6.987	57	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<4>,3|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,5|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	120.3510	0.000	1	122.1280	6.066	6	121.1382	5.684	21	119.8695	6.987	57	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<4>,4|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|C<4>,4|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	124.7980	0.000	1	122.1280	6.066	6	121.1382	5.684	21	119.8695	6.987	57	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<4>,4|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|C<4>,4|C<3>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	121.1680	0.000	1	122.1280	6.066	6	121.1382	5.684	21	119.8695	6.987	57	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){3|C<3>,3|H<1>,4|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H){3|C<4>,4|C<3>,6|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	118.5800	0.000	1	122.1280	6.066	6	121.1382	5.684	21	119.8695	6.987	57	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<4>,2|O<2>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H){2|C<4>,2|O<2>,4|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	118.6780	0.000	1	118.6780	0.000	1	121.1382	5.684	21	119.8695	6.987	57	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H)	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|Br<1>,2|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H){1|C<4>,2|N<3>,4|C<3>,6|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	119.4090	0.648	2	120.2943	1.505	4	121.1382	5.684	21	119.8695	6.987	57	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H)	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|Br<1>,2|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H){1|N<3>,2|C<4>,4|C<3>,6|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	121.1795	0.981	2	120.2943	1.505	4	121.1382	5.684	21	119.8695	6.987	57	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){3|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H){1|C<4>,2|N<3>,4|C<3>,6|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	119.8760	0.000	1	119.8760	0.000	1	121.1382	5.684	21	119.8695	6.987	57	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H)	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|Cl<1>,2|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H){1|C<4>,2|N<3>,4|C<3>,6|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	119.5375	0.636	2	119.5375	0.404	2	121.1382	5.684	21	119.8695	6.987	57	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H){1|C<4>,2|N<3>,4|C<3>,6|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	120.4290	0.194	2	120.4290	0.038	2	121.1382	5.684	21	119.8695	6.987	57	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H)	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H){1|C<4>,2|N<3>,4|C<3>,6|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	119.0980	0.000	1	119.0980	0.000	1	121.1382	5.684	21	119.8695	6.987	57	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(C[6a]C[6a]2)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|O<2>,3|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	122.4440	0.000	1	122.4440	0.000	1	121.1382	5.684	21	119.8695	6.987	57	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5]C)(C[6a]C[6a]2)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5]C)(C[6a]C[6a]2)(H){1|C<4>,2|O<2>,3|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	126.2790	0.000	1	126.2790	0.000	1	121.1382	5.684	21	119.8695	6.987	57	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]C)(C[6a]C[6a]2)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]C)(C[6a]C[6a]2)(H){1|O<2>,4|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	125.1900	0.000	1	125.1900	0.000	1	121.1382	5.684	21	119.8695	6.987	57	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[6,6a]-3:N[6a]-3:O-1:	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]N[6a]N[6])(C[6a]N[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]H)(O)	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]N[6a]N[6])(C[6a]N[6a]O){1|C<4>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H){1|N<2>,1|O<2>,2|H<1>,2|N<3>,2|O<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<2>}	120.9960	0.000	1	120.9960	0.000	1	120.9960	0.000	1	119.8695	6.987	57	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:N[5a]-3:H-1:	C[5,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6]C[5,6]N[5a]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(N[5a]C[5a]N[5a])(H)	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H)	C[6,6a](C[6]C[5,6]N[5a]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H){1|N<2>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(N[5a]C[5a]N[5a])(H){1|C<4>,1|N<2>,1|O<2>,4|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,3|C<4>}	116.1590	0.426	3	116.1590	0.181	3	116.1590	0.181	3	119.8695	6.987	57	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6a]-3:H-1:	C[5,6a]-3:C[6,6a]-3:H-1:	C[6,6a](C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]O[6])(C[6a]C[5,6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(H)	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H)	C[6,6a](C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]O[6])(C[6a]C[5,6a]H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(H){3|O<2>,5|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H){1|H<1>,2|C<3>,2|C<4>,2|O<2>}	119.7175	0.800	2	119.7175	0.640	2	119.7175	0.640	2	119.8695	6.987	57	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,3|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(H){1|C<4>,5|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	121.6570	0.000	1	121.6570	0.000	1	121.8200	1.510	11	119.8695	6.987	57	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6]C)(C[6a]C[6a]2)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6]C)(C[6a]C[6a]2)(H){1|C<4>,4|H<1>,7|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	120.3560	0.000	2	120.3560	0.000	2	121.8200	1.510	11	119.8695	6.987	57	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6]H)(C[6a]C[6a]2)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6]H)(C[6a]C[6a]2)(H){2|C<4>,5|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	120.6060	0.000	1	120.6060	0.000	1	121.8200	1.510	11	119.8695	6.987	57	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(H){1|O<1>,2|C<4>,2|O<2>,3|H<1>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.5190	0.000	1	121.7830	1.217	3	121.8200	1.510	11	119.8695	6.987	57	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<2>,5|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	122.4150	0.195	2	121.7830	1.217	3	121.8200	1.510	11	119.8695	6.987	57	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)(C[6a]C[6a]2)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)(C[6a]C[6a]2)(H){1|C<4>,1|O<2>,2|O<1>,5|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	122.2715	0.545	2	122.9240	0.667	4	121.8200	1.510	11	119.8695	6.987	57	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)(C[6a]C[6a]2)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)(C[6a]C[6a]2)(H){1|O<2>,2|C<4>,2|O<1>,4|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	123.5765	0.036	2	122.9240	0.667	4	121.8200	1.510	11	119.8695	6.987	57	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:2:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[5,6a]-3:C[6,6a]-3:O-2:	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(OC)	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]O){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H){2|C<4>,2|O<2>,4|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(OC){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	117.8090	0.000	1	117.8090	0.000	1	117.8090	0.000	1	120.7923	7.480	3	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:2:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]O){1|C<4>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H){1|C<4>,1|H<1>,1|O<1>,3|O<2>,6|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	123.1810	0.000	1	123.1810	0.000	1	123.1810	0.000	1	120.7923	7.480	3	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:2:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a](C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OH)	C[6,6a](C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]O){1|H<1>,2|C<4>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(H){2|C<4>,2|O<2>,4|H<1>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(OH){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	121.3870	0.000	1	121.3870	0.000	1	121.3870	0.000	1	120.7923	7.480	3	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	4:3:3:	3:4:3:2:	3:3:1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[3]-4:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6]C[6a]C[3]O[6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[3]C[3]2Br)(C[6a]C[6a]2)(O[6]C[6])	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6]C[6a]C[3]O[6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|Br<1>,2|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[3]C[3]2Br)(C[6a]C[6a]2)(O[6]C[6]){1|C<4>,1|N<2>,4|C<3>,7|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,1|O<2>,2|C<3>}	122.5070	0.000	1	122.5070	0.000	1	122.5070	0.000	1	122.5070	0.000	1	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	4:3:3:	3:4:3:3:	3:3:1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6]C[5,6]C[6a]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6]C[5,6]C[6a]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){3|H<1>,8|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)2{1|N<3>,1|O<1>,5|H<1>,8|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,4|C<3>}	121.8700	0.000	1	121.8700	0.000	1	121.8700	0.000	1	121.8700	0.000	1	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	4:3:3:	4:3:1:1:	3:3:1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[3,4,4x6]-4:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6]C[3,4,4x6]HH)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[3,4,4x6]B[4x3,4,5,5,8x6]B[3x3,5,6x6]C[3,4,4x6])(C[6,6a]C[6,6a]C[6a])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6]C[3,4,4x6]HH)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|B<5>,1|B<6>,1|C<3>,1|C<4>,4|H<1>}	C[6](C[3,4,4x6]B[4x3,4,5,5,8x6]B[3x3,5,6x6]C[3,4,4x6])(C[6,6a]C[6,6a]C[6a])(H)2{1|C<4>,2|B<5>,2|C<3>,3|B<6>,3|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	123.3255	0.339	4	123.3255	0.115	4	123.3255	0.115	4	120.9935	6.392	8	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	4:3:3:	4:3:1:1:	3:3:1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[3,5,5,6,6]-4:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6]C[3,5,5,6,6]HH)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[3,5,5,6,6]C[3,5,5,6]C[3x5,6,6]C[3,5,5])(C[6,6a]C[6,6a]C[6a])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6]C[3,5,5,6,6]HH)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	C[6](C[3,5,5,6,6]C[3,5,5,6]C[3x5,6,6]C[3,5,5])(C[6,6a]C[6,6a]C[6a])(H)2{1|Sn<4>,1|O<2>,2|H<1>,3|C<3>,3|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	118.8945	0.170	2	118.8945	0.029	2	118.8945	0.029	2	120.9935	6.392	8	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	4:3:3:	4:3:1:1:	3:3:1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[3x5,6,6]-4:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6]C[3x5,6,6]HH)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[3x5,6,6]C[3,5,5,6,6]C[4x5]C[5,6])(C[6,6a]C[6,6a]C[6a])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6]C[3x5,6,6]HH)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	C[6](C[3x5,6,6]C[3,5,5,6,6]C[4x5]C[5,6])(C[6,6a]C[6,6a]C[6a])(H)2{2|H<1>,2|O<2>,3|C<3>,4|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	118.9990	0.000	1	118.9990	0.000	1	118.4285	0.651	2	120.9935	6.392	8	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	4:3:3:	4:3:1:1:	3:3:1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[3x5,6,6]-4:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6]C[3x5,6,6]HH)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[3x5,6,6]C[3,5,5,6,6]C[5,6,6a]C[4x5])(C[6,6a]C[6,6a]C[6a])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6]C[3x5,6,6]HH)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	C[6](C[3x5,6,6]C[3,5,5,6,6]C[5,6,6a]C[4x5])(C[6,6a]C[6,6a]C[6a])(H)2{1|H<1>,2|O<2>,4|C<3>,4|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	117.8580	0.000	1	117.8580	0.000	1	118.4285	0.651	2	120.9935	6.392	8	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[5,5,6,6]-4:C[6,6a]-3:O-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6]C[5,5,6,6]HO)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]C[5])(C[6,6a]C[6,6a]C[6a])(OC[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6]C[5,5,6,6]HO)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	C[6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]C[5])(C[6,6a]C[6,6a]C[6a])(OC[6a])(H){1|O<1>,1|O<2>,2|H<1>,3|C<4>,4|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	122.7240	0.000	1	122.7240	0.000	1	122.7240	0.000	1	122.7240	0.000	1	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[5,5,6,6]-4:C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6]C[5,5,6,6]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]C[5])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6]C[5,5,6,6]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,2|C<4>,3|H<1>,4|C<3>}	C[6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]C[5])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H){1|O<1>,2|O<2>,3|C<4>,3|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	124.6440	0.000	1	124.6440	0.000	1	124.6440	0.000	1	122.2095	11.854	2	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,1|O<2>,4|C<3>,4|H<1>}	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H){2|C<4>,3|H<1>,6|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	119.7750	0.000	1	119.7750	0.000	1	119.7750	0.000	1	122.2095	11.854	2	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	4:3:3:	5:3:1:1:	3:3:1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[3x3,3x5,13x6]-5:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6]C[3x3,3x5,13x6]HH)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[3x3,3x5,13x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,13x6])(C[6,6a]C[6,6a]C[6a])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6]C[3x3,3x5,13x6]HH)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|B<5>,1|C<3>,1|C<5>,2|B<6>,4|H<1>}	C[6](C[3x3,3x5,13x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,13x6])(C[6,6a]C[6,6a]C[6a])(H)2{1|B<5>,1|C<4>,2|C<3>,4|B<6>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|C<5>,3|H<1>}	121.9527	0.267	3	121.9527	0.071	3	121.9775	0.050	4	121.9775	0.050	4	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	4:3:3:	5:3:1:1:	3:3:1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[3x3,3x5,13x6]-5:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6]C[3x3,3x5,13x6]HH)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[3x3,3x5,13x6]B[3x3,4x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,13x6])(C[6,6a]C[6,6a]C[6a])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6]C[3x3,3x5,13x6]HH)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|B<5>,1|C<3>,1|C<5>,2|B<6>,4|H<1>}	C[6](C[3x3,3x5,13x6]B[3x3,4x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,13x6])(C[6,6a]C[6,6a]C[6a])(H)2{1|B<5>,1|C<4>,1|O<2>,2|C<3>,3|H<1>,4|B<6>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|C<5>,3|H<1>}	122.0520	0.000	1	122.0520	0.000	1	121.9775	0.050	4	121.9775	0.050	4	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	4:3:3:	5:3:3:1:	3:3:1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[3,3,5,4x6]-5:C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6]C[3,3,5,4x6]C[6,6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[3,3,5,4x6]B[3x3,5,5,7x6]B[5x3,5,5,4x6]C[3x3,5,5,7x6]Fe)(C[6,6a]C[6,6a]C[6a])2(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6]C[3,3,5,4x6]C[6,6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|Fe<11>,1|C<6>,2|B<6>,3|C<3>,4|H<1>}	C[6](C[3,3,5,4x6]B[3x3,5,5,7x6]B[5x3,5,5,4x6]C[3x3,5,5,7x6]Fe)(C[6,6a]C[6,6a]C[6a])2(H){1|C<4>,4|B<6>,4|C<3>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|C<5>,2|C<3>,2|H<1>}	119.4693	0.557	4	119.4693	0.310	4	119.4693	0.310	4	119.4693	0.310	4	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	4:3:3:	6:3:1:1:	3:3:1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[3x3,3x5,13x6]-6:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6]C[3x3,3x5,13x6]HH)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[3x3,3x5,13x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,13x6]Rh)(C[6,6a]C[6,6a]C[6a])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6]C[3x3,3x5,13x6]HH)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|Rh<10>,1|C<3>,1|C<6>,3|B<6>,4|H<1>}	C[6](C[3x3,3x5,13x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,13x6]Rh)(C[6,6a]C[6,6a]C[6a])(H)2{1|C<4>,2|C<3>,4|H<1>,5|B<6>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|C<6>,3|H<1>}	117.0900	0.619	2	117.0900	0.384	2	117.0900	0.384	2	117.5207	0.264	6	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	4:3:3:	6:3:1:1:	3:3:1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[5x3,5x5,21x6]-6:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6]C[5x3,5x5,21x6]HH)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6,6a]C[6,6a]C[6a])(H)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6]C[5x3,5x5,21x6]HH)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|C<6>,4|B<6>,4|H<1>}	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6,6a]C[6,6a]C[6a])(H)2{1|C<4>,2|C<3>,5|B<6>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|C<6>,3|H<1>}	117.7360	0.357	4	117.7360	0.127	4	117.7360	0.127	4	117.5207	0.264	6	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6,6a]	C[6]	C[6a]	4:3:3:	6:3:3:1:	3:3:1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[5x3,5x5,20x6]-6:C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[6]C[5x3,5x5,20x6]C[6,6a]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6](C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6,6a]C[6,6a]C[6a])2(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H)	C[6,6a](C[6]C[5x3,5x5,20x6]C[6,6a]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<6>,3|C<3>,3|H<1>,4|B<6>}	C[6](C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6,6a]C[6,6a]C[6a])2(H){1|N<3>,4|C<3>,5|B<6>,7|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(H){1|C<6>,1|N<3>,2|C<3>,2|H<1>}	121.5565	0.078	2	121.5565	0.006	2	121.5565	0.006	2	121.5565	0.006	2	120.9572	4.816	7442	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[3x6]	C[6a,6a]	3:4:3:	3:4:4:4:	3:3:3:	C[6a,6a]-3:C[3x6]-4:C[6a]-3:	C[6a]-3:C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[3x6]C[6,6]3)(C[6a]C[6a]H)	C[3x6](C[6a]C[6a,6a]C[6a])(C[6,6]C[3x6]HH)3	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[3x6]C[6,6]3)(C[6a]C[6a]H){1|N<2>,3|C<3>,3|C<4>,7|H<1>}	C[3x6](C[6a]C[6a,6a]C[6a])(C[6,6]C[3x6]HH)3{3|C<3>,3|C<4>,4|H<1>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[3x6]C[6a])(C[6a]C[6a]H){2|C<3>,3|C<4>,3|H<1>}	123.7920	0.000	1	123.7920	0.000	1	123.7920	0.000	1	124.8322	0.417	6	124.8322	0.417	6	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[3x6]	C[6a,6a]	3:4:3:	3:4:4:4:	3:3:3:	C[6a,6a]-3:C[3x6]-4:C[6a]-3:	C[6a]-3:C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6a]-3:C[6a]-3:C[6a,6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[3x6]C[6,6]3)(C[6a]C[6a]H)	C[3x6](C[6a]C[6a,6a]C[6a])(C[6,6]C[3x6]HH)3	C[6a,6a](C[6a]C[3x6]C[6a])2(C[6a,6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[3x6]C[6,6]3)(C[6a]C[6a]H){1|Br<1>,3|C<3>,4|C<4>,6|H<1>}	C[3x6](C[6a]C[6a,6a]C[6a])(C[6,6]C[3x6]HH)3{3|C<3>,3|C<4>,4|H<1>}	C[6a,6a](C[6a]C[3x6]C[6a])2(C[6a,6a]C[6a]2){2|C<3>,2|H<1>,2|O<2>,6|C<4>}	124.6180	0.000	1	125.0402	0.197	5	125.0402	0.197	5	124.8322	0.417	6	124.8322	0.417	6	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[3x6]	C[6a,6a]	3:4:3:	3:4:4:4:	3:3:3:	C[6a,6a]-3:C[3x6]-4:C[6a]-3:	C[6a]-3:C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6a]-3:C[6a]-3:C[6a,6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[3x6]C[6,6]3)(C[6a]C[6a]H)	C[3x6](C[6a]C[6a,6a]C[6a])(C[6,6]C[3x6]HH)3	C[6a,6a](C[6a]C[3x6]C[6a])2(C[6a,6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[3x6]C[6,6]3)(C[6a]C[6a]H){3|C<3>,4|C<4>,7|H<1>}	C[3x6](C[6a]C[6a,6a]C[6a])(C[6,6]C[3x6]HH)3{3|C<3>,3|C<4>,4|H<1>}	C[6a,6a](C[6a]C[3x6]C[6a])2(C[6a,6a]C[6a]2){2|C<3>,2|H<1>,2|O<2>,6|C<4>}	125.2725	0.573	2	125.0402	0.197	5	125.0402	0.197	5	124.8322	0.417	6	124.8322	0.417	6	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[3x6]	C[6a,6a]	3:4:3:	3:4:4:4:	3:3:3:	C[6a,6a]-3:C[3x6]-4:C[6a]-3:	C[6a]-3:C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6a]-3:C[6a]-3:C[6a,6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[3x6]C[6,6]3)(C[6a]C[6a]H)	C[3x6](C[6a]C[6a,6a]C[6a])(C[6,6]C[3x6]HH)3	C[6a,6a](C[6a]C[3x6]C[6a])2(C[6a,6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[3x6]C[6,6]3)(C[6a]C[6a]H){3|C<3>,4|C<4>,7|H<1>}	C[3x6](C[6a]C[6a,6a]C[6a])(C[6,6]C[3x6]HH)3{3|C<3>,3|C<4>,4|H<1>}	C[6a,6a](C[6a]C[3x6]C[6a])2(C[6a,6a]C[6a]2){2|C<3>,4|H<1>,6|C<4>}	125.0190	0.414	2	125.0402	0.197	5	125.0402	0.197	5	124.8322	0.417	6	124.8322	0.417	6	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[3x6]	C[6a]	3:3:4:	4:4:4:3:	3:3:1:	C[6a]-3:C[6a]-3:C[3x6]-4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C[6a]-3:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)2(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)3(C[6a]C[6a]2)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[3x6]C[6a])(H)	C[6a](C[6a]C[6a,6a]H)2(C[3x6]C[6,6]3){3|C<3>,3|C<4>,6|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(C[6a]C[6a]2){3|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[3x6]C[6a])(H){2|H<1>,3|C<3>,3|C<4>}	121.0265	1.010	6	121.0265	1.020	6	121.0265	1.020	6	121.0265	1.020	6	121.0065	2.560	324	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[3x6]	C[6a]	3:4:2:	3:4:4:4:	3:3:1:	C[6a]-3:C[3x6]-4:N[6a]-2:	C[6a]-3:C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[3x6]C[6,6]3)(N[6a]C[6a])	C[3x6](C[6a]C[6a]N[6a])(C[6,6]C[3x6]HH)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[3x6]N[6a])(H)	C[6a](C[6a]C[6a,6a]H)(C[3x6]C[6,6]3)(N[6a]C[6a]){2|C<3>,3|C<4>,7|H<1>}	C[3x6](C[6a]C[6a]N[6a])(C[6,6]C[3x6]HH)3{2|C<3>,3|C<4>,4|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[3x6]N[6a])(H){1|H<1>,3|C<3>,3|C<4>}	124.0760	0.000	1	124.0760	0.000	1	124.0760	0.000	1	124.0760	0.000	1	121.0065	2.560	324	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[3x6]	C[6a]	3:4:3:	3:4:4:4:	3:3:1:	C[6a,6a]-3:C[3x6]-4:C[6a]-3:	C[6a]-3:C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[3x6]C[6,6]3)(C[6a]C[6a]H)	C[3x6](C[6a]C[6a,6a]C[6a])(C[6,6]C[3x6]HH)3	C[6a](C[6a]C[6a,6a]C[3x6])(C[6a]C[6a]Br)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[3x6]C[6,6]3)(C[6a]C[6a]H){1|Br<1>,3|C<3>,4|C<4>,6|H<1>}	C[3x6](C[6a]C[6a,6a]C[6a])(C[6,6]C[3x6]HH)3{3|C<3>,3|C<4>,4|H<1>}	C[6a](C[6a]C[6a,6a]C[3x6])(C[6a]C[6a]Br)(H){1|O<2>,2|C<3>,3|C<4>}	114.6350	0.000	1	114.6350	0.000	1	116.2020	4.129	6	116.2020	4.129	6	121.0065	2.560	324	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[3x6]	C[6a]	3:4:3:	3:4:4:4:	3:3:1:	C[6a,6a]-3:C[3x6]-4:C[6a]-3:	C[6a]-3:C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[3x6]C[6,6]3)(C[6a]C[6a]H)	C[3x6](C[6a]C[6a,6a]C[6a])(C[6,6]C[3x6]HH)3	C[6a](C[6a]C[6a,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[3x6]C[6,6]3)(C[6a]C[6a]H){3|C<3>,4|C<4>,7|H<1>}	C[3x6](C[6a]C[6a,6a]C[6a])(C[6,6]C[3x6]HH)3{3|C<3>,3|C<4>,4|H<1>}	C[6a](C[6a]C[6a,6a]C[3x6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,3|C<4>}	115.5315	0.097	2	115.5802	0.070	4	116.2020	4.129	6	116.2020	4.129	6	121.0065	2.560	324	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[3x6]	C[6a]	3:4:3:	3:4:4:4:	3:3:1:	C[6a,6a]-3:C[3x6]-4:C[6a]-3:	C[6a]-3:C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[3x6]C[6,6]3)(C[6a]C[6a]H)	C[3x6](C[6a]C[6a,6a]C[6a])(C[6,6]C[3x6]HH)3	C[6a](C[6a]C[6a,6a]C[3x6])(C[6a]C[6a]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[3x6]C[6,6]3)(C[6a]C[6a]H){3|C<3>,4|C<4>,7|H<1>}	C[3x6](C[6a]C[6a,6a]C[6a])(C[6,6]C[3x6]HH)3{3|C<3>,3|C<4>,4|H<1>}	C[6a](C[6a]C[6a,6a]C[3x6])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,3|C<4>}	115.6290	0.437	2	115.5802	0.070	4	116.2020	4.129	6	116.2020	4.129	6	121.0065	2.560	324	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[3x6]	C[6a]	3:4:3:	3:4:4:4:	3:3:1:	C[6a,6a]-3:C[3x6]-4:C[6a]-3:	C[6a]-3:C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[3x6]C[6,6]3)(C[6a]C[6a]H)	C[3x6](C[6a]C[6a,6a]C[6a])(C[6,6]C[3x6]HH)3	C[6a](C[6a]C[6a,6a]C[3x6])(C[6a]C[6a]N[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[3x6]C[6,6]3)(C[6a]C[6a]H){1|N<2>,3|C<3>,3|C<4>,7|H<1>}	C[3x6](C[6a]C[6a,6a]C[6a])(C[6,6]C[3x6]HH)3{3|C<3>,3|C<4>,4|H<1>}	C[6a](C[6a]C[6a,6a]C[3x6])(C[6a]C[6a]N[6a])(H){3|C<4>,4|C<3>}	120.2560	0.000	1	120.2560	0.000	1	116.2020	4.129	6	116.2020	4.129	6	121.0065	2.560	324	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[3x6]	C[6a]	4:2:3:	3:4:4:4:	3:3:1:	C[3x6]-4:N[6a]-2:C[6a]-3:	C[6a]-3:C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3x6]C[6,6]3)(N[6a]C[6a,6a])(C[6a]C[6a]H)	C[3x6](C[6a]C[6a]N[6a])(C[6,6]C[3x6]HH)3	C[6a](C[6a]C[3x6]N[6a])(C[6a]C[6a,6a]H)(H)	C[6a](C[3x6]C[6,6]3)(N[6a]C[6a,6a])(C[6a]C[6a]H){2|C<3>,3|C<4>,7|H<1>}	C[3x6](C[6a]C[6a]N[6a])(C[6,6]C[3x6]HH)3{2|C<3>,3|C<4>,4|H<1>}	C[6a](C[6a]C[3x6]N[6a])(C[6a]C[6a,6a]H)(H){2|C<3>,3|C<4>}	119.8130	0.000	1	119.8130	0.000	1	119.8130	0.000	1	119.8130	0.000	1	121.0065	2.560	324	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[3x6]	C[6a]	4:3:2:	3:4:4:4:	3:3:1:	C[3x6]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3x6]C[6,6]3)(C[6a]C[6a]H)(N[6a]C[6a])	C[3x6](C[6a]C[6a]N[6a])(C[6,6]C[3x6]HH)3	C[6a](C[6a]C[3x6]N[6a])(C[6a]C[6a]C)(H)	C[6a](C[3x6]C[6,6]3)(C[6a]C[6a]H)(N[6a]C[6a]){2|C<3>,3|C<4>,7|H<1>}	C[3x6](C[6a]C[6a]N[6a])(C[6,6]C[3x6]HH)3{3|C<3>,3|C<4>,3|H<1>}	C[6a](C[6a]C[3x6]N[6a])(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,3|C<4>}	122.8250	0.000	1	122.8250	0.000	1	123.1312	0.147	4	123.1312	0.147	4	121.0065	2.560	324	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[3x6]	C[6a]	4:3:2:	3:4:4:4:	3:3:1:	C[3x6]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3x6]C[6,6]3)(C[6a]C[6a]H)(N[6a]C[6a])	C[3x6](C[6a]C[6a]N[6a])(C[6,6]C[3x6]HH)3	C[6a](C[6a]C[3x6]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[3x6]C[6,6]3)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,3|C<4>,8|H<1>}	C[3x6](C[6a]C[6a]N[6a])(C[6,6]C[3x6]HH)3{3|C<3>,3|C<4>,3|H<1>}	C[6a](C[6a]C[3x6]N[6a])(C[6a]C[6a]H)(H){2|C<3>,3|C<4>}	123.2333	0.397	3	123.2333	0.158	3	123.1312	0.147	4	123.1312	0.147	4	121.0065	2.560	324	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[3x6]	C[6a]	4:3:3:	2:2:2:3:	3:3:1:	C[3x6]-4:C[6a]-3:C[6a]-3:	O[6,6]-2:O[6,6]-2:O[6,6]-2:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3x6]O[6,6]3)(C[6a]C[6a]H)2	C[3x6](O[6,6]C[3x6])2(O[6,6]C[4x6])(C[6a]C[6a]2)	C[6a](C[6a]C[3x6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[3x6]O[6,6]3)(C[6a]C[6a]H)2{1|C<3>,2|H<1>,3|C<4>}	C[3x6](O[6,6]C[3x6])2(O[6,6]C[4x6])(C[6a]C[6a]2){2|C<3>,3|C<4>,5|H<1>}	C[6a](C[6a]C[3x6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|O<2>}	120.2196	1.807	10	120.2196	3.266	10	120.2537	3.186	18	120.2537	3.186	18	121.0065	2.560	324	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[3x6]	C[6a]	4:3:3:	2:2:2:3:	3:3:1:	C[3x6]-4:C[6a]-3:C[6a]-3:	O[6,6]-2:O[6,6]-2:O[6,6]-2:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3x6]O[6,6]3)(C[6a]C[6a]H)2	C[3x6](O[6,6]C[3x6])3(C[6a]C[6a]2)	C[6a](C[6a]C[3x6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[3x6]O[6,6]3)(C[6a]C[6a]H)2{1|C<3>,2|H<1>,3|C<4>}	C[3x6](O[6,6]C[3x6])3(C[6a]C[6a]2){2|C<3>,3|C<4>,5|H<1>}	C[6a](C[6a]C[3x6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|O<2>}	120.2963	1.880	8	120.2963	3.535	8	120.2537	3.186	18	120.2537	3.186	18	121.0065	2.560	324	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[3x6]	C[6a]	4:3:3:	3:3:2:3:	3:3:1:	C[3x6]-4:C[6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:O[6,6]-2:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3x6]C[6,6,6a]2O[6,6])(C[6a]C[6a]H)2	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(O[6,6]O[6,6])(C[6a]C[6a]2)	C[6a](C[6a]C[3x6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[3x6]C[6,6,6a]2O[6,6])(C[6a]C[6a]H)2{1|O<2>,2|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(O[6,6]O[6,6])(C[6a]C[6a]2){1|C<4>,3|H<1>,7|C<3>}	C[6a](C[6a]C[3x6]C[6a])(C[6a]C[6a]H)(H){1|O<2>,2|H<1>,3|C<3>}	120.7293	0.549	17	120.7293	0.301	17	120.8182	0.339	19	120.8182	0.339	19	121.0065	2.560	324	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[3x6]	C[6a]	4:3:3:	3:3:2:3:	3:3:1:	C[3x6]-4:C[6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:O[6,6]-2:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3x6]C[6,6,6a]2O[6,6])(C[6a]C[6a]H)2	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(O[6,6]O[6,6])(C[6a]C[6a]2)	C[6a](C[6a]C[3x6]C[6a])(C[6a]N[6a]H)(H)	C[6a](C[3x6]C[6,6,6a]2O[6,6])(C[6a]C[6a]H)2{1|N<2>,1|O<2>,2|H<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(O[6,6]O[6,6])(C[6a]C[6a]2){1|C<4>,3|H<1>,7|C<3>}	C[6a](C[6a]C[3x6]C[6a])(C[6a]N[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	121.5740	0.089	2	121.5740	0.008	2	120.8182	0.339	19	120.8182	0.339	19	121.0065	2.560	324	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[3x6]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[3x6]-4:C[6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3x6]C[6,6,6a]3)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(C[6a]C[6a]2)	C[6a](C[6a]C[3x6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[3x6]C[6,6,6a]3)(C[6a]C[6a]C)(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(C[6a]C[6a]2){1|C<4>,4|H<1>,9|C<3>}	C[6a](C[6a]C[3x6]C[6a])(C[6a]C[6a]H)(H){1|H<1>,5|C<3>}	120.2370	0.000	1	120.2370	0.000	1	121.0582	0.468	5	120.9729	4.646	25	121.0065	2.560	324	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[3x6]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[3x6]-4:C[6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3x6]C[6,6,6a]3)(C[6a]C[6a]H)2	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(C[6a]C[6a]2)	C[6a](C[6a]C[3x6]C[6a])(C[6a]C[6a]N[6a])(H)	C[6a](C[3x6]C[6,6,6a]3)(C[6a]C[6a]H)2{1|N<2>,8|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(C[6a]C[6a]2){1|C<4>,5|H<1>,8|C<3>}	C[6a](C[6a]C[3x6]C[6a])(C[6a]C[6a]N[6a])(H){1|H<1>,1|N<2>,5|C<3>}	121.2635	0.586	4	121.2635	0.343	4	121.0582	0.468	5	120.9729	4.646	25	121.0065	2.560	324	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[3x6]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[3x6]-4:C[6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3x6]C[6,6,6a]2C[6,6])(C[6a]C[6a]H)2	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[5,6,6]H)(C[6a]C[6a]2)	C[6a](C[6a]C[3x6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[3x6]C[6,6,6a]2C[6,6])(C[6a]C[6a]H)2{3|H<1>,6|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[5,6,6]H)(C[6a]C[6a]2){2|C<4>,4|H<1>,6|C<3>}	C[6a](C[6a]C[3x6]C[6a])(C[6a]C[6a]H)(H){2|H<1>,4|C<3>}	121.2740	2.270	2	121.2740	5.152	2	121.2740	5.152	2	120.9729	4.646	25	121.0065	2.560	324	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[3x6]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[3x6]-4:C[6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6]-3:C[6,6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3x6]C[6,6,6a]C[6,6]2)(C[6a]C[6a]H)2	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]H)2(C[6a]C[6a]2)	C[6a](C[6a]C[3x6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[3x6]C[6,6,6a]C[6,6]2)(C[6a]C[6a]H)2{4|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]H)2(C[6a]C[6a]2){1|P<3>,3|H<1>,6|C<3>}	C[6a](C[6a]C[3x6]C[6a])(C[6a]C[6a]H)(H){2|H<1>,4|C<3>}	121.3995	3.716	2	121.0060	8.313	10	121.0166	7.258	14	120.9729	4.646	25	121.0065	2.560	324	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[3x6]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[3x6]-4:C[6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6]-3:C[6,6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3x6]C[6,6,6a]C[6,6]2)(C[6a]C[6a]H)2	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]H)2(C[6a]C[6a]2)	C[6a](C[6a]C[3x6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[3x6]C[6,6,6a]C[6,6]2)(C[6a]C[6a]H)2{4|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]H)2(C[6a]C[6a]2){1|P<4>,3|H<1>,6|C<3>}	C[6a](C[6a]C[3x6]C[6a])(C[6a]C[6a]H)(H){2|H<1>,4|C<3>}	120.9076	2.943	8	121.0060	8.313	10	121.0166	7.258	14	120.9729	4.646	25	121.0065	2.560	324	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[3x6]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[3x6]-4:C[6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6]-3:C[6,6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3x6]C[6,6,6a]C[6,6]2)(C[6a]C[6a]H)2	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]N[6,6]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[3x6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[3x6]C[6,6,6a]C[6,6]2)(C[6a]C[6a]H)2{2|H<1>,2|N<3>,2|O<1>,3|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]N[6,6]O)2(C[6a]C[6a]2){3|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[3x6]C[6a])(C[6a]C[6a]H)(H){2|H<1>,4|C<3>}	121.0430	2.552	4	121.0430	6.513	4	121.0166	7.258	14	120.9729	4.646	25	121.0065	2.560	324	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[3x6]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[3x6]-4:C[6a]-3:C[6a]-3:	C[6,6,6a]-3:N[6,6]-3:N[6,6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3x6]C[6,6,6a]N[6,6]2)(C[6a]C[6a]H)2	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(N[6,6]C[6,6]C)2(C[6a]C[6a]2)	C[6a](C[6a]C[3x6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[3x6]C[6,6,6a]N[6,6]2)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(N[6,6]C[6,6]C)2(C[6a]C[6a]2){1|C<4>,1|N<2>,2|O<1>,3|C<3>,3|H<1>}	C[6a](C[6a]C[3x6]C[6a])(C[6a]C[6a]H)(H){2|C<3>,2|H<1>,2|N<3>}	120.3575	2.361	2	120.5627	3.065	4	120.5627	3.065	4	120.9729	4.646	25	121.0065	2.560	324	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[3x6]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[3x6]-4:C[6a]-3:C[6a]-3:	C[6,6,6a]-3:N[6,6]-3:N[6,6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3x6]C[6,6,6a]N[6,6]2)(C[6a]C[6a]H)2	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(N[6,6]C[6,6]C)2(C[6a]C[6a]2)	C[6a](C[6a]C[3x6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[3x6]C[6,6,6a]N[6,6]2)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(N[6,6]C[6,6]C)2(C[6a]C[6a]2){1|C<4>,2|O<1>,3|H<1>,4|C<3>}	C[6a](C[6a]C[3x6]C[6a])(C[6a]C[6a]H)(H){2|C<3>,2|H<1>,2|N<3>}	120.7680	1.858	2	120.5627	3.065	4	120.5627	3.065	4	120.9729	4.646	25	121.0065	2.560	324	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[3x6]	C[6a]	4:3:3:	3:3:3:3:	3:3:3:	C[3x6]-4:C[6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[3x6]C[6,6,6a]3)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(C[6a]C[6a]2)	C[6a](C[6a]C[3x6]C[6a])(C[6a]C[6a]H)(COO)	C[6a](C[3x6]C[6,6,6a]3)(C[6a]C[6a]C)(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(C[6a]C[6a]2){1|C<4>,4|H<1>,9|C<3>}	C[6a](C[6a]C[3x6]C[6a])(C[6a]C[6a]H)(COO){2|H<1>,4|C<3>}	123.7380	0.000	1	123.7380	0.000	1	123.7380	0.000	1	123.7380	0.000	1	121.0065	2.560	324	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[3x6]	C[6a]	4:3:3:	3:3:4:3:	3:3:1:	C[3x6]-4:C[6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3x6]C[6,6,6a]2C[3x6])(C[6a]C[6a]H)2	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[3x6]C[3x6]C[6]Cr)(C[6a]C[6a]2)	C[6a](C[6a]C[3x6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[3x6]C[6,6,6a]2C[3x6])(C[6a]C[6a]H)2{1|Cr<9>,2|C<4>,2|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[3x6]C[3x6]C[6]Cr)(C[6a]C[6a]2){3|C<4>,5|H<1>,6|C<3>}	C[6a](C[6a]C[3x6]C[6a])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	120.9735	1.722	2	120.9735	2.965	2	121.1607	2.832	6	121.1827	2.988	8	121.0065	2.560	324	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[3x6]	C[6a]	4:3:3:	3:3:4:3:	3:3:1:	C[3x6]-4:C[6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3x6]C[6,6,6a]2C[3x6])(C[6a]C[6a]H)2	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[3x6]C[3x6]C[6]H)(C[6a]C[6a]2)	C[6a](C[6a]C[3x6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[3x6]C[6,6,6a]2C[3x6])(C[6a]C[6a]H)2{1|C<4>,3|H<1>,6|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[3x6]C[3x6]C[6]H)(C[6a]C[6a]2){2|C<4>,6|H<1>,7|C<3>}	C[6a](C[6a]C[3x6]C[6a])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	121.1655	2.379	2	121.2542	3.697	4	121.1607	2.832	6	121.1827	2.988	8	121.0065	2.560	324	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[3x6]	C[6a]	4:3:3:	3:3:4:3:	3:3:1:	C[3x6]-4:C[6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3x6]C[6,6,6a]2C[3x6])(C[6a]C[6a]H)2	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[3x6]C[3x6]C[6]H)(C[6a]C[6a]2)	C[6a](C[6a]C[3x6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[3x6]C[6,6,6a]2C[3x6])(C[6a]C[6a]H)2{2|C<4>,3|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[3x6]C[3x6]C[6]H)(C[6a]C[6a]2){3|C<4>,6|C<3>,7|H<1>}	C[6a](C[6a]C[3x6]C[6a])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	121.3430	2.324	2	121.2542	3.697	4	121.1607	2.832	6	121.1827	2.988	8	121.0065	2.560	324	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[3x6]	C[6a]	4:3:3:	3:3:4:3:	3:3:1:	C[3x6]-4:C[6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3x6]C[6,6,6a]2C[6,6])(C[6a]C[6a]H)2	C[3x6](C[6,6,6a]C[6,6a,6a]C[5,6,6a])(C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[6,6]C[6a]N[6]O[6])(C[6a]C[6a]2)	C[6a](C[6a]C[3x6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[3x6]C[6,6,6a]2C[6,6])(C[6a]C[6a]H)2{1|N<3>,1|O<2>,2|H<1>,6|C<3>}	C[3x6](C[6,6,6a]C[6,6a,6a]C[5,6,6a])(C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[6,6]C[6a]N[6]O[6])(C[6a]C[6a]2){2|C<4>,3|H<1>,9|C<3>}	C[6a](C[6a]C[3x6]C[6a])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	121.2490	2.596	2	121.2490	6.742	2	121.2490	6.742	2	121.1827	2.988	8	121.0065	2.560	324	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[3x6]	C[6a]	4:3:3:	3:4:2:3:	3:3:1:	C[3x6]-4:C[6a]-3:C[6a]-3:	C[6,6]-3:C[6,6]-4:O[6,6]-2:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3x6]C[6,6]2O[6,6])(C[6a]C[6a]H)2	C[3x6](C[6,6]C[6,6]C[6a])(C[6,6]C[5,6,6]CH)(O[6,6]C[5,6,6])(C[6a]C[6a]2)	C[6a](C[6a]C[3x6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[3x6]C[6,6]2O[6,6])(C[6a]C[6a]H)2{2|C<4>,3|H<1>,4|C<3>}	C[3x6](C[6,6]C[6,6]C[6a])(C[6,6]C[5,6,6]CH)(O[6,6]C[5,6,6])(C[6a]C[6a]2){1|C<4>,2|H<1>,9|C<3>}	C[6a](C[6a]C[3x6]C[6a])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	121.3395	0.670	2	121.3395	0.448	2	121.3395	0.448	2	121.3395	0.448	2	121.0065	2.560	324	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[3x6]	C[6a]	4:3:3:	3:4:3:3:	3:3:1:	C[3x6]-4:C[6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3x6]C[6,6,6a]C[6,6]2)(C[6a]C[6a]H)2	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6,6]O[6,6]O)(C[6a]C[6a]2)	C[6a](C[6a]C[3x6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[3x6]C[6,6,6a]C[6,6]2)(C[6a]C[6a]H)2{1|C<4>,1|O<1>,1|O<2>,3|C<3>,4|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6,6]O[6,6]O)(C[6a]C[6a]2){1|C<4>,4|C<3>,5|H<1>}	C[6a](C[6a]C[3x6]C[6a])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	120.8325	1.657	4	120.8325	2.747	4	120.8325	2.747	4	120.8325	2.747	4	121.0065	2.560	324	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[3x6]	C[6a]	4:3:3:	3:4:4:3:	3:3:1:	C[3x6]-4:C[6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3x6]C[6,6,6a]C[6,6]2)(C[6a]C[6a]H)2	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6,6]O[6,6]HH)(C[6a]C[6a]2)	C[6a](C[6a]C[3x6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[3x6]C[6,6,6a]C[6,6]2)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,3|C<3>,6|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6,6]O[6,6]HH)(C[6a]C[6a]2){1|C<4>,4|C<3>,5|H<1>}	C[6a](C[6a]C[3x6]C[6a])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	121.0980	1.615	2	121.0980	2.608	2	121.0980	2.608	2	121.0980	2.608	2	121.0065	2.560	324	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[3x6]	C[6a]	4:3:3:	4:3:2:3:	3:3:1:	C[3x6]-4:C[6a]-3:C[6a]-3:	C[5,6,6]-4:C[6,6]-3:O[6,6]-2:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3x6]C[5,6,6]C[6,6]O[6,6])(C[6a]C[6a]H)2	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]H)(O[6,6]C[6,6])(C[6a]C[6a]2)	C[6a](C[6a]C[3x6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[3x6]C[5,6,6]C[6,6]O[6,6])(C[6a]C[6a]H)2{2|C<4>,3|C<3>,4|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]H)(O[6,6]C[6,6])(C[6a]C[6a]2){1|N<3>,1|O<1>,2|C<4>,3|C<3>,5|H<1>}	C[6a](C[6a]C[3x6]C[6a])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	121.0785	0.941	2	121.0785	0.886	2	121.0785	0.886	2	121.0853	1.632	4	121.0065	2.560	324	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[3x6]	C[6a]	4:3:3:	4:3:2:3:	3:3:1:	C[3x6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6,6]-3:N[6,6]-2:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3x6]C[6,6]2N[6,6])(C[6a]C[6a]H)2	C[3x6](C[6,6]C[6,6]HH)(C[6,6]N[6,6]O)(N[6,6]C[6,6])(C[6a]C[6a]2)	C[6a](C[6a]C[3x6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[3x6]C[6,6]2N[6,6])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[3x6](C[6,6]C[6,6]HH)(C[6,6]N[6,6]O)(N[6,6]C[6,6])(C[6a]C[6a]2){2|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[3x6]C[6a])(C[6a]C[6a]H)(H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	121.0920	2.003	2	121.0920	4.010	2	121.0920	4.010	2	121.0853	1.632	4	121.0065	2.560	324	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[3x6]	C[6a]	4:3:3:	4:3:3:3:	3:3:1:	C[3x6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6,6]-3:C[6,6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3x6]C[6,6]3)(C[6a]C[6a]H)2	C[3x6](C[6,6]C[6,6]HH)(C[6,6]N[6,6]O)2(C[6a]C[6a]2)	C[6a](C[6a]C[3x6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[3x6]C[6,6]3)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,2|N<3>,2|O<1>,4|H<1>}	C[3x6](C[6,6]C[6,6]HH)(C[6,6]N[6,6]O)2(C[6a]C[6a]2){1|C<4>,2|C<3>,6|H<1>}	C[6a](C[6a]C[3x6]C[6a])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	120.9253	1.716	4	120.9253	2.944	4	120.9253	2.944	4	120.6579	1.798	8	121.0065	2.560	324	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[3x6]	C[6a]	4:3:3:	4:3:3:3:	3:3:1:	C[3x6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:N[6,6]-3:N[6,6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3x6]C[6,6]N[6,6]2)(C[6a]C[6a]H)2	C[3x6](C[6,6]C[6,6]HH)(N[6,6]C[6,6]H)2(C[6a]C[6a]2)	C[6a](C[6a]C[3x6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[3x6]C[6,6]N[6,6]2)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,6|H<1>}	C[3x6](C[6,6]C[6,6]HH)(N[6,6]C[6,6]H)2(C[6a]C[6a]2){1|C<4>,2|C<3>,2|O<1>,4|H<1>}	C[6a](C[6a]C[3x6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|N<3>}	120.3905	1.030	4	120.3905	1.061	4	120.3905	1.061	4	120.6579	1.798	8	121.0065	2.560	324	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[3x6]	C[6a]	4:3:3:	4:4:2:3:	3:3:1:	C[3x6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6,6]-4:N[6,6]-2:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3x6]C[6,6]2N[6,6])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[3x6](C[6,6]C[3x6]HH)2(N[6,6]C[6,6])(C[6a]C[6a]2)	C[6a](C[6a]C[3x6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[3x6]C[6,6]2N[6,6])(C[6a]C[6a]H)(C[6a]C[6a]O){2|C<3>,2|C<4>,6|H<1>}	C[3x6](C[6,6]C[3x6]HH)2(N[6,6]C[6,6])(C[6a]C[6a]2){1|O<2>,2|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[3x6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|O<2>,2|C<4>}	120.3320	0.000	1	120.3320	0.000	1	120.8142	1.686	5	120.9040	0.911	11	121.0065	2.560	324	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[3x6]	C[6a]	4:3:3:	4:4:2:3:	3:3:1:	C[3x6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6,6]-4:N[6,6]-2:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3x6]C[6,6]2N[6,6])(C[6a]C[6a]H)2	C[3x6](C[6,6]C[3x6]HH)2(N[6,6]C[6,6])(C[6a]C[6a]2)	C[6a](C[6a]C[3x6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[3x6]C[6,6]2N[6,6])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,6|H<1>}	C[3x6](C[6,6]C[3x6]HH)2(N[6,6]C[6,6])(C[6a]C[6a]2){2|C<4>,4|C<3>,4|H<1>}	C[6a](C[6a]C[3x6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	120.9348	1.467	4	120.9348	2.152	4	120.8142	1.686	5	120.9040	0.911	11	121.0065	2.560	324	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[3x6]	C[6a]	4:3:3:	4:4:2:3:	3:3:1:	C[3x6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6,6]-4:O[6,6]-2:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3x6]C[6,6]2O[6,6])(C[6a]C[6a]H)2	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(C[6a]C[6a]2)	C[6a](C[6a]C[3x6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[3x6]C[6,6]2O[6,6])(C[6a]C[6a]H)2{2|C<3>,3|C<4>,5|H<1>}	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(C[6a]C[6a]2){1|O<1>,2|C<3>,3|H<1>,4|C<4>}	C[6a](C[6a]C[3x6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	121.3720	0.996	2	121.3720	0.991	2	120.9788	0.459	6	120.9040	0.911	11	121.0065	2.560	324	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[3x6]	C[6a]	4:3:3:	4:4:2:3:	3:3:1:	C[3x6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6,6]-4:O[6,6]-2:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3x6]C[6,6]2O[6,6])(C[6a]C[6a]H)2	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]HO)(O[6,6]O[6,6])(C[6a]C[6a]2)	C[6a](C[6a]C[3x6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[3x6]C[6,6]2O[6,6])(C[6a]C[6a]H)2{1|C<3>,2|C<4>,2|O<2>,5|H<1>}	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]HO)(O[6,6]O[6,6])(C[6a]C[6a]2){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C[6a](C[6a]C[3x6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|F<1>,1|H<1>,1|O<2>,2|C<4>}	120.7823	0.529	4	120.7823	0.280	4	120.9788	0.459	6	120.9040	0.911	11	121.0065	2.560	324	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[3x6]	C[6a]	4:3:3:	4:4:2:3:	3:3:2:	C[3x6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6,6]-4:N[6,6]-2:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[3x6]C[6,6]2N[6,6])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[3x6](C[6,6]C[3x6]HH)2(N[6,6]C[6,6])(C[6a]C[6a]2)	C[6a](C[6a]C[3x6]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[3x6]C[6,6]2N[6,6])(C[6a]C[6a]H)(C[6a]C[6a]O){2|C<3>,2|C<4>,6|H<1>}	C[3x6](C[6,6]C[3x6]HH)2(N[6,6]C[6,6])(C[6a]C[6a]2){1|O<2>,2|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[3x6]C[6a])(C[6a]C[6a]H)(OC){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	123.0610	0.000	1	123.0610	0.000	1	123.0610	0.000	1	123.0610	0.000	1	121.0065	2.560	324	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[3x6]	C[6a]	4:3:3:	4:4:3:3:	3:3:1:	C[3x6]-4:C[6a]-3:C[6a]-3:	C[3x6]-4:C[3x6]-4:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3x6]C[3x6]2C[6])(C[6a]C[6a]H)2	C[3x6](C[3x6]C[3x6]C[5,6]H)(C[3x6]C[6,6]2C)(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6a]C[3x6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[3x6]C[3x6]2C[6])(C[6a]C[6a]H)2{3|C<4>,4|C<3>,4|H<1>}	C[3x6](C[3x6]C[3x6]C[5,6]H)(C[3x6]C[6,6]2C)(C[6a]C[6a]2)(C[6]C[6]H){1|O<1>,1|O<2>,3|C<4>,4|C<3>,4|H<1>}	C[6a](C[6a]C[3x6]C[6a])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	121.0680	0.199	2	121.0680	0.040	2	121.0680	0.040	2	121.0680	0.040	2	121.0065	2.560	324	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[3x6]	C[6a]	4:3:3:	4:4:4:3:	3:3:1:	C[3x6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3x6]C[6,6]3)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[3x6](C[6,6]C[3x6]HH)3(C[6a]C[6a]2)	C[6a](C[6a]C[3x6]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[3x6]C[6,6]3)(C[6a]C[6a]H)(C[6a]C[6a]O){2|C<3>,3|C<4>,7|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(C[6a]C[6a]2){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[6a](C[6a]C[3x6]C[6a])(C[6a]C[6a]2)(H){1|H<1>,1|N<2>,1|O<2>,2|C<3>,3|C<4>}	121.1580	0.000	1	121.1580	0.000	1	121.1546	1.871	170	121.1570	1.869	172	121.0065	2.560	324	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[3x6]	C[6a]	4:3:3:	4:4:4:3:	3:3:1:	C[3x6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3x6]C[6,6]3)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[3x6](C[6,6]C[3x6]HH)3(C[6a]C[6a]2)	C[6a](C[6a]C[3x6]C[6a])(C[6a]C[6a]Br)(H)	C[6a](C[3x6]C[6,6]3)(C[6a]C[6a]H)(C[6a]C[6a]O){1|Br<1>,1|C<3>,3|C<4>,7|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(C[6a]C[6a]2){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[6a](C[6a]C[3x6]C[6a])(C[6a]C[6a]Br)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	120.4600	0.000	1	120.4600	0.000	1	121.1546	1.871	170	121.1570	1.869	172	121.0065	2.560	324	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[3x6]	C[6a]	4:3:3:	4:4:4:3:	3:3:1:	C[3x6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3x6]C[6,6]3)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[3x6](C[6,6]C[3x6]HH)3(C[6a]C[6a]2)	C[6a](C[6a]C[3x6]C[6a])(C[6a]C[6a]C)(H)	C[6a](C[3x6]C[6,6]3)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,1|N<3>,4|C<4>,6|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(C[6a]C[6a]2){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[6a](C[6a]C[3x6]C[6a])(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	122.0350	0.000	1	121.4414	0.698	25	121.1546	1.871	170	121.1570	1.869	172	121.0065	2.560	324	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[3x6]	C[6a]	4:3:3:	4:4:4:3:	3:3:1:	C[3x6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3x6]C[6,6]3)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[3x6](C[6,6]C[3x6]HH)3(C[6a]C[6a]2)	C[6a](C[6a]C[3x6]C[6a])(C[6a]C[6a]C)(H)	C[6a](C[3x6]C[6,6]3)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,5|C<4>,6|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(C[6a]C[6a]2){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[6a](C[6a]C[3x6]C[6a])(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	121.5898	0.597	16	121.4414	0.698	25	121.1546	1.871	170	121.1570	1.869	172	121.0065	2.560	324	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[3x6]	C[6a]	4:3:3:	4:4:4:3:	3:3:1:	C[3x6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3x6]C[6,6]3)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[3x6](C[6,6]C[3x6]HH)3(C[6a]C[6a]2)	C[6a](C[6a]C[3x6]C[6a])(C[6a]C[6a]C)(H)	C[6a](C[3x6]C[6,6]3)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,5|C<4>,6|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(C[6a]C[6a]2){1|O<3>,2|C<3>,3|C<4>,4|H<1>}	C[6a](C[6a]C[3x6]C[6a])(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|O<3>,3|C<4>}	119.3785	0.534	2	121.4414	0.698	25	121.1546	1.871	170	121.1570	1.869	172	121.0065	2.560	324	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[3x6]	C[6a]	4:3:3:	4:4:4:3:	3:3:1:	C[3x6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3x6]C[6,6]3)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[3x6](C[6,6]C[3x6]HH)3(C[6a]C[6a]2)	C[6a](C[6a]C[3x6]C[6a])(C[6a]C[6a]C)(H)	C[6a](C[3x6]C[6,6]3)(C[6a]C[6a]H)(C[6a]C[6a]O){2|C<3>,4|C<4>,6|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(C[6a]C[6a]2){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[6a](C[6a]C[3x6]C[6a])(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	121.6343	0.582	6	121.4414	0.698	25	121.1546	1.871	170	121.1570	1.869	172	121.0065	2.560	324	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[3x6]	C[6a]	4:3:3:	4:4:4:3:	3:3:1:	C[3x6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3x6]C[6,6]3)(C[6a]C[6a]H)(C[6a]C[6a]S)	C[3x6](C[6,6]C[3x6]HH)3(C[6a]C[6a]2)	C[6a](C[6a]C[3x6]C[6a])(C[6a]C[6a]C)(H)	C[6a](C[3x6]C[6,6]3)(C[6a]C[6a]H)(C[6a]C[6a]S){1|C<3>,4|C<4>,7|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(C[6a]C[6a]2){1|S<2>,2|C<3>,3|C<4>,4|H<1>}	C[6a](C[6a]C[3x6]C[6a])(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|S<2>,3|C<4>}	120.0640	0.000	1	120.0640	0.000	1	121.1546	1.871	170	121.1570	1.869	172	121.0065	2.560	324	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[3x6]	C[6a]	4:3:3:	4:4:4:3:	3:3:1:	C[3x6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3x6]C[6,6]3)(C[6a]C[6a]H)2	C[3x6](C[6,6]C[3x5,4x6]HH)(C[6,6]C[5,5,6,6]HH)(C[6,6]C[6,6]HH)(C[6a]C[6a]2)	C[6a](C[6a]C[3x6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[3x6]C[6,6]3)(C[6a]C[6a]H)2{1|C<3>,3|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x5,4x6]HH)(C[6,6]C[5,5,6,6]HH)(C[6,6]C[6,6]HH)(C[6a]C[6a]2){3|C<4>,4|C<3>,4|H<1>}	C[6a](C[6a]C[3x6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	121.3715	0.713	2	121.3715	0.509	2	121.1546	1.871	170	121.1570	1.869	172	121.0065	2.560	324	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[3x6]	C[6a]	4:3:3:	4:4:4:3:	3:3:1:	C[3x6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3x6]C[6,6]3)(C[6a]C[6a]H)2	C[3x6](C[6,6]C[3x6]HH)3(C[6a]C[6a]2)	C[6a](C[6a]C[3x6]C[6a])(C[6a]C[6a]Br)(H)	C[6a](C[3x6]C[6,6]3)(C[6a]C[6a]H)2{1|Br<1>,1|C<3>,3|C<4>,7|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(C[6a]C[6a]2){3|C<3>,3|C<4>,4|H<1>}	C[6a](C[6a]C[3x6]C[6a])(C[6a]C[6a]Br)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	120.4221	0.443	8	120.4221	0.196	8	121.1546	1.871	170	121.1570	1.869	172	121.0065	2.560	324	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[3x6]	C[6a]	4:3:3:	4:4:4:3:	3:3:1:	C[3x6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3x6]C[6,6]3)(C[6a]C[6a]H)2	C[3x6](C[6,6]C[3x6]HH)3(C[6a]C[6a]2)	C[6a](C[6a]C[3x6]C[6a])(C[6a]C[6a]C)(H)	C[6a](C[3x6]C[6,6]3)(C[6a]C[6a]H)2{1|C<3>,5|C<4>,6|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(C[6a]C[6a]2){2|C<3>,3|C<4>,5|H<1>}	C[6a](C[6a]C[3x6]C[6a])(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	121.0778	0.852	4	121.3655	1.769	12	121.1546	1.871	170	121.1570	1.869	172	121.0065	2.560	324	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[3x6]	C[6a]	4:3:3:	4:4:4:3:	3:3:1:	C[3x6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3x6]C[6,6]3)(C[6a]C[6a]H)2	C[3x6](C[6,6]C[3x6]HH)3(C[6a]C[6a]2)	C[6a](C[6a]C[3x6]C[6a])(C[6a]C[6a]C)(H)	C[6a](C[3x6]C[6,6]3)(C[6a]C[6a]H)2{1|C<3>,5|C<4>,6|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(C[6a]C[6a]2){2|C<3>,3|C<4>,5|H<1>}	C[6a](C[6a]C[3x6]C[6a])(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	121.2847	1.763	6	121.3655	1.769	12	121.1546	1.871	170	121.1570	1.869	172	121.0065	2.560	324	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[3x6]	C[6a]	4:3:3:	4:4:4:3:	3:3:1:	C[3x6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3x6]C[6,6]3)(C[6a]C[6a]H)2	C[3x6](C[6,6]C[3x6]HH)3(C[6a]C[6a]2)	C[6a](C[6a]C[3x6]C[6a])(C[6a]C[6a]C)(H)	C[6a](C[3x6]C[6,6]3)(C[6a]C[6a]H)2{2|C<3>,4|C<4>,6|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(C[6a]C[6a]2){2|C<3>,3|C<4>,5|H<1>}	C[6a](C[6a]C[3x6]C[6a])(C[6a]C[6a]C)(H){1|C<3>,2|H<1>,3|C<4>}	122.1835	0.155	2	121.3655	1.769	12	121.1546	1.871	170	121.1570	1.869	172	121.0065	2.560	324	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[3x6]	C[6a]	4:3:3:	4:4:4:3:	3:3:1:	C[3x6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3x6]C[6,6]3)(C[6a]C[6a]H)2	C[3x6](C[6,6]C[3x6]HH)3(C[6a]C[6a]2)	C[6a](C[6a]C[3x6]C[6a])(C[6a]C[6a]Cl)(H)	C[6a](C[3x6]C[6,6]3)(C[6a]C[6a]H)2{1|Cl<1>,1|C<3>,3|C<4>,7|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(C[6a]C[6a]2){3|C<3>,3|C<4>,4|H<1>}	C[6a](C[6a]C[3x6]C[6a])(C[6a]C[6a]Cl)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	122.1553	1.257	6	121.7594	1.658	10	121.1546	1.871	170	121.1570	1.869	172	121.0065	2.560	324	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[3x6]	C[6a]	4:3:3:	4:4:4:3:	3:3:1:	C[3x6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3x6]C[6,6]3)(C[6a]C[6a]H)2	C[3x6](C[6,6]C[3x6]HH)3(C[6a]C[6a]2)	C[6a](C[6a]C[3x6]C[6a])(C[6a]C[6a]Cl)(H)	C[6a](C[3x6]C[6,6]3)(C[6a]C[6a]H)2{1|Cl<1>,1|C<3>,4|C<4>,6|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(C[6a]C[6a]2){2|C<3>,3|C<4>,5|H<1>}	C[6a](C[6a]C[3x6]C[6a])(C[6a]C[6a]Cl)(H){1|C<3>,2|H<1>,3|C<4>}	121.1655	1.247	4	121.7594	1.658	10	121.1546	1.871	170	121.1570	1.869	172	121.0065	2.560	324	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[3x6]	C[6a]	4:3:3:	4:4:4:3:	3:3:1:	C[3x6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3x6]C[6,6]3)(C[6a]C[6a]H)2	C[3x6](C[6,6]C[3x6]HH)3(C[6a]C[6a]2)	C[6a](C[6a]C[3x6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[3x6]C[6,6]3)(C[6a]C[6a]H)2{1|Br<1>,1|C<3>,3|C<4>,7|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(C[6a]C[6a]2){3|C<3>,3|C<4>,4|H<1>}	C[6a](C[6a]C[3x6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	122.5380	0.415	8	121.6933	2.330	42	121.1546	1.871	170	121.1570	1.869	172	121.0065	2.560	324	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[3x6]	C[6a]	4:3:3:	4:4:4:3:	3:3:1:	C[3x6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3x6]C[6,6]3)(C[6a]C[6a]H)2	C[3x6](C[6,6]C[3x6]HH)3(C[6a]C[6a]2)	C[6a](C[6a]C[3x6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[3x6]C[6,6]3)(C[6a]C[6a]H)2{1|C<3>,3|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(C[6a]C[6a]2){2|H<1>,3|C<4>,5|C<3>}	C[6a](C[6a]C[3x6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	121.1975	2.782	2	121.6933	2.330	42	121.1546	1.871	170	121.1570	1.869	172	121.0065	2.560	324	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[3x6]	C[6a]	4:3:3:	4:4:4:3:	3:3:1:	C[3x6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3x6]C[6,6]3)(C[6a]C[6a]H)2	C[3x6](C[6,6]C[3x6]HH)3(C[6a]C[6a]2)	C[6a](C[6a]C[3x6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[3x6]C[6,6]3)(C[6a]C[6a]H)2{1|C<3>,3|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(C[6a]C[6a]2){3|C<3>,3|C<4>,4|H<1>}	C[6a](C[6a]C[3x6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	121.6940	1.602	16	121.6933	2.330	42	121.1546	1.871	170	121.1570	1.869	172	121.0065	2.560	324	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[3x6]	C[6a]	4:3:3:	4:4:4:3:	3:3:1:	C[3x6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3x6]C[6,6]3)(C[6a]C[6a]H)2	C[3x6](C[6,6]C[3x6]HH)3(C[6a]C[6a]2)	C[6a](C[6a]C[3x6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[3x6]C[6,6]3)(C[6a]C[6a]H)2{1|C<3>,3|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(C[6a]C[6a]2){3|C<3>,3|C<4>,4|H<1>}	C[6a](C[6a]C[3x6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	121.8005	1.806	4	121.6933	2.330	42	121.1546	1.871	170	121.1570	1.869	172	121.0065	2.560	324	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[3x6]	C[6a]	4:3:3:	4:4:4:3:	3:3:1:	C[3x6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3x6]C[6,6]3)(C[6a]C[6a]H)2	C[3x6](C[6,6]C[3x6]HH)3(C[6a]C[6a]2)	C[6a](C[6a]C[3x6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[3x6]C[6,6]3)(C[6a]C[6a]H)2{1|C<3>,3|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(C[6a]C[6a]2){3|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[3x6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	121.2940	2.203	2	121.6933	2.330	42	121.1546	1.871	170	121.1570	1.869	172	121.0065	2.560	324	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[3x6]	C[6a]	4:3:3:	4:4:4:3:	3:3:1:	C[3x6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3x6]C[6,6]3)(C[6a]C[6a]H)2	C[3x6](C[6,6]C[3x6]HH)3(C[6a]C[6a]2)	C[6a](C[6a]C[3x6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[3x6]C[6,6]3)(C[6a]C[6a]H)2{1|C<3>,3|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(C[6a]C[6a]2){3|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[3x6]C[6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,3|C<4>}	121.4660	1.525	2	121.6933	2.330	42	121.1546	1.871	170	121.1570	1.869	172	121.0065	2.560	324	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[3x6]	C[6a]	4:3:3:	4:4:4:3:	3:3:1:	C[3x6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3x6]C[6,6]3)(C[6a]C[6a]H)2	C[3x6](C[6,6]C[3x6]HH)3(C[6a]C[6a]2)	C[6a](C[6a]C[3x6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[3x6]C[6,6]3)(C[6a]C[6a]H)2{1|C<3>,4|C<4>,7|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(C[6a]C[6a]2){2|C<3>,3|C<4>,5|H<1>}	C[6a](C[6a]C[3x6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	122.1240	2.315	2	121.6933	2.330	42	121.1546	1.871	170	121.1570	1.869	172	121.0065	2.560	324	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[3x6]	C[6a]	4:3:3:	4:4:4:3:	3:3:1:	C[3x6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3x6]C[6,6]3)(C[6a]C[6a]H)2	C[3x6](C[6,6]C[3x6]HH)3(C[6a]C[6a]2)	C[6a](C[6a]C[3x6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[3x6]C[6,6]3)(C[6a]C[6a]H)2{1|Cl<1>,1|C<3>,3|C<4>,7|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(C[6a]C[6a]2){3|C<3>,3|C<4>,4|H<1>}	C[6a](C[6a]C[3x6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	120.7242	1.618	6	121.6933	2.330	42	121.1546	1.871	170	121.1570	1.869	172	121.0065	2.560	324	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[3x6]	C[6a]	4:3:3:	4:4:4:3:	3:3:1:	C[3x6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3x6]C[6,6]3)(C[6a]C[6a]H)2	C[3x6](C[6,6]C[3x6]HH)3(C[6a]C[6a]2)	C[6a](C[6a]C[3x6]C[6a])(C[6a]C[6a]I)(H)	C[6a](C[3x6]C[6,6]3)(C[6a]C[6a]H)2{1|C<3>,1|I<1>,4|C<4>,6|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(C[6a]C[6a]2){2|C<3>,3|C<4>,5|H<1>}	C[6a](C[6a]C[3x6]C[6a])(C[6a]C[6a]I)(H){1|C<3>,2|H<1>,3|C<4>}	120.5650	1.843	2	120.5650	3.396	2	121.1546	1.871	170	121.1570	1.869	172	121.0065	2.560	324	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[3x6]	C[6a]	4:3:3:	4:4:4:3:	3:3:1:	C[3x6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3x6]C[6,6]3)(C[6a]C[6a]H)2	C[3x6](C[6,6]C[3x6]HH)3(C[6a]C[6a]2)	C[6a](C[6a]C[3x6]C[6a])(C[6a]C[6a]O)(H)	C[6a](C[3x6]C[6,6]3)(C[6a]C[6a]H)2{1|C<3>,1|O<2>,4|C<4>,6|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(C[6a]C[6a]2){2|C<3>,3|C<4>,5|H<1>}	C[6a](C[6a]C[3x6]C[6a])(C[6a]C[6a]O)(H){1|C<3>,2|H<1>,3|C<4>}	122.9045	0.260	2	120.7100	1.963	52	121.1546	1.871	170	121.1570	1.869	172	121.0065	2.560	324	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[3x6]	C[6a]	4:3:3:	4:4:4:3:	3:3:1:	C[3x6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3x6]C[6,6]3)(C[6a]C[6a]H)2	C[3x6](C[6,6]C[3x6]HH)3(C[6a]C[6a]2)	C[6a](C[6a]C[3x6]C[6a])(C[6a]C[6a]O)(H)	C[6a](C[3x6]C[6,6]3)(C[6a]C[6a]H)2{1|C<3>,2|O<2>,3|C<4>,6|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(C[6a]C[6a]2){3|C<3>,3|C<4>,4|H<1>}	C[6a](C[6a]C[3x6]C[6a])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	120.5859	1.310	44	120.7100	1.963	52	121.1546	1.871	170	121.1570	1.869	172	121.0065	2.560	324	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[3x6]	C[6a]	4:3:3:	4:4:4:3:	3:3:1:	C[3x6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3x6]C[6,6]3)(C[6a]C[6a]H)2	C[3x6](C[6,6]C[3x6]HH)3(C[6a]C[6a]2)	C[6a](C[6a]C[3x6]C[6a])(C[6a]C[6a]O)(H)	C[6a](C[3x6]C[6,6]3)(C[6a]C[6a]H)2{1|C<3>,2|O<2>,3|C<4>,6|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(C[6a]C[6a]2){3|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[3x6]C[6a])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	120.8887	1.777	6	120.7100	1.963	52	121.1546	1.871	170	121.1570	1.869	172	121.0065	2.560	324	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[3x6]	C[6a]	4:3:3:	4:4:4:3:	3:3:1:	C[3x6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3x6]C[6,6]3)(C[6a]C[6a]H)2	C[3x6](C[6,6]C[3x6]HH)3(C[6a]C[6a]2)	C[6a](C[6a]C[3x6]C[6a])2(H)	C[6a](C[3x6]C[6,6]3)(C[6a]C[6a]H)2{1|C<3>,1|I<1>,4|C<4>,6|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(C[6a]C[6a]2){2|C<3>,3|C<4>,5|H<1>}	C[6a](C[6a]C[3x6]C[6a])2(H){1|C<3>,2|H<1>,6|C<4>}	121.7945	1.921	2	120.5441	2.152	12	121.1546	1.871	170	121.1570	1.869	172	121.0065	2.560	324	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[3x6]	C[6a]	4:3:3:	4:4:4:3:	3:3:1:	C[3x6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3x6]C[6,6]3)(C[6a]C[6a]H)2	C[3x6](C[6,6]C[3x6]HH)3(C[6a]C[6a]2)	C[6a](C[6a]C[3x6]C[6a])2(H)	C[6a](C[3x6]C[6,6]3)(C[6a]C[6a]H)2{1|C<3>,1|O<2>,4|C<4>,6|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(C[6a]C[6a]2){2|C<3>,3|C<4>,5|H<1>}	C[6a](C[6a]C[3x6]C[6a])2(H){1|C<3>,2|H<1>,6|C<4>}	119.0930	0.113	2	120.5441	2.152	12	121.1546	1.871	170	121.1570	1.869	172	121.0065	2.560	324	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[3x6]	C[6a]	4:3:3:	4:4:4:3:	3:3:1:	C[3x6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3x6]C[6,6]3)(C[6a]C[6a]H)2	C[3x6](C[6,6]C[3x6]HH)3(C[6a]C[6a]2)	C[6a](C[6a]C[3x6]C[6a])2(H)	C[6a](C[3x6]C[6,6]3)(C[6a]C[6a]H)2{1|C<3>,4|C<4>,7|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(C[6a]C[6a]2){2|C<3>,3|C<4>,5|H<1>}	C[6a](C[6a]C[3x6]C[6a])2(H){1|C<3>,2|H<1>,6|C<4>}	120.3325	2.382	2	120.5441	2.152	12	121.1546	1.871	170	121.1570	1.869	172	121.0065	2.560	324	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[3x6]	C[6a]	4:3:3:	4:4:4:3:	3:3:1:	C[3x6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3x6]C[6,6]3)(C[6a]C[6a]H)2	C[3x6](C[6,6]C[3x6]HH)3(C[6a]C[6a]2)	C[6a](C[6a]C[3x6]C[6a])2(H)	C[6a](C[3x6]C[6,6]3)(C[6a]C[6a]H)2{1|Cl<1>,1|C<3>,4|C<4>,6|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(C[6a]C[6a]2){2|C<3>,3|C<4>,5|H<1>}	C[6a](C[6a]C[3x6]C[6a])2(H){1|C<3>,2|H<1>,6|C<4>}	121.0415	1.313	4	120.5441	2.152	12	121.1546	1.871	170	121.1570	1.869	172	121.0065	2.560	324	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[3x6]	C[6a]	4:3:3:	4:4:4:3:	3:3:1:	C[3x6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3x6]C[6,6]3)(C[6a]C[6a]H)2	C[3x6](C[6,6]C[3x6]HH)3(C[6a]C[6a]2)	C[6a](C[6a]C[3x6]C[6a])2(H)	C[6a](C[3x6]C[6,6]3)(C[6a]C[6a]H)2{2|C<3>,4|C<4>,6|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(C[6a]C[6a]2){2|C<3>,3|C<4>,5|H<1>}	C[6a](C[6a]C[3x6]C[6a])2(H){1|C<3>,2|H<1>,6|C<4>}	119.9615	0.163	2	120.5441	2.152	12	121.1546	1.871	170	121.1570	1.869	172	121.0065	2.560	324	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[3x6]	C[6a]	4:3:3:	4:4:4:3:	3:3:1:	C[3x6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[3x6]C[6,6]3)(C[6a]C[6a]H)2	C[3x6](C[6,6]C[6,6]HH)3(C[6a]C[6a]2)	C[6a](C[6a]C[3x6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[3x6]C[6,6]3)(C[6a]C[6a]H)2{1|C<3>,3|C<4>,8|H<1>}	C[3x6](C[6,6]C[6,6]HH)3(C[6a]C[6a]2){1|C<4>,2|C<3>,8|H<1>}	C[6a](C[6a]C[3x6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	121.3805	0.641	2	121.3805	0.411	2	121.1546	1.871	170	121.1570	1.869	172	121.0065	2.560	324	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[3x6]	C[6a]	4:3:3:	4:4:4:3:	3:3:1:	C[3x6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C[6a]-3:	C[6a]-3:N[6a]-3:H-1:	C[6a](C[3x6]C[6,6]3)(C[6a]N[6a]H)(C[6a]N[6a]O)	C[3x6](C[6,6]C[3x6]HH)3(C[6a]C[6a]2)	C[6a](C[6a]C[3x6]C[6a])(N[6a]C[6a]C[5])(H)	C[6a](C[3x6]C[6,6]3)(C[6a]N[6a]H)(C[6a]N[6a]O){1|C<3>,4|C<4>,7|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(C[6a]C[6a]2){1|O<1>,2|N<3>,3|C<4>,4|H<1>}	C[6a](C[6a]C[3x6]C[6a])(N[6a]C[6a]C[5])(H){1|H<1>,1|N<3>,1|S<2>,2|O<1>,4|C<4>}	122.6550	0.000	1	122.6550	0.000	1	122.6550	0.000	1	121.1570	1.869	172	121.0065	2.560	324	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[3x6]	C[6a]	4:3:3:	4:4:4:3:	3:3:1:	C[3x6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C[6a]-3:	C[6a]-3:N[6a]-3:O-1:	C[6a](C[3x6]C[6,6]3)(C[6a]N[6a]H)(C[6a]N[6a]O)	C[3x6](C[6,6]C[3x6]HH)3(C[6a]C[6a]2)	C[6a](C[6a]C[3x6]C[6a])(N[6a]C[6a]H)(O)	C[6a](C[3x6]C[6,6]3)(C[6a]N[6a]H)(C[6a]N[6a]O){1|C<3>,4|C<4>,7|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(C[6a]C[6a]2){1|O<1>,2|N<3>,3|C<4>,4|H<1>}	C[6a](C[6a]C[3x6]C[6a])(N[6a]C[6a]H)(O){1|H<1>,1|N<3>,1|O<1>,3|C<4>}	120.0660	0.000	1	120.0660	0.000	1	120.0660	0.000	1	121.1570	1.869	172	121.0065	2.560	324	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[3x6]	C[6a]	4:3:3:	4:4:4:3:	3:3:2:	C[3x6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[3x6]C[6,6]3)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[3x6](C[6,6]C[3x6]HH)3(C[6a]C[6a]2)	C[6a](C[6a]C[3x6]C[6a])(C[6a]C[6a]C)(OAl)	C[6a](C[3x6]C[6,6]3)(C[6a]C[6a]H)(C[6a]C[6a]O){2|C<3>,4|C<4>,6|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(C[6a]C[6a]2){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[6a](C[6a]C[3x6]C[6a])(C[6a]C[6a]C)(OAl){1|C<3>,2|H<1>,3|C<4>}	120.4450	0.000	1	120.4450	0.000	1	121.0108	1.408	26	121.1330	1.757	27	121.0065	2.560	324	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[3x6]	C[6a]	4:3:3:	4:4:4:3:	3:3:2:	C[3x6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[3x6]C[6,6]3)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[3x6](C[6,6]C[3x6]HH)3(C[6a]C[6a]2)	C[6a](C[6a]C[3x6]C[6a])(C[6a]C[6a]C)(OCo)	C[6a](C[3x6]C[6,6]3)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,5|C<4>,6|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(C[6a]C[6a]2){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[6a](C[6a]C[3x6]C[6a])(C[6a]C[6a]C)(OCo){1|C<3>,2|H<1>,3|C<4>}	120.7253	0.250	3	120.7253	0.062	3	121.0108	1.408	26	121.1330	1.757	27	121.0065	2.560	324	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[3x6]	C[6a]	4:3:3:	4:4:4:3:	3:3:2:	C[3x6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[3x6]C[6,6]3)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[3x6](C[6,6]C[3x6]HH)3(C[6a]C[6a]2)	C[6a](C[6a]C[3x6]C[6a])(C[6a]C[6a]C)(OH)	C[6a](C[3x6]C[6,6]3)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,5|C<4>,6|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(C[6a]C[6a]2){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[6a](C[6a]C[3x6]C[6a])(C[6a]C[6a]C)(OH){1|C<3>,2|H<1>,3|C<4>}	122.4850	0.600	3	122.4850	0.360	3	121.0108	1.408	26	121.1330	1.757	27	121.0065	2.560	324	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[3x6]	C[6a]	4:3:3:	4:4:4:3:	3:3:2:	C[3x6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[3x6]C[6,6]3)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[3x6](C[6,6]C[3x6]HH)3(C[6a]C[6a]2)	C[6a](C[6a]C[3x6]C[6a])(C[6a]C[6a]C)(OMg)	C[6a](C[3x6]C[6,6]3)(C[6a]C[6a]H)(C[6a]C[6a]O){2|C<3>,4|C<4>,6|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(C[6a]C[6a]2){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[6a](C[6a]C[3x6]C[6a])(C[6a]C[6a]C)(OMg){1|C<3>,2|H<1>,3|C<4>}	120.2777	0.819	3	120.2777	0.671	3	121.0108	1.408	26	121.1330	1.757	27	121.0065	2.560	324	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[3x6]	C[6a]	4:3:3:	4:4:4:3:	3:3:2:	C[3x6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[3x6]C[6,6]3)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[3x6](C[6,6]C[3x6]HH)3(C[6a]C[6a]2)	C[6a](C[6a]C[3x6]C[6a])(C[6a]C[6a]C)(OMn)	C[6a](C[3x6]C[6,6]3)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,5|C<4>,6|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(C[6a]C[6a]2){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[6a](C[6a]C[3x6]C[6a])(C[6a]C[6a]C)(OMn){1|C<3>,2|H<1>,3|C<4>}	120.3511	0.289	7	120.3511	0.084	7	121.0108	1.408	26	121.1330	1.757	27	121.0065	2.560	324	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[3x6]	C[6a]	4:3:3:	4:4:4:3:	3:3:2:	C[3x6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[3x6]C[6,6]3)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[3x6](C[6,6]C[3x6]HH)3(C[6a]C[6a]2)	C[6a](C[6a]C[3x6]C[6a])(C[6a]C[6a]C)(OP)	C[6a](C[3x6]C[6,6]3)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,5|C<4>,6|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(C[6a]C[6a]2){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[6a](C[6a]C[3x6]C[6a])(C[6a]C[6a]C)(OP){1|C<3>,2|H<1>,3|C<4>}	123.2220	0.686	2	123.2220	0.470	2	121.0108	1.408	26	121.1330	1.757	27	121.0065	2.560	324	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[3x6]	C[6a]	4:3:3:	4:4:4:3:	3:3:2:	C[3x6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[3x6]C[6,6]3)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[3x6](C[6,6]C[3x6]HH)3(C[6a]C[6a]2)	C[6a](C[6a]C[3x6]C[6a])(C[6a]C[6a]C)(OZn)	C[6a](C[3x6]C[6,6]3)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,5|C<4>,6|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(C[6a]C[6a]2){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[6a](C[6a]C[3x6]C[6a])(C[6a]C[6a]C)(OZn){1|C<3>,2|H<1>,3|C<4>}	120.0970	0.052	2	119.9595	0.030	4	121.0108	1.408	26	121.1330	1.757	27	121.0065	2.560	324	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[3x6]	C[6a]	4:3:3:	4:4:4:3:	3:3:2:	C[3x6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[3x6]C[6,6]3)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[3x6](C[6,6]C[3x6]HH)3(C[6a]C[6a]2)	C[6a](C[6a]C[3x6]C[6a])(C[6a]C[6a]C)(OZn)	C[6a](C[3x6]C[6,6]3)(C[6a]C[6a]H)(C[6a]C[6a]O){2|C<3>,4|C<4>,6|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(C[6a]C[6a]2){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[6a](C[6a]C[3x6]C[6a])(C[6a]C[6a]C)(OZn){1|C<3>,2|H<1>,3|C<4>}	119.8220	0.105	2	119.9595	0.030	4	121.0108	1.408	26	121.1330	1.757	27	121.0065	2.560	324	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[3x6]	C[6a]	4:3:3:	4:4:4:3:	3:3:2:	C[3x6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[3x6]C[6,6]3)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[3x6](C[6,6]C[3x6]HH)3(C[6a]C[6a]2)	C[6a](C[6a]C[3x6]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[3x6]C[6,6]3)(C[6a]C[6a]H)(C[6a]C[6a]O){1|Br<1>,1|C<3>,3|C<4>,7|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(C[6a]C[6a]2){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[6a](C[6a]C[3x6]C[6a])(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>,3|C<4>}	122.9010	0.000	1	122.7335	0.056	2	121.0108	1.408	26	121.1330	1.757	27	121.0065	2.560	324	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[3x6]	C[6a]	4:3:3:	4:4:4:3:	3:3:2:	C[3x6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[3x6]C[6,6]3)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[3x6](C[6,6]C[3x6]HH)3(C[6a]C[6a]2)	C[6a](C[6a]C[3x6]C[6a])(C[6a]C[6a]H)(OC)	C[6a](C[3x6]C[6,6]3)(C[6a]C[6a]H)(C[6a]C[6a]O){2|C<3>,3|C<4>,7|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(C[6a]C[6a]2){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[6a](C[6a]C[3x6]C[6a])(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>,3|C<4>}	122.5660	0.000	1	122.7335	0.056	2	121.0108	1.408	26	121.1330	1.757	27	121.0065	2.560	324	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[3x6]	C[6a]	4:3:3:	4:4:4:3:	3:3:2:	C[3x6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[3x6]C[6,6]3)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[3x6](C[6,6]C[3x6]HH)3(C[6a]C[6a]2)	C[6a](C[6a]C[3x6]C[6a])(C[6a]C[6a]N)(ONi)	C[6a](C[3x6]C[6,6]3)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,1|N<3>,4|C<4>,6|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(C[6a]C[6a]2){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[6a](C[6a]C[3x6]C[6a])(C[6a]C[6a]N)(ONi){1|C<3>,2|H<1>,3|C<4>}	121.1650	0.000	1	121.1650	0.000	1	121.0108	1.408	26	121.1330	1.757	27	121.0065	2.560	324	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[3x6]	C[6a]	4:3:3:	4:4:4:3:	3:3:2:	C[3x6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C[6a]-3:	C[6a]-3:C[6a]-3:S-2:	C[6a](C[3x6]C[6,6]3)(C[6a]C[6a]H)(C[6a]C[6a]S)	C[3x6](C[6,6]C[3x6]HH)3(C[6a]C[6a]2)	C[6a](C[6a]C[3x6]C[6a])(C[6a]C[6a]H)(SC)	C[6a](C[3x6]C[6,6]3)(C[6a]C[6a]H)(C[6a]C[6a]S){1|C<3>,4|C<4>,7|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(C[6a]C[6a]2){1|S<2>,2|C<3>,3|C<4>,4|H<1>}	C[6a](C[6a]C[3x6]C[6a])(C[6a]C[6a]H)(SC){1|C<3>,2|H<1>,3|C<4>}	124.3100	0.000	1	124.3100	0.000	1	124.3100	0.000	1	121.1330	1.757	27	121.0065	2.560	324	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[3x6]	C[6a]	4:3:3:	4:4:4:3:	3:3:3:	C[3x6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C[6a]-3:	C[6a]-3:C[6a]-3:O-3:	C[6a](C[3x6]C[6,6]3)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[3x6](C[6,6]C[3x6]HH)3(C[6a]C[6a]2)	C[6a](C[6a]C[3x6]C[6a])(C[6a]C[6a]C)(OZn2)	C[6a](C[3x6]C[6,6]3)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,5|C<4>,6|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(C[6a]C[6a]2){1|O<3>,2|C<3>,3|C<4>,4|H<1>}	C[6a](C[6a]C[3x6]C[6a])(C[6a]C[6a]C)(OZn2){1|C<3>,2|H<1>,3|C<4>}	123.0785	0.176	2	123.0785	0.031	2	123.0785	0.031	2	123.0785	0.031	2	121.0065	2.560	324	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6,6]	C[6a]	4:3:2:	3:3:3:1:	3:3:1:	C[6,6]-4:C[6a]-3:N[6a]-2:	C[6a]-3:N[3x6]-3:N[3x6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6,6]N[3x6]2H)(C[6a]C[6a]H)(N[6a]C[6a])	C[6,6](C[6a]C[6a]N[6a])(N[3x6]C[6,6]2)2(H)	C[6a](C[6a]C[6,6]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6,6]N[3x6]2H)(C[6a]C[6a]H)(N[6a]C[6a]){1|Br<1>,1|C<3>,1|H<1>,4|C<4>}	C[6,6](C[6a]C[6a]N[6a])(N[3x6]C[6,6]2)2(H){1|C<4>,1|N<4>,4|C<3>,7|H<1>}	C[6a](C[6a]C[6,6]N[6a])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	120.2840	0.000	1	120.3808	2.155	4	120.3808	2.155	4	120.3808	2.155	4	121.0054	3.764	410	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6,6]	C[6a]	4:3:2:	3:3:3:1:	3:3:1:	C[6,6]-4:C[6a]-3:N[6a]-2:	C[6a]-3:N[3x6]-3:N[3x6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6,6]N[3x6]2H)(C[6a]C[6a]H)(N[6a]C[6a])	C[6,6](C[6a]C[6a]N[6a])(N[3x6]C[6,6]2)2(H)	C[6a](C[6a]C[6,6]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6,6]N[3x6]2H)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,2|H<1>,4|C<4>}	C[6,6](C[6a]C[6a]N[6a])(N[3x6]C[6,6]2)2(H){1|C<4>,1|N<3>,4|C<3>,7|H<1>}	C[6a](C[6a]C[6,6]N[6a])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	120.4130	1.796	3	120.3808	2.155	4	120.3808	2.155	4	120.3808	2.155	4	121.0054	3.764	410	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6,6]	C[6a]	4:3:2:	3:3:3:2:	3:3:1:	C[6,6]-4:C[6a]-3:N[6a]-2:	C[6,6,6a]-3:C[6a]-3:C[6]-3:N[6]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6,6]C[6,6,6a]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	C[6,6](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[6a]C[6a]N[6a])(C[6]C[6,6a]O)(N[6]C[6])	C[6a](C[6a]C[6,6]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6,6]C[6,6,6a]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|O<1>,2|H<1>,5|C<3>}	C[6,6](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[6a]C[6a]N[6a])(C[6]C[6,6a]O)(N[6]C[6]){1|C<4>,1|H<1>,7|C<3>}	C[6a](C[6a]C[6,6]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	121.6850	0.000	1	121.6850	0.000	1	121.6850	0.000	1	121.6850	0.000	1	121.0054	3.764	410	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6,6]	C[6a]	4:3:2:	3:3:3:3:	3:3:1:	C[6,6]-4:C[6a]-3:N[6a]-2:	C[6,6,6a]-3:C[6a]-3:C[6]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6,6]C[6,6,6a]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	C[6,6](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[6a]C[6a]N[6a])(C[6]C[6,6a]O)(N[6]C[6,6]H)	C[6a](C[6a]C[6,6]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6,6]C[6,6,6a]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[6,6](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[6a]C[6a]N[6a])(C[6]C[6,6a]O)(N[6]C[6,6]H){1|C<4>,1|H<1>,1|O<2>,7|C<3>}	C[6a](C[6a]C[6,6]N[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	122.1850	0.000	1	122.1850	0.000	1	122.1850	0.000	1	122.1850	0.000	1	121.0054	3.764	410	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6,6]	C[6a]	4:3:2:	3:4:3:1:	3:3:1:	C[6,6]-4:C[6a]-3:N[6a]-2:	C[6a]-3:N[3x6]-4:N[3x6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6,6]N[3x6]2H)(C[6a]C[6a]H)(N[6a]C[6a])	C[6,6](C[6a]C[6a]N[6a])(N[3x6]C[6,6]2H)(N[3x6]C[6,6]2)(H)	C[6a](C[6a]C[6,6]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6,6]N[3x6]2H)(C[6a]C[6a]H)(N[6a]C[6a]){1|Br<1>,1|C<3>,2|H<1>,4|C<4>}	C[6,6](C[6a]C[6a]N[6a])(N[3x6]C[6,6]2H)(N[3x6]C[6,6]2)(H){1|C<4>,1|N<3>,4|C<3>,7|H<1>}	C[6a](C[6a]C[6,6]N[6a])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,1|N<4>,2|H<1>}	120.0135	2.087	2	120.0135	4.354	2	120.0135	4.354	2	120.0135	4.354	2	121.0054	3.764	410	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6,6]	C[6a]	4:3:2:	3:4:3:3:	3:3:1:	C[6,6]-4:C[6a]-3:N[6a]-2:	C[6,6,6a]-3:C[6,6]-4:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6,6]C[6,6,6a]C[6,6]C[6])(C[6a]C[6a]H)(N[6a]C[6a])	C[6,6](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[6,6]C[6,6,6a]C[5,6]H)(C[6a]C[6a]N[6a])(C[6]C[6]H)	C[6a](C[6a]C[6,6]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6,6]C[6,6,6a]C[6,6]C[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,3|H<1>,6|C<3>}	C[6,6](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[6,6]C[6,6,6a]C[5,6]H)(C[6a]C[6a]N[6a])(C[6]C[6]H){1|C<4>,2|H<1>,8|C<3>}	C[6a](C[6a]C[6,6]N[6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	122.7650	0.000	1	121.7530	2.048	2	121.7530	2.048	2	121.7530	2.048	2	121.0054	3.764	410	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6,6]	C[6a]	4:3:2:	3:4:3:3:	3:3:1:	C[6,6]-4:C[6a]-3:N[6a]-2:	C[6,6,6a]-3:C[6,6]-4:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6,6]C[6,6,6a]C[6,6]C[6])(C[6a]C[6a]H)(N[6a]C[6a])	C[6,6](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[6,6]C[6,6,6a]C[5,6]H)(C[6a]C[6a]N[6a])(C[6]C[6]H)	C[6a](C[6a]C[6,6]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[6,6]C[6,6,6a]C[6,6]C[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,3|H<1>,6|C<3>}	C[6,6](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[6,6]C[6,6,6a]C[5,6]H)(C[6a]C[6a]N[6a])(C[6]C[6]H){2|C<4>,2|H<1>,7|C<3>}	C[6a](C[6a]C[6,6]N[6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	120.7410	0.000	1	121.7530	2.048	2	121.7530	2.048	2	121.7530	2.048	2	121.0054	3.764	410	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6,6]	C[6a]	4:3:3:	2:3:3:2:	3:3:1:	C[6,6]-4:C[6a]-3:C[6a]-3:	O[6]-2:C[6a]-3:N[6,6]-3:O[6]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6,6]N[6,6]O[6]2)(C[6a]C[6a]H)2	C[6,6](O[6]C[5,6,6])(C[6a]C[6a]2)(N[6,6]C[6]2)(O[6]C[6,6a])	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[6,6]N[6,6]O[6]2)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	C[6,6](O[6]C[5,6,6])(C[6a]C[6a]2)(N[6,6]C[6]2)(O[6]C[6,6a]){1|O<1>,2|C<4>,4|C<3>,5|H<1>}	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|O<2>}	120.7460	2.987	2	120.7460	8.921	2	120.7460	8.921	2	120.7460	8.921	2	121.0054	3.764	410	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6,6]	C[6a]	4:3:3:	2:3:4:4:	3:3:1:	C[6,6]-4:C[6a]-3:C[6a]-3:	N[6,6]-2:C[6a]-3:P[6]-4:P[6]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6,6]N[6,6]P[6]2)(C[6a]C[6a]H)2	C[6,6](N[6,6]C[6,6])(C[6a]C[6a]2)(P[6]O[6]OO)2	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[6,6]N[6,6]P[6]2)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,2|H<1>,2|O<1>,4|O<2>}	C[6,6](N[6,6]C[6,6])(C[6a]C[6a]2)(P[6]O[6]OO)2{2|H<1>,2|P<4>,3|C<3>}	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,2|H<1>,2|P<4>}	121.3590	2.076	2	121.3590	4.310	2	121.3590	4.310	2	121.3590	4.310	2	121.0054	3.764	410	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6,6]	C[6a]	4:3:3:	3:2:3:2:	3:3:1:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:O[6,6]-2:C[6a]-3:O[6]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6,6]C[6,6a]O[6,6]O[6])(C[6a]C[6a]H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6,6]C[6,6])(C[6a]C[6a]2)(O[6]N[6])	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[6,6]C[6,6a]O[6,6]O[6])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6,6]C[6,6])(C[6a]C[6a]2)(O[6]N[6]){1|C<4>,4|H<1>,5|C<3>}	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H){1|F<1>,1|H<1>,2|C<3>,2|O<2>}	120.2795	2.483	4	120.2795	6.166	4	120.2795	6.166	4	120.2795	6.166	4	121.0054	3.764	410	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6,6]	C[6a]	4:3:3:	3:3:2:2:	3:3:1:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[6,6]-3:C[6a]-3:O[6]-2:O[6]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6,6]C[6,6]O[6]2)(C[6a]C[6a]H)2	C[6,6](C[6,6]C[6,6a]C[6])(C[6a]C[6a]2)(O[6]C[6,6a])(O[6]C[6])	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[6,6]C[6,6]O[6]2)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[6,6](C[6,6]C[6,6a]C[6])(C[6a]C[6a]2)(O[6]C[6,6a])(O[6]C[6]){5|H<1>,6|C<3>}	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,3|O<2>}	121.1730	3.385	4	121.1730	11.459	4	121.1730	11.459	4	121.1730	11.459	4	121.0054	3.764	410	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6,6]	C[6a]	4:3:3:	3:3:2:4:	3:3:1:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[6,6]-3:C[6a]-3:O[6]-2:C[6]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6,6]C[6,6]C[6]O[6])(C[6a]C[6a]H)2	C[6,6](C[6,6]N[6]2)(C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HH)	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[6,6]C[6,6]C[6]O[6])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,1|N<3>,2|C<3>,4|H<1>}	C[6,6](C[6,6]N[6]2)(C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HH){2|C<4>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.8845	2.736	2	120.8845	7.485	2	120.8845	7.485	2	120.8845	7.485	2	121.0054	3.764	410	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6,6]	C[6a]	4:3:3:	3:3:3:1:	3:2:1:	C[6,6]-4:C[6a]-3:C[6a]-3:	N[3x6]-3:N[3x6]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-2:H-1:	C[6a](C[6,6]N[3x6]2H)(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6,6](N[3x6]C[6,6]2)2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6]C[6a])(N[6a]C[6a])(H)	C[6a](C[6,6]N[3x6]2H)(C[6a]C[6a]H)(C[6a]N[6a]H){1|C<3>,1|H<1>,4|C<4>}	C[6,6](N[3x6]C[6,6]2)2(C[6a]C[6a]2)(H){1|C<4>,1|N<2>,1|N<3>,3|C<3>,8|H<1>}	C[6a](C[6a]C[6,6]C[6a])(N[6a]C[6a])(H){1|C<3>,2|N<3>,3|H<1>}	121.2733	0.260	6	121.2733	0.068	6	121.2733	0.068	6	121.2733	0.068	6	121.0054	3.764	410	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6,6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6,6]-4:C[6a]-3:C[6a]-3:	N[3x6]-3:N[3x6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6,6]N[3x6]2H)(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6,6](N[3x6]C[6,6]2)2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[6,6]N[3x6]2H)(C[6a]C[6a]H)(C[6a]N[6a]H){1|C<3>,1|H<1>,4|C<4>}	C[6,6](N[3x6]C[6,6]2)2(C[6a]C[6a]2)(H){1|C<4>,1|N<2>,1|N<3>,3|C<3>,8|H<1>}	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H){1|N<2>,2|N<3>,3|H<1>}	121.1455	0.363	6	121.1455	0.132	6	121.0103	1.109	18	121.0103	1.109	18	121.0054	3.764	410	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6,6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6,6]-4:C[6a]-3:C[6a]-3:	N[3x6]-3:N[3x6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6,6]N[3x6]2H)(C[6a]C[6a]H)2	C[6,6](N[3x6]C[6,6]2)2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[6,6]N[3x6]2H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>,4|C<4>}	C[6,6](N[3x6]C[6,6]2)2(C[6a]C[6a]2)(H){1|N<3>,1|P<4>,4|C<3>,8|H<1>}	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|H<1>,2|N<3>}	120.9100	1.633	6	120.9100	2.668	6	121.0103	1.109	18	121.0103	1.109	18	121.0054	3.764	410	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6,6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6,6]-4:C[6a]-3:C[6a]-3:	N[3x6]-3:N[3x6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6,6]N[3x6]2H)(C[6a]C[6a]H)2	C[6,6](N[3x6]C[6,6]2)2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6]C[6a])(C[6a]N[6a]H)(H)	C[6a](C[6,6]N[3x6]2H)(C[6a]C[6a]H)2{1|N<2>,2|H<1>,4|C<4>}	C[6,6](N[3x6]C[6,6]2)2(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,4|C<3>,8|H<1>}	C[6a](C[6a]C[6,6]C[6a])(C[6a]N[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	120.9755	0.968	6	120.9755	0.936	6	121.0103	1.109	18	121.0103	1.109	18	121.0054	3.764	410	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6,6]	C[6a]	4:3:3:	3:3:3:2:	3:3:1:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-3:C[6a]-3:O[6]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6,6]C[6,6a]C[6,6]O[6])(C[6a]C[6a]H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(C[6a]C[6a]2)(O[6]C[6,6a])	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[6,6]C[6,6a]C[6,6]O[6])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,5|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(C[6a]C[6a]2)(O[6]C[6,6a]){1|O<2>,6|C<3>,6|H<1>}	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H){1|O<2>,2|H<1>,3|C<3>}	120.9040	2.560	2	120.9040	6.552	2	120.9040	6.552	2	120.9040	6.552	2	121.0054	3.764	410	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6,6]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6,6]C[6,6,6a]C[6,6a]C[6])(C[6a]C[6a]H)2	C[6,6](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[6,6a]C[6,6a,6a]C[5a,6a])(C[6]C[6a]N[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[6,6]C[6,6,6a]C[6,6a]C[6])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,6|C<3>}	C[6,6](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[6,6a]C[6,6a,6a]C[5a,6a])(C[6]C[6a]N[6])(C[6a]C[6a]2){10|C<3>,1|C<4>,2|H<1>}	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H){2|H<1>,4|C<3>}	120.9030	4.390	2	120.9030	19.270	2	120.9030	19.270	2	120.8923	6.574	8	121.0054	3.764	410	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6,6]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[6,6]-3:C[6a]-3:C[6]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6,6]C[6,6]C[6]2)(C[6a]C[6a]H)2	C[6,6](C[6,6]C[6]O[6])(C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]O)	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[6,6]C[6,6]C[6]2)(C[6a]C[6a]H)2{1|C<4>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[6,6](C[6,6]C[6]O[6])(C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]O){2|C<3>,2|C<4>,6|H<1>}	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	121.4665	3.381	2	121.4665	11.429	2	121.4665	11.429	2	120.8923	6.574	8	121.0054	3.764	410	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6,6]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:N[6,6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6,6]C[6,6a]N[6,6]C[6])(C[6a]C[6a]H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]O)(C[6a]C[6a]2)(N[6,6]C[6]2)	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[6,6]C[6,6a]N[6,6]C[6])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]O)(C[6a]C[6a]2)(N[6,6]C[6]2){1|O<1>,3|C<4>,4|C<3>,5|H<1>}	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H){1|N<3>,2|H<1>,3|C<3>}	120.5640	3.504	2	120.5640	12.281	2	120.5640	12.281	2	120.8923	6.574	8	121.0054	3.764	410	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6,6]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[6]-3:C[6a]-3:N[6,6]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6,6]N[6,6]C[6]N[6])(C[6a]C[6a]H)2	C[6,6](C[6]C[6a]N[6])(C[6a]C[6a]2)(N[6,6]C[6]2)(N[6]C[6]H)	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[6,6]N[6,6]C[6]N[6])(C[6a]C[6a]H)2{1|N<2>,2|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6]C[6a]N[6])(C[6a]C[6a]2)(N[6,6]C[6]2)(N[6]C[6]H){2|C<4>,4|C<3>,8|H<1>}	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H){2|C<3>,2|H<1>,2|N<3>}	120.6355	1.425	2	120.6355	2.030	2	120.6355	2.030	2	120.8923	6.574	8	121.0054	3.764	410	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6,6]	C[6a]	4:3:3:	3:3:4:4:	3:3:1:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[6,6]-3:C[6a]-3:C[6]-4:C[6]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6,6]C[6,6]C[6]2)(C[6a]C[6a]H)2	C[6,6](C[6,6]C[6,6]O)(C[6a]C[6a]2)(C[6]N[6]HH)2	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[6,6]C[6,6]C[6]2)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|O<1>,2|N<3>,6|H<1>}	C[6,6](C[6,6]C[6,6]O)(C[6a]C[6a]2)(C[6]N[6]HH)2{2|H<1>,3|C<3>,4|C<4>}	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	120.9880	2.677	8	120.8536	4.630	32	120.8536	4.630	32	120.8536	4.630	32	121.0054	3.764	410	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6,6]	C[6a]	4:3:3:	3:3:4:4:	3:3:1:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[6,6]-3:C[6a]-3:C[6]-4:C[6]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6,6]C[6,6]C[6]2)(C[6a]C[6a]H)2	C[6,6](C[6,6]C[6,6]O)(C[6a]C[6a]2)(C[6]N[6]HH)2	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[6,6]C[6,6]C[6]2)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|O<1>,2|N<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]O)(C[6a]C[6a]2)(C[6]N[6]HH)2{1|Co<5>,2|H<1>,3|C<3>,4|C<4>}	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	120.8468	2.157	8	120.8536	4.630	32	120.8536	4.630	32	120.8536	4.630	32	121.0054	3.764	410	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6,6]	C[6a]	4:3:3:	3:3:4:4:	3:3:1:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[6,6]-3:C[6a]-3:C[6]-4:C[6]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6,6]C[6,6]C[6]2)(C[6a]C[6a]H)2	C[6,6](C[6,6]C[6,6]O)(C[6a]C[6a]2)(C[6]N[6]HH)2	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[6,6]C[6,6]C[6]2)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|O<1>,2|N<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]O)(C[6a]C[6a]2)(C[6]N[6]HH)2{1|Co<6>,2|H<1>,3|C<3>,4|C<4>}	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	120.8702	2.287	4	120.8536	4.630	32	120.8536	4.630	32	120.8536	4.630	32	121.0054	3.764	410	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6,6]	C[6a]	4:3:3:	3:3:4:4:	3:3:1:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[6,6]-3:C[6a]-3:C[6]-4:C[6]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6,6]C[6,6]C[6]2)(C[6a]C[6a]H)2	C[6,6](C[6,6]C[6,6]O)(C[6a]C[6a]2)(C[6]N[6]HH)2	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[6,6]C[6,6]C[6]2)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|O<1>,2|N<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]O)(C[6a]C[6a]2)(C[6]N[6]HH)2{1|Cu<5>,2|H<1>,3|C<3>,4|C<4>}	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	120.6697	2.243	8	120.8536	4.630	32	120.8536	4.630	32	120.8536	4.630	32	121.0054	3.764	410	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6,6]	C[6a]	4:3:3:	3:3:4:4:	3:3:1:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[6,6]-3:C[6a]-3:C[6]-4:C[6]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6,6]C[6,6]C[6]2)(C[6a]C[6a]H)2	C[6,6](C[6,6]C[6,6]O)(C[6a]C[6a]2)(C[6]N[6]HH)2	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[6,6]C[6,6]C[6]2)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|O<1>,2|N<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]O)(C[6a]C[6a]2)(C[6]N[6]HH)2{1|Zn<5>,2|H<1>,3|C<3>,4|C<4>}	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	120.9495	1.773	4	120.8536	4.630	32	120.8536	4.630	32	120.8536	4.630	32	121.0054	3.764	410	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6,6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6,6]-4:C[6a]-3:C[6a]-3:	N[5,6,6]-3:C[3x6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6,6]N[5,6,6]C[3x6]H)(C[6a]C[6a]H)2	C[6,6](N[5,6,6]C[5,4x6]C[5])(C[3x6]C[6,6]2O)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[6,6]N[5,6,6]C[3x6]H)(C[6a]C[6a]H)2{1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6,6](N[5,6,6]C[5,4x6]C[5])(C[3x6]C[6,6]2O)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<1>,4|C<3>,5|H<1>}	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.9876	1.971	10	120.9876	3.883	10	120.9876	3.883	10	121.2060	4.152	21	121.0054	3.764	410	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6,6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6,6]-4:C[6a]-3:C[6a]-3:	N[6,6]-3:C[3x6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6,6]C[3x6]N[6,6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6,6](N[6,6]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[6,6]C[3x6]N[6,6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){2|C<4>,3|C<3>,3|H<1>}	C[6,6](N[6,6]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,2|C<4>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<2>}	126.2460	0.000	1	126.2460	0.000	1	121.4045	4.719	11	121.2060	4.152	21	121.0054	3.764	410	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6,6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6,6]-4:C[6a]-3:C[6a]-3:	N[6,6]-3:C[3x6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6,6]C[3x6]N[6,6]H)(C[6a]C[6a]H)2	C[6,6](N[6,6]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]Cl)(H)	C[6a](C[6,6]C[3x6]N[6,6]H)(C[6a]C[6a]H)2{1|Cl<1>,2|C<4>,2|H<1>,3|C<3>}	C[6,6](N[6,6]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]2)(H){1|O<1>,2|C<4>,4|C<3>,5|H<1>}	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]Cl)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	121.3080	0.000	1	121.3080	0.000	1	121.4045	4.719	11	121.2060	4.152	21	121.0054	3.764	410	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6,6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6,6]-4:C[6a]-3:C[6a]-3:	N[6,6]-3:C[3x6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6,6]C[3x6]N[6,6]H)(C[6a]C[6a]H)2	C[6,6](N[6,6]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[6,6]C[3x6]N[6,6]H)(C[6a]C[6a]H)2{1|Cl<1>,2|C<4>,2|H<1>,3|C<3>}	C[6,6](N[6,6]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]2)(H){1|O<1>,2|C<4>,4|C<3>,5|H<1>}	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	119.3430	0.000	1	120.8773	2.655	9	121.4045	4.719	11	121.2060	4.152	21	121.0054	3.764	410	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6,6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6,6]-4:C[6a]-3:C[6a]-3:	N[6,6]-3:C[3x6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6,6]C[3x6]N[6,6]H)(C[6a]C[6a]H)2	C[6,6](N[6,6]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[6,6]C[3x6]N[6,6]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	C[6,6](N[6,6]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]2)(H){1|C<4>,1|N<2>,5|C<3>,5|H<1>}	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.6000	2.584	2	120.8773	2.655	9	121.4045	4.719	11	121.2060	4.152	21	121.0054	3.764	410	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6,6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6,6]-4:C[6a]-3:C[6a]-3:	N[6,6]-3:C[3x6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6,6]C[3x6]N[6,6]H)(C[6a]C[6a]H)2	C[6,6](N[6,6]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[6,6]C[3x6]N[6,6]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	C[6,6](N[6,6]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]2)(H){1|C<4>,1|N<2>,5|C<3>,5|H<1>}	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	121.2690	2.236	2	120.8773	2.655	9	121.4045	4.719	11	121.2060	4.152	21	121.0054	3.764	410	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6,6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6,6]-4:C[6a]-3:C[6a]-3:	N[6,6]-3:C[3x6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6,6]C[3x6]N[6,6]H)(C[6a]C[6a]H)2	C[6,6](N[6,6]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[6,6]C[3x6]N[6,6]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	C[6,6](N[6,6]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]2)(H){1|C<4>,1|N<2>,5|C<3>,5|H<1>}	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	121.0390	2.032	2	120.8773	2.655	9	121.4045	4.719	11	121.2060	4.152	21	121.0054	3.764	410	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6,6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6,6]-4:C[6a]-3:C[6a]-3:	N[6,6]-3:C[3x6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6,6]C[3x6]N[6,6]H)(C[6a]C[6a]H)2	C[6,6](N[6,6]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[6,6]C[3x6]N[6,6]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	C[6,6](N[6,6]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,5|C<3>,5|H<1>}	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	121.3685	1.443	2	120.8773	2.655	9	121.4045	4.719	11	121.2060	4.152	21	121.0054	3.764	410	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6,6]	C[6a]	4:3:3:	3:4:3:1:	3:3:2:	C[6,6]-4:C[6a]-3:C[6a]-3:	N[6,6]-3:C[3x6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6,6]C[3x6]N[6,6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6,6](N[6,6]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(OC[6a])	C[6a](C[6,6]C[3x6]N[6,6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){2|C<4>,3|C<3>,3|H<1>}	C[6,6](N[6,6]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,2|C<4>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(OC[6a]){1|Br<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	115.8570	0.000	1	115.8570	0.000	1	115.8570	0.000	1	115.8570	0.000	1	121.0054	3.764	410	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6,6]	C[6a]	4:3:3:	3:4:3:2:	3:3:1:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[6,6]-4:C[6a]-3:O[6]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6,6]C[5a,6]C[6,6]O[6])(C[6a]C[6a]H)2	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]HH)(C[6a]C[6a]2)(O[6]C[6,6a])	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[6,6]C[5a,6]C[6,6]O[6])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]HH)(C[6a]C[6a]2)(O[6]C[6,6a]){1|C<4>,4|H<1>,6|C<3>}	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.3510	2.142	4	120.3510	4.590	4	120.3510	4.590	4	120.4537	3.639	6	121.0054	3.764	410	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6,6]	C[6a]	4:3:3:	3:4:3:2:	3:3:1:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[6,6]-3:C[6]-4:C[6a]-3:O[6]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6,6]C[6,6]C[6]O[6])(C[6a]C[6a]H)2	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]2)(O[6]C[6])	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[6,6]C[6,6]C[6]O[6])(C[6a]C[6a]H)2{1|C<4>,3|H<1>,5|C<3>}	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]2)(O[6]C[6]){1|N<3>,4|H<1>,6|C<3>}	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.6590	2.073	2	120.6590	4.298	2	120.6590	4.298	2	120.4537	3.639	6	121.0054	3.764	410	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6,6]	C[6a]	4:3:3:	3:4:3:3:	3:3:1:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[6,6]-3:C[6]-4:C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6,6]C[6,6]C[6]2)(C[6a]C[6a]H)2	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[5,6]HH)(C[6]C[6,6a]O)(C[6a]C[6a]2)	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[6,6]C[6,6]C[6]2)(C[6a]C[6a]H)2{1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[5,6]HH)(C[6]C[6,6a]O)(C[6a]C[6a]2){1|C<4>,4|H<1>,7|C<3>}	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	120.8390	3.082	2	120.8390	9.496	2	120.8390	9.496	2	120.8390	9.496	2	121.0054	3.764	410	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6,6]	C[6a]	4:3:3:	3:4:3:4:	3:3:1:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6a]-3:C[6]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6,6]C[6,6a]C[6,6]C[6])(C[6a]C[6a]H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CH)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[6,6]C[6,6a]C[6,6]C[6])(C[6a]C[6a]H)2{3|C<3>,3|C<4>,5|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CH)(C[6a]C[6a]2)(C[6]C[6]HH){1|C<4>,1|N<3>,4|C<3>,6|H<1>}	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	121.2135	2.706	2	121.2135	7.323	2	121.2135	7.323	2	121.2135	7.323	2	121.0054	3.764	410	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6,6]	C[6a]	4:3:3:	3:4:4:3:	3:3:1:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[6,6]-3:C[6]-4:C[6]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6,6]C[6,6]C[6]2)(C[6a]C[6a]H)2	C[6,6](C[6,6]C[5,6]N[6])(C[6]C[6,6a]HO)(C[6]C[5,6]HH)(C[6a]C[6a]2)	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[6,6]C[6,6]C[6]2)(C[6a]C[6a]H)2{1|N<2>,1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[5,6]N[6])(C[6]C[6,6a]HO)(C[6]C[5,6]HH)(C[6a]C[6a]2){2|C<4>,2|H<1>,3|O<2>,4|C<3>}	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	121.0390	2.724	2	121.0390	7.419	2	121.0390	7.419	2	121.0390	7.419	2	121.0054	3.764	410	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6,6]	C[6a]	4:3:3:	4:2:3:3:	3:3:1:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[6]-4:O[6,6]-2:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6,6]O[6,6]C[6]2)(C[6a]C[6a]H)2	C[6,6](C[6]C[6,6a]HH)(O[6,6]C[6,6])(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[6,6]O[6,6]C[6]2)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,5|H<1>}	C[6,6](C[6]C[6,6a]HH)(O[6,6]C[6,6])(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.8780	1.800	2	120.8780	3.241	2	120.8780	3.241	2	120.8780	3.241	2	121.0054	3.764	410	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6,6]	C[6a]	4:3:3:	4:3:2:2:	3:3:1:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6a]-3:O[6]-2:O[6]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6,6]C[6,6]O[6]2)(C[6a]C[6a]H)2	C[6,6](C[6,6]C[6,6]HH)(C[6a]C[6a]2)(O[6]C[6,6])2	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[6,6]C[6,6]O[6]2)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6a]C[6a]2)(O[6]C[6,6])2{2|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	121.0980	0.276	2	121.0980	0.076	2	120.6319	1.864	26	120.6319	1.864	26	121.0054	3.764	410	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6,6]	C[6a]	4:3:3:	4:3:2:2:	3:3:1:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6a]-3:O[6]-2:O[6]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6,6]C[6,6]O[6]2)(C[6a]C[6a]H)2	C[6,6](C[6,6]C[6,6]HH)(C[6a]C[6a]2)(O[6]C[6,6a])(O[6]C[6])	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[6,6]C[6,6]O[6]2)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6a]C[6a]2)(O[6]C[6,6a])(O[6]C[6]){1|C<4>,4|C<3>,5|H<1>}	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	120.6260	1.857	2	120.6260	3.448	2	120.6319	1.864	26	120.6319	1.864	26	121.0054	3.764	410	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6,6]	C[6a]	4:3:3:	4:3:2:2:	3:3:1:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6a]-3:O[6]-2:O[6]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6,6]C[6,6]O[6]2)(C[6a]C[6a]H)2	C[6,6](C[6,6]C[6,6]HH)(C[6a]C[6a]2)(O[6]C[6,6a])2	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[6,6]C[6,6]O[6]2)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6a]C[6a]2)(O[6]C[6,6a])2{1|C<4>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	120.6360	0.829	2	120.5749	1.692	16	120.6319	1.864	26	120.6319	1.864	26	121.0054	3.764	410	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6,6]	C[6a]	4:3:3:	4:3:2:2:	3:3:1:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6a]-3:O[6]-2:O[6]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6,6]C[6,6]O[6]2)(C[6a]C[6a]H)2	C[6,6](C[6,6]C[6,6]HH)(C[6a]C[6a]2)(O[6]C[6,6a])2	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[6,6]C[6,6]O[6]2)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6a]C[6a]2)(O[6]C[6,6a])2{3|H<1>,6|C<3>}	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	120.5661	1.378	14	120.5749	1.692	16	120.6319	1.864	26	120.6319	1.864	26	121.0054	3.764	410	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6,6]	C[6a]	4:3:3:	4:3:2:2:	3:3:1:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6a]-3:O[6]-2:O[6]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6,6]C[6,6]O[6]2)(C[6a]C[6a]H)2	C[6,6](C[6,6]C[6,6]HO)(C[6a]C[6a]2)(O[6]C[6,6a])2	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[6,6]C[6,6]O[6]2)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,2|O<2>,3|C<3>}	C[6,6](C[6,6]C[6,6]HO)(C[6a]C[6a]2)(O[6]C[6,6a])2{3|H<1>,6|C<3>}	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,3|O<2>}	121.1720	0.000	1	121.1720	0.000	1	120.6319	1.864	26	120.6319	1.864	26	121.0054	3.764	410	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6,6]	C[6a]	4:3:3:	4:3:2:2:	3:3:1:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6a]-3:O[6]-2:O[6]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6,6]C[6,6]O[6]2)(C[6a]C[6a]H)2	C[6,6](C[6,6]C[6,6]HO)(C[6a]C[6a]2)(O[6]C[6,6a])2	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]O)(H)	C[6a](C[6,6]C[6,6]O[6]2)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,2|O<2>,3|C<3>}	C[6,6](C[6,6]C[6,6]HO)(C[6a]C[6a]2)(O[6]C[6,6a])2{3|H<1>,6|C<3>}	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>,3|O<2>}	119.5840	0.000	1	119.5840	0.000	1	120.6319	1.864	26	120.6319	1.864	26	121.0054	3.764	410	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6,6]	C[6a]	4:3:3:	4:3:2:2:	3:3:1:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6a]-3:O[6]-2:O[6]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6,6]C[6,6]O[6]2)(C[6a]C[6a]H)2	C[6,6](C[6,6]C[6a]O[6]2)(C[6a]C[6a]2)(O[6]C[6,6a])(O[6]C[6])	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[6,6]C[6,6]O[6]2)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,2|O<2>,3|C<3>}	C[6,6](C[6,6]C[6a]O[6]2)(C[6a]C[6a]2)(O[6]C[6,6a])(O[6]C[6]){1|C<4>,4|H<1>,6|C<3>}	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	120.7570	2.291	4	120.7570	5.251	4	120.6319	1.864	26	120.6319	1.864	26	121.0054	3.764	410	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6,6]	C[6a]	4:3:3:	4:3:2:3:	3:3:1:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6a]-3:O[6]-2:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6,6]C[6,6]N[6]O[6])(C[6a]C[6a]H)2	C[6,6](C[6,6]C[6,6]CH)(C[6a]C[6a]2)(O[6]C[6,6a])(N[6]C[6]S)	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[6,6]C[6,6]N[6]O[6])(C[6a]C[6a]H)2{1|S<4>,2|C<4>,3|C<3>,3|H<1>}	C[6,6](C[6,6]C[6,6]CH)(C[6a]C[6a]2)(O[6]C[6,6a])(N[6]C[6]S){4|H<1>,5|C<3>}	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	120.6450	1.684	2	120.6450	2.837	2	120.6450	2.837	2	120.6450	2.837	2	121.0054	3.764	410	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6,6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[3x6]-4:N[3x6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6,6]C[3x6]N[3x6]H)(C[6a]C[6a]H)2	C[6,6](C[3x6]C[4x6]C[6]H)(N[3x6]C[6,6]2)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[6,6]C[3x6]N[3x6]H)(C[6a]C[6a]H)2{1|C<3>,3|H<1>,4|C<4>}	C[6,6](C[3x6]C[4x6]C[6]H)(N[3x6]C[6,6]2)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<2>,4|C<3>,7|H<1>}	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|F<1>,1|N<3>,2|H<1>}	121.2535	2.083	4	121.2535	4.339	4	121.0215	5.265	24	120.8410	4.306	46	121.0054	3.764	410	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6,6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[3x6]-4:N[3x6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6,6]C[3x6]N[3x6]H)(C[6a]C[6a]H)2	C[6,6](C[3x6]C[6,6]2H)(N[3x6]C[6,6]2)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[6,6]C[3x6]N[3x6]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[6,6]2H)(N[3x6]C[6,6]2)(C[6a]C[6a]2)(H){1|O<1>,2|C<4>,3|C<3>,7|H<1>}	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	121.1895	1.742	2	121.0136	6.311	18	121.0215	5.265	24	120.8410	4.306	46	121.0054	3.764	410	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6,6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[3x6]-4:N[3x6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6,6]C[3x6]N[3x6]H)(C[6a]C[6a]H)2	C[6,6](C[3x6]C[6,6]2H)(N[3x6]C[6,6]2)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[6,6]C[3x6]N[3x6]H)(C[6a]C[6a]H)2{2|C<3>,3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(N[3x6]C[6,6]2)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<1>,4|C<3>,6|H<1>}	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|F<1>,1|N<3>,2|H<1>}	120.9160	2.578	8	121.0136	6.311	18	121.0215	5.265	24	120.8410	4.306	46	121.0054	3.764	410	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6,6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[3x6]-4:N[3x6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6,6]C[3x6]N[3x6]H)(C[6a]C[6a]H)2	C[6,6](C[3x6]C[6,6]2H)(N[3x6]C[6,6]2)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[6,6]C[3x6]N[3x6]H)(C[6a]C[6a]H)2{2|C<3>,3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(N[3x6]C[6,6]2)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<1>,4|C<3>,6|H<1>}	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	121.0671	2.868	8	121.0136	6.311	18	121.0215	5.265	24	120.8410	4.306	46	121.0054	3.764	410	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6,6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[3x6]-4:N[3x6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6,6]C[3x6]N[3x6]H)(C[6a]C[6a]H)2	C[6,6](C[3x6]C[6,6]2H)(N[3x6]C[6,6]2)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]N)(H)	C[6a](C[6,6]C[3x6]N[3x6]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[6,6]2H)(N[3x6]C[6,6]2)(C[6a]C[6a]2)(H){1|O<1>,2|C<4>,3|C<3>,7|H<1>}	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.6285	0.510	2	120.6285	0.260	2	121.0215	5.265	24	120.8410	4.306	46	121.0054	3.764	410	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6,6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[3x6]-4:N[5,6,6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6,6]N[5,6,6]C[3x6]H)(C[6a]C[6a]H)2	C[6,6](C[3x6]C[5,6,6]C[6,6]O)(N[5,6,6]C[5,4x6]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[6,6]N[5,6,6]C[3x6]H)(C[6a]C[6a]H)2{1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[5,6,6]C[6,6]O)(N[5,6,6]C[5,4x6]C[5])(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|C<3>,5|H<1>}	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.9235	3.408	2	120.9235	11.611	2	120.9235	11.611	2	120.8410	4.306	46	121.0054	3.764	410	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6,6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[3x6]-4:N[6,6]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[6a](C[6,6]C[3x6]N[6,6]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(N[6,6]C[3x6]C)(C[6a]C[6a]2)(H)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6,6]C[6a])(H)	C[6a](C[6,6]C[3x6]N[6,6]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(N[6,6]C[3x6]C)(C[6a]C[6a]2)(H){2|C<4>,4|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6,6]C[6a])(H){1|C<3>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	118.3690	0.000	1	118.3690	0.000	1	118.1885	0.065	2	120.8410	4.306	46	121.0054	3.764	410	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6,6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[3x6]-4:N[6,6]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[6a](C[6,6]C[3x6]N[6,6]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H)	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C)(C[6a]C[6a]2)(H)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6,6]C[6a])(H)	C[6a](C[6,6]C[3x6]N[6,6]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C)(C[6a]C[6a]2)(H){1|C<2>,2|C<4>,3|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6,6]C[6a])(H){1|C<3>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	118.0080	0.000	1	118.0080	0.000	1	118.1885	0.065	2	120.8410	4.306	46	121.0054	3.764	410	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6,6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[3x6]-4:N[6,6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6,6]C[3x6]N[6,6]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(N[6,6]C[3x6]C)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[5,6a]H)(H)	C[6a](C[6,6]C[3x6]N[6,6]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(N[6,6]C[3x6]C)(C[6a]C[6a]2)(H){2|C<4>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[5,6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	121.5620	0.000	1	121.5620	0.000	1	121.0298	2.056	8	120.8410	4.306	46	121.0054	3.764	410	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6,6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[3x6]-4:N[6,6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6,6]C[3x6]N[6,6]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H)	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[5,6a]H)(H)	C[6a](C[6,6]C[3x6]N[6,6]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C)(C[6a]C[6a]2)(H){1|C<2>,2|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[5,6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	121.8400	0.000	1	121.8400	0.000	1	121.0298	2.056	8	120.8410	4.306	46	121.0054	3.764	410	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6,6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[3x6]-4:N[6,6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6,6]C[3x6]N[6,6]H)(C[6a]C[6a]H)2	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(N[6,6]C[3x6]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[6,6]C[3x6]N[6,6]H)(C[6a]C[6a]H)2{2|H<1>,3|C<3>,3|C<4>}	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(N[6,6]C[3x6]C[6a])(C[6a]C[6a]2)(H){1|C<4>,5|H<1>,6|C<3>}	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|N<3>}	120.6920	1.407	2	120.6920	1.980	2	121.0298	2.056	8	120.8410	4.306	46	121.0054	3.764	410	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6,6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[3x6]-4:N[6,6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6,6]C[3x6]N[6,6]H)(C[6a]C[6a]H)2	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[6,6]C[3x6]N[6,6]H)(C[6a]C[6a]H)2{2|C<3>,3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C)(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,3|C<3>,5|H<1>}	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.9335	1.657	2	120.9335	2.745	2	121.0298	2.056	8	120.8410	4.306	46	121.0054	3.764	410	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6,6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[3x6]-4:N[6,6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6,6]C[3x6]N[6,6]H)(C[6a]C[6a]H)2	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]S)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[6,6]C[3x6]N[6,6]H)(C[6a]C[6a]H)2{1|S<4>,2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]S)(C[6a]C[6a]2)(H){1|C<4>,3|C<3>,6|H<1>}	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.7925	2.893	2	120.7925	8.368	2	121.0298	2.056	8	120.8410	4.306	46	121.0054	3.764	410	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6,6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[4,6,6]-4:N[6,6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6,6]C[4,6,6]N[6,6]H)(C[6a]C[6a]H)2	C[6,6](C[4,6,6]C[4,6]2C)(N[6,6]C[6,6]S)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[6,6]C[4,6,6]N[6,6]H)(C[6a]C[6a]H)2{1|S<4>,2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[4,6,6]C[4,6]2C)(N[6,6]C[6,6]S)(C[6a]C[6a]2)(H){1|C<4>,1|N<2>,3|C<3>,5|H<1>}	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.3850	1.560	2	120.3850	2.433	2	120.3850	2.433	2	120.8410	4.306	46	121.0054	3.764	410	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6,6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[4x6]-4:C[3x6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6,6]C[3x6]C[4x6]H)(C[6a]C[6a]H)2	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[3x6]C[4x6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[6,6]C[3x6]C[4x6]H)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,4|C<3>}	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[3x6]C[4x6]C[6])(C[6a]C[6a]2)(H){1|O<2>,3|C<4>,5|C<3>,5|H<1>}	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	121.1378	2.291	4	121.1378	5.247	4	121.1378	5.247	4	120.8410	4.306	46	121.0054	3.764	410	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6,6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6a]-3:N[6,6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6,6]C[6,6]N[6,6]H)(C[6a]C[6a]H)2	C[6,6](C[6,6]C[6]O[6]H)(C[6a]C[6a]2)(N[6,6]C[6]2)(H)	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[6,6]C[6,6]N[6,6]H)(C[6a]C[6a]H)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6a]C[6a]2)(N[6,6]C[6]2)(H){1|N<3>,3|C<3>,7|H<1>}	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.6855	2.864	2	120.6855	8.205	2	120.6855	8.205	2	120.8410	4.306	46	121.0054	3.764	410	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6,6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:N[6,6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6,6]C[6,6]N[6,6]H)(C[6a]C[6a]H)2	C[6,6](C[6,6]C[6,6]S[6]H)(N[6,6]C[6,6a]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[6,6]C[6,6]N[6,6]H)(C[6a]C[6a]H)2{1|S<2>,3|H<1>,4|C<3>}	C[6,6](C[6,6]C[6,6]S[6]H)(N[6,6]C[6,6a]C[6])(C[6a]C[6a]2)(H){1|O<1>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	120.5090	2.015	2	120.5090	4.061	2	120.5090	4.061	2	120.8410	4.306	46	121.0054	3.764	410	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6,6]	C[6a]	4:3:3:	4:3:3:2:	3:3:1:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[3x6]-4:C[6a]-3:N[6]-3:O[6]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6,6]C[3x6]N[6]O[6])(C[6a]C[6a]H)2	C[6,6](C[3x6]C[6,6,6a]2C[6a])(C[6a]C[6a]2)(N[6]C[6,6]H)(O[6]C[5,6])	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[6,6]C[3x6]N[6]O[6])(C[6a]C[6a]H)2{2|C<4>,3|H<1>,4|C<3>}	C[6,6](C[3x6]C[6,6,6a]2C[6a])(C[6a]C[6a]2)(N[6]C[6,6]H)(O[6]C[5,6]){11|C<3>,3|H<1>}	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	120.8830	5.244	2	120.8830	27.499	2	120.8830	27.499	2	120.4706	5.432	18	121.0054	3.764	410	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6,6]	C[6a]	4:3:3:	4:3:3:2:	3:3:1:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6a]-3:C[6]-3:O[6]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6,6]C[6,6]C[6]O[6])(C[6a]C[6a]H)2	C[6,6](C[6,6]C[6]O[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(O[6]C[6])	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[6,6]C[6,6]C[6]O[6])(C[6a]C[6a]H)2{1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(O[6]C[6]){1|C<4>,3|C<3>,7|H<1>}	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,1|H<1>,1|O<2>,2|C<3>}	121.4860	2.739	2	121.4860	7.504	2	121.4860	7.504	2	120.4706	5.432	18	121.0054	3.764	410	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6,6]	C[6a]	4:3:3:	4:3:3:2:	3:3:1:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6a]-3:N[6]-3:O[6]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6,6]C[6,6]N[6]O[6])(C[6a]C[6a]H)2	C[6,6](C[6,6]C[6,6]HH)(C[6a]C[6a]2)(N[6]C[6,6]H)(O[6]C[6,6a])	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[6,6]C[6,6]N[6]O[6])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,5|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6a]C[6a]2)(N[6]C[6,6]H)(O[6]C[6,6a]){1|C<4>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	120.6785	0.479	4	120.6785	0.230	4	120.6785	0.230	4	120.4706	5.432	18	121.0054	3.764	410	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6,6]	C[6a]	4:3:3:	4:3:3:2:	3:3:1:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:N[6]-3:C[6a]-3:O[6]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6,6]C[6,6]N[6]O[6])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6,6](C[6,6]C[6,6]CC)(N[6]C[6,6a]C)(C[6a]C[6a]2)(O[6]C[6,6a])	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[6,6]C[6,6]N[6]O[6])(C[6a]C[6a]H)(C[6a]C[6a]N){2|H<1>,3|C<3>,4|C<4>}	C[6,6](C[6,6]C[6,6]CC)(N[6]C[6,6a]C)(C[6a]C[6a]2)(O[6]C[6,6a]){1|N<3>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>,2|N<3>}	117.1110	0.000	1	117.1110	0.000	1	119.4942	8.845	6	120.4706	5.432	18	121.0054	3.764	410	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6,6]	C[6a]	4:3:3:	4:3:3:2:	3:3:1:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:N[6]-3:C[6a]-3:O[6]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6,6]C[6,6]N[6]O[6])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6,6](C[6,6]C[6,6]CC)(N[6]C[6,6a]H)(C[6a]C[6a]2)(O[6]C[6,6a])	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[6,6]C[6,6]N[6]O[6])(C[6a]C[6a]H)(C[6a]C[6a]N){3|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]CC)(N[6]C[6,6a]H)(C[6a]C[6a]2)(O[6]C[6,6a]){1|N<3>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>,2|N<3>}	117.2200	0.000	1	117.2200	0.000	1	119.4942	8.845	6	120.4706	5.432	18	121.0054	3.764	410	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6,6]	C[6a]	4:3:3:	4:3:3:2:	3:3:1:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:N[6]-3:C[6a]-3:O[6]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6,6]C[6,6]N[6]O[6])(C[6a]C[6a]H)2	C[6,6](C[6,6]C[6,6]HH)(N[6]C[6,6a]C)(C[6a]C[6a]2)(O[6]C[6,6a])	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[6,6]C[6,6]N[6]O[6])(C[6a]C[6a]H)2{2|C<4>,3|C<3>,4|H<1>}	C[6,6](C[6,6]C[6,6]HH)(N[6]C[6,6a]C)(C[6a]C[6a]2)(O[6]C[6,6a]){3|H<1>,6|C<3>}	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	120.6585	3.052	4	120.6585	9.317	4	119.4942	8.845	6	120.4706	5.432	18	121.0054	3.764	410	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6,6]	C[6a]	4:3:3:	4:3:3:2:	3:3:1:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:N[6,6]-3:O[6]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6,6]N[6,6]C[6]O[6])(C[6a]C[6a]H)2	C[6,6](C[6]N[6,6]HH)(C[6a]C[6a]2)(N[6,6]C[6]2)(O[6]C[6])	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[6,6]N[6,6]C[6]O[6])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[6,6](C[6]N[6,6]HH)(C[6a]C[6a]2)(N[6,6]C[6]2)(O[6]C[6]){1|C<4>,1|O<1>,4|H<1>,5|C<3>}	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|O<2>}	121.0132	0.993	4	121.0132	0.986	4	121.0132	0.986	4	120.4706	5.432	18	121.0054	3.764	410	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6,6]	C[6a]	4:3:3:	4:3:3:2:	3:3:3:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:N[6]-3:C[6a]-3:O[6]-2:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6,6]C[6,6]N[6]O[6])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6,6](C[6,6]C[6,6]CC)(N[6]C[6,6a]C)(C[6a]C[6a]2)(O[6]C[6,6a])	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(NOO)	C[6a](C[6,6]C[6,6]N[6]O[6])(C[6a]C[6a]H)(C[6a]C[6a]N){2|H<1>,3|C<3>,4|C<4>}	C[6,6](C[6,6]C[6,6]CC)(N[6]C[6,6a]C)(C[6a]C[6a]2)(O[6]C[6,6a]){1|N<3>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(NOO){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	127.4370	0.000	1	127.4370	0.000	1	127.1700	0.143	2	127.1700	0.143	2	121.0054	3.764	410	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6,6]	C[6a]	4:3:3:	4:3:3:2:	3:3:3:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:N[6]-3:C[6a]-3:O[6]-2:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6,6]C[6,6]N[6]O[6])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6,6](C[6,6]C[6,6]CC)(N[6]C[6,6a]H)(C[6a]C[6a]2)(O[6]C[6,6a])	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(NOO)	C[6a](C[6,6]C[6,6]N[6]O[6])(C[6a]C[6a]H)(C[6a]C[6a]N){3|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]CC)(N[6]C[6,6a]H)(C[6a]C[6a]2)(O[6]C[6,6a]){1|N<3>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(NOO){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	126.9030	0.000	1	126.9030	0.000	1	127.1700	0.143	2	127.1700	0.143	2	121.0054	3.764	410	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6,6]	C[6a]	4:3:3:	4:3:3:3:	3:3:1:	C[6,6]-4:C[6a]-3:C[6a]-3:	B[6,6,6a]-4:C[6,6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6,6]B[6,6,6a]C[6,6]C[6a])(C[6a]C[6a]H)2	C[6,6](B[6,6,6a]C[5a,6,6a]N[5a,6,6a]C[6a])(C[6,6]B[6,6,6a]C)(C[6a]C[6a]2)2	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[6,6]B[6,6,6a]C[6,6]C[6a])(C[6a]C[6a]H)2{1|B<4>,1|N<3>,2|H<1>,6|C<3>}	C[6,6](B[6,6,6a]C[5a,6,6a]N[5a,6,6a]C[6a])(C[6,6]B[6,6,6a]C)(C[6a]C[6a]2)2{2|N<3>,4|H<1>,9|C<3>}	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H){1|B<4>,2|H<1>,3|C<3>}	121.7541	1.971	8	121.7541	3.886	8	121.7541	3.886	8	121.2527	2.227	24	121.0054	3.764	410	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6,6]	C[6a]	4:3:3:	4:3:3:3:	3:3:1:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6a]-3:C[6]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6,6]C[6,6]C[6]2)(C[6a]C[6a]H)2	C[6,6](C[6,6]C[3,6,6]C[6a]O)(C[6a]C[6a]2)(C[6]C[6]H)2	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[6,6]C[6,6]C[6]2)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,4|C<3>,4|H<1>}	C[6,6](C[6,6]C[3,6,6]C[6a]O)(C[6a]C[6a]2)(C[6]C[6]H)2{2|C<4>,4|C<3>,5|H<1>}	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H){1|C<4>,1|F<1>,1|H<1>,3|C<3>}	121.1059	0.383	8	121.0501	0.138	10	121.0765	0.118	12	121.2527	2.227	24	121.0054	3.764	410	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6,6]	C[6a]	4:3:3:	4:3:3:3:	3:3:1:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6a]-3:C[6]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6,6]C[6,6]C[6]2)(C[6a]C[6a]H)2	C[6,6](C[6,6]C[3,6,6]C[6a]O)(C[6a]C[6a]2)(C[6]C[6]H)2	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[6,6]C[6,6]C[6]2)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,4|C<3>,4|H<1>}	C[6,6](C[6,6]C[3,6,6]C[6a]O)(C[6a]C[6a]2)(C[6]C[6]H)2{2|C<4>,4|C<3>,5|H<1>}	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	120.8270	0.303	2	121.0501	0.138	10	121.0765	0.118	12	121.2527	2.227	24	121.0054	3.764	410	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6,6]	C[6a]	4:3:3:	4:3:3:3:	3:3:1:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6a]-3:C[6]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6,6]C[6,6]C[6]2)(C[6a]C[6a]H)2	C[6,6](C[6,6]C[6,6a]2O)(C[6a]C[6a]2)(C[6]C[6]H)2	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[6,6]C[6,6]C[6]2)(C[6a]C[6a]H)2{1|O<2>,4|H<1>,5|C<3>}	C[6,6](C[6,6]C[6,6a]2O)(C[6a]C[6a]2)(C[6]C[6]H)2{4|H<1>,6|C<3>}	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	121.2085	0.120	2	121.2085	0.014	2	121.0765	0.118	12	121.2527	2.227	24	121.0054	3.764	410	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6,6]	C[6a]	4:3:3:	4:3:3:3:	3:3:1:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6a]-3:C[6]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6,6]C[6,6]C[6]N[6])(C[6a]C[6a]H)2	C[6,6](C[6,6]C[6]N[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]S)	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[6,6]C[6,6]C[6]N[6])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|S<4>,3|C<3>,4|H<1>}	C[6,6](C[6,6]C[6]N[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]S){1|N<2>,5|C<3>,5|H<1>}	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H){1|C<4>,1|F<1>,1|H<1>,1|N<3>,2|C<3>}	120.5995	3.938	2	120.5995	15.507	2	120.5995	15.507	2	121.2527	2.227	24	121.0054	3.764	410	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6,6]	C[6a]	4:3:3:	4:3:3:3:	3:3:1:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6a]-3:N[6]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6,6]C[6,6]N[6]2)(C[6a]C[6a]H)2	C[6,6](C[6,6]C[6]2H)(C[6a]C[6a]2)(N[6]C[6]H)2	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[6,6]C[6,6]N[6]2)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6a]C[6a]2)(N[6]C[6]H)2{2|N<3>,2|O<1>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|N<3>}	120.9580	1.950	2	120.9580	3.803	2	120.9580	3.803	2	121.2527	2.227	24	121.0054	3.764	410	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6,6]	C[6a]	4:3:3:	4:3:3:4:	3:3:1:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[3x6]-4:C[6,6]-3:C[6a]-3:P[6]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6,6]C[3x6]C[6,6]P[6])(C[6a]C[6a]H)2	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]C)(C[6a]C[6a]2)(P[6]O[6]2O)	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[6,6]C[3x6]C[6,6]P[6])(C[6a]C[6a]H)2{1|C<4>,1|O<1>,2|O<2>,3|H<1>,4|C<3>}	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]C)(C[6a]C[6a]2)(P[6]O[6]2O){2|C<4>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H){1|C<4>,1|P<4>,2|C<3>,2|H<1>}	121.1955	2.046	2	121.1955	4.185	2	121.1955	4.185	2	121.1955	4.185	2	121.0054	3.764	410	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6,6]	C[6a]	4:3:3:	4:3:4:2:	3:3:1:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[5,3x6]-4:C[6a]-3:C[6]-4:O[6]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6,6]C[5,3x6]C[6]O[6])(C[6a]C[6a]H)2	C[6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[6a]C[6a]2)(C[6]O[6]HH)(O[6]C[6])	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[6,6]C[5,3x6]C[6]O[6])(C[6a]C[6a]H)2{2|C<3>,2|O<2>,3|C<4>,3|H<1>}	C[6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[6a]C[6a]2)(C[6]O[6]HH)(O[6]C[6]){1|O<2>,3|C<3>,3|C<4>,7|H<1>}	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	121.0430	0.000	1	121.0430	0.000	1	120.5805	0.428	2	120.6705	2.278	6	121.0054	3.764	410	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6,6]	C[6a]	4:3:3:	4:3:4:2:	3:3:1:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[5,3x6]-4:C[6a]-3:C[6]-4:O[6]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6,6]C[5,3x6]C[6]O[6])(C[6a]C[6a]H)2	C[6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[6a]C[6a]2)(C[6]O[6]HH)(O[6]C[6])	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]O)(H)	C[6a](C[6,6]C[5,3x6]C[6]O[6])(C[6a]C[6a]H)2{2|C<3>,2|O<2>,3|C<4>,3|H<1>}	C[6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[6a]C[6a]2)(C[6]O[6]HH)(O[6]C[6]){1|O<2>,3|C<3>,3|C<4>,7|H<1>}	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]O)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	120.1180	0.000	1	120.1180	0.000	1	120.5805	0.428	2	120.6705	2.278	6	121.0054	3.764	410	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6,6]	C[6a]	4:3:3:	4:3:4:2:	3:3:1:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6a]-3:C[6]-4:O[6]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6,6]C[6,6]C[6]O[6])(C[6a]C[6a]H)2	C[6,6](C[6,6]C[6,6]BrH)(C[6a]C[6a]2)(C[6]N[6]HH)(O[6]C[6])	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[6,6]C[6,6]C[6]O[6])(C[6a]C[6a]H)2{1|Br<1>,1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]BrH)(C[6a]C[6a]2)(C[6]N[6]HH)(O[6]C[6]){1|S<4>,2|C<3>,3|C<4>,4|H<1>}	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	120.8320	3.291	2	120.8320	10.830	2	120.7155	3.646	4	120.6705	2.278	6	121.0054	3.764	410	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6,6]	C[6a]	4:3:3:	4:3:4:2:	3:3:1:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6a]-3:C[6]-4:O[6]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6,6]C[6,6]C[6]O[6])(C[6a]C[6a]H)2	C[6,6](C[6,6]C[6]2H)(C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[6,6]C[6,6]C[6]O[6])(C[6a]C[6a]H)2{1|C<3>,4|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6]){1|C<4>,4|C<3>,9|H<1>}	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	120.5990	0.231	2	120.5990	0.053	2	120.7155	3.646	4	120.6705	2.278	6	121.0054	3.764	410	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6,6]	C[6a]	4:3:3:	4:3:4:3:	3:3:1:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6a]-3:C[6]-4:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6,6]C[6,6]C[6]2)(C[6a]C[6a]H)2	C[6,6](C[6,6]C[6]2H)(C[6a]C[6a]2)(C[6]C[6]CH)(C[6]N[6]O)	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[6,6]C[6,6]C[6]2)(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6a]C[6a]2)(C[6]C[6]CH)(C[6]N[6]O){2|C<4>,3|C<3>,7|H<1>}	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	121.0200	2.505	2	121.0200	6.273	2	120.6825	3.266	4	120.6825	3.266	4	121.0054	3.764	410	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6,6]	C[6a]	4:3:3:	4:3:4:3:	3:3:1:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6a]-3:C[6]-4:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6,6]C[6,6]C[6]2)(C[6a]C[6a]H)2	C[6,6](C[6,6]C[6]2H)(C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]O)	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[6,6]C[6,6]C[6]2)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|O<1>,3|C<3>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]O){1|N<3>,2|O<1>,3|C<3>,5|H<1>}	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	120.3450	1.752	2	120.3450	3.070	2	120.6825	3.266	4	120.6825	3.266	4	121.0054	3.764	410	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6,6]	C[6a]	4:3:3:	4:3:4:4:	3:3:1:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6a]-3:C[6]-4:C[6]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6,6]C[6,6]C[6]2)(C[6a]C[6a]H)2	C[6,6](C[6,6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]HH)	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[6,6]C[6,6]C[6]2)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,2|C<4>,8|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]HH){1|C<4>,1|N<3>,2|C<3>,6|H<1>}	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	121.9015	0.165	2	121.9015	0.027	2	121.9015	0.027	2	121.9015	0.027	2	121.0054	3.764	410	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6,6]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[6,6]-4:C[6a]-3:C[6a]-3:	B[6,6,6a]-4:C[6,6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6,6]B[6,6,6a]C[6,6]H)(C[6a]C[6a]H)2	C[6,6](B[6,6,6a]C[5,6,6a]2C[6a])(C[6,6]B[6,6,6a]HH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[6,6]B[6,6,6a]C[6,6]H)(C[6a]C[6a]H)2{1|B<4>,4|C<3>,4|H<1>}	C[6,6](B[6,6,6a]C[5,6,6a]2C[6a])(C[6,6]B[6,6,6a]HH)(C[6a]C[6a]2)(H){2|H<1>,2|N<3>,2|O<2>,5|C<3>}	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,2|C<4>,2|H<1>}	121.8140	1.054	2	121.6900	0.534	4	121.6258	0.388	6	121.0457	4.545	106	121.0054	3.764	410	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6,6]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[6,6]-4:C[6a]-3:C[6a]-3:	B[6,6,6a]-4:C[6,6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6,6]B[6,6,6a]C[6,6]H)(C[6a]C[6a]H)2	C[6,6](B[6,6,6a]C[5,6,6a]2C[6a])(C[6,6]B[6,6,6a]HH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[6,6]B[6,6,6a]C[6,6]H)(C[6a]C[6a]H)2{1|B<4>,4|C<3>,4|H<1>}	C[6,6](B[6,6,6a]C[5,6,6a]2C[6a])(C[6,6]B[6,6,6a]HH)(C[6a]C[6a]2)(H){2|H<1>,2|N<3>,2|O<2>,5|C<3>}	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H){1|Br<1>,1|B<4>,1|C<3>,1|C<4>,2|H<1>}	121.5660	0.656	2	121.6900	0.534	4	121.6258	0.388	6	121.0457	4.545	106	121.0054	3.764	410	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6,6]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[6,6]-4:C[6a]-3:C[6a]-3:	B[6,6,6a]-4:C[6,6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6,6]B[6,6,6a]C[6,6]H)(C[6a]C[6a]H)2	C[6,6](B[6,6,6a]C[5a,6,6a]N[5a,6,6a]C[6a])(C[6,6]B[6,6,6a]HH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[6,6]B[6,6,6a]C[6,6]H)(C[6a]C[6a]H)2{1|B<4>,1|N<3>,3|C<3>,4|H<1>}	C[6,6](B[6,6,6a]C[5a,6,6a]N[5a,6,6a]C[6a])(C[6,6]B[6,6,6a]HH)(C[6a]C[6a]2)(H){2|H<1>,2|N<3>,7|C<3>}	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|C<4>,3|H<1>}	121.4975	0.537	2	121.4975	0.288	2	121.6258	0.388	6	121.0457	4.545	106	121.0054	3.764	410	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6,6]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[3x6]-4:C[3x6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6,6]C[3x6]2H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6,6](C[3x6]C[4x6]C[6]H)(C[3x6]C[6,6]2H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[6,6]C[3x6]2H)(C[6a]C[6a]C)(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	C[6,6](C[3x6]C[4x6]C[6]H)(C[3x6]C[6,6]2H)(C[6a]C[6a]2)(H){2|C<4>,2|N<3>,2|O<1>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	120.0905	0.291	2	120.0905	0.084	2	120.8802	14.064	6	121.0457	4.545	106	121.0054	3.764	410	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6,6]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[3x6]-4:C[3x6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6,6]C[3x6]2H)(C[6a]C[6a]H)2	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]Cl)(H)	C[6a](C[6,6]C[3x6]2H)(C[6a]C[6a]H)2{1|Cl<1>,2|C<3>,2|H<1>,4|C<4>}	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(C[6a]C[6a]2)(H){10|H<1>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]Cl)(H){1|C<3>,2|C<4>,3|H<1>}	117.1525	0.405	2	117.1525	0.164	2	120.8802	14.064	6	121.0457	4.545	106	121.0054	3.764	410	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6,6]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[3x6]-4:C[3x6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6,6]C[3x6]2H)(C[6a]C[6a]H)2	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[6,6]C[3x6]2H)(C[6a]C[6a]H)2{1|Cl<1>,2|C<3>,2|H<1>,4|C<4>}	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(C[6a]C[6a]2)(H){10|H<1>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	125.3975	0.472	2	125.3975	0.222	2	120.8802	14.064	6	121.0457	4.545	106	121.0054	3.764	410	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6,6]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[3x6]-4:C[6,6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:Br-1:	C[6a](C[6,6]C[3x6]C[6,6]H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(Br)	C[6a](C[6,6]C[3x6]C[6,6]H)(C[6a]C[6a]Br)(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(C[6a]C[6a]2)(H){1|Br<1>,1|H<1>,1|O<1>,3|C<4>,4|C<3>}	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(Br){1|C<3>,2|C<4>,3|H<1>}	120.7640	0.000	1	120.7640	0.000	1	120.7640	0.000	1	121.0457	4.545	106	121.0054	3.764	410	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6,6]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[3x6]-4:C[6,6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6,6]C[3x6]C[6,6]H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[6,6]C[3x6]C[6,6]H)(C[6a]C[6a]Br)(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(C[6a]C[6a]2)(H){1|Br<1>,1|H<1>,1|O<1>,3|C<4>,4|C<3>}	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	123.6670	0.000	1	123.6670	0.000	1	120.9922	3.606	43	121.0457	4.545	106	121.0054	3.764	410	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6,6]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[3x6]-4:C[6,6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6,6]C[3x6]C[6,6]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]C)(C[6,6]C[3x6]HH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[6,6]C[3x6]C[6,6]H)(C[6a]C[6a]C)(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]C)(C[6,6]C[3x6]HH)(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	120.2277	0.361	3	120.2277	0.130	3	120.9922	3.606	43	121.0457	4.545	106	121.0054	3.764	410	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6,6]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[3x6]-4:C[6,6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6,6]C[3x6]C[6,6]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CC)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[6,6]C[3x6]C[6,6]H)(C[6a]C[6a]C)(C[6a]C[6a]H){2|C<2>,2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CC)(C[6a]C[6a]2)(H){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	120.3230	0.000	1	120.3230	0.000	1	120.9922	3.606	43	121.0457	4.545	106	121.0054	3.764	410	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6,6]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[3x6]-4:C[6,6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6,6]C[3x6]C[6,6]H)(C[6a]C[6a]H)2	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]CH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6]C[6a])(C[6a]N[6a]H)(H)	C[6a](C[6,6]C[3x6]C[6,6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<2>,3|C<3>,4|H<1>}	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]CH)(C[6a]C[6a]2)(H){3|H<1>,6|C<3>}	C[6a](C[6a]C[6,6]C[6a])(C[6a]N[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	121.8885	3.239	2	121.8885	10.493	2	120.9922	3.606	43	121.0457	4.545	106	121.0054	3.764	410	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6,6]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[3x6]-4:C[6,6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6,6]C[3x6]C[6,6]H)(C[6a]C[6a]H)2	C[6,6](C[3x6]C[6,6,6a]C[3x6]C)(C[6,6]C[3x6]HH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[6,6]C[3x6]C[6,6]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,4|H<1>}	C[6,6](C[3x6]C[6,6,6a]C[3x6]C)(C[6,6]C[3x6]HH)(C[6a]C[6a]2)(H){1|C<4>,4|H<1>,5|C<3>}	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.1350	1.983	2	121.1350	3.931	2	120.9922	3.606	43	121.0457	4.545	106	121.0054	3.764	410	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6,6]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[3x6]-4:C[6,6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6,6]C[3x6]C[6,6]H)(C[6a]C[6a]H)2	C[6,6](C[3x6]C[6,6,6a]C[6,6]C)(C[6,6]C[3x6]CH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[6,6]C[3x6]C[6,6]H)(C[6a]C[6a]H)2{3|C<3>,3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]C)(C[6,6]C[3x6]CH)(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.9380	1.653	2	120.9380	2.733	2	120.9922	3.606	43	121.0457	4.545	106	121.0054	3.764	410	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6,6]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[3x6]-4:C[6,6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6,6]C[3x6]C[6,6]H)(C[6a]C[6a]H)2	C[6,6](C[3x6]C[6,6,6a]C[6,6]C)(C[6,6]C[3x6]HH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[6,6]C[3x6]C[6,6]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,4|H<1>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]C)(C[6,6]C[3x6]HH)(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.1470	1.662	2	121.1470	2.761	2	120.9922	3.606	43	121.0457	4.545	106	121.0054	3.764	410	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6,6]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[3x6]-4:C[6,6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6,6]C[3x6]C[6,6]H)(C[6a]C[6a]H)2	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[6,6]C[3x6]C[6,6]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,4|H<1>}	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(C[6a]C[6a]2)(H){1|C<4>,2|C<2>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.1390	2.879	2	121.1390	8.291	2	120.9922	3.606	43	121.0457	4.545	106	121.0054	3.764	410	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6,6]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[3x6]-4:C[6,6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6,6]C[3x6]C[6,6]H)(C[6a]C[6a]H)2	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HN)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[6,6]C[3x6]C[6,6]H)(C[6a]C[6a]H)2{1|N<3>,2|C<4>,3|C<3>,3|H<1>}	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HN)(C[6a]C[6a]2)(H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	121.1005	1.203	2	121.1005	1.447	2	120.9922	3.606	43	121.0457	4.545	106	121.0054	3.764	410	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6,6]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[3x6]-4:C[6,6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6,6]C[3x6]C[6,6]H)(C[6a]C[6a]H)2	C[6,6](C[3x6]C[6,6]2Cl)(C[6,6]C[3x6]HH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[6,6]C[3x6]C[6,6]H)(C[6a]C[6a]H)2{1|Cl<1>,1|C<4>,3|C<3>,4|H<1>}	C[6,6](C[3x6]C[6,6]2Cl)(C[6,6]C[3x6]HH)(C[6a]C[6a]2)(H){2|Cl<1>,1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	120.9830	2.766	2	121.0429	3.521	12	120.9922	3.606	43	121.0457	4.545	106	121.0054	3.764	410	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6,6]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[3x6]-4:C[6,6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6,6]C[3x6]C[6,6]H)(C[6a]C[6a]H)2	C[6,6](C[3x6]C[6,6]2Cl)(C[6,6]C[3x6]HH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[6,6]C[3x6]C[6,6]H)(C[6a]C[6a]H)2{1|Cl<1>,1|C<4>,3|C<3>,4|H<1>}	C[6,6](C[3x6]C[6,6]2Cl)(C[6,6]C[3x6]HH)(C[6a]C[6a]2)(H){2|Cl<1>,1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.9985	1.877	2	121.0429	3.521	12	120.9922	3.606	43	121.0457	4.545	106	121.0054	3.764	410	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6,6]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[3x6]-4:C[6,6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6,6]C[3x6]C[6,6]H)(C[6a]C[6a]H)2	C[6,6](C[3x6]C[6,6]2Cl)(C[6,6]C[3x6]HH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[6,6]C[3x6]C[6,6]H)(C[6a]C[6a]H)2{1|Cl<1>,1|C<4>,3|C<3>,4|H<1>}	C[6,6](C[3x6]C[6,6]2Cl)(C[6,6]C[3x6]HH)(C[6a]C[6a]2)(H){2|Cl<1>,1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	121.8430	2.042	2	121.0429	3.521	12	120.9922	3.606	43	121.0457	4.545	106	121.0054	3.764	410	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6,6]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[3x6]-4:C[6,6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6,6]C[3x6]C[6,6]H)(C[6a]C[6a]H)2	C[6,6](C[3x6]C[6,6]2Cl)(C[6,6]C[3x6]HH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[6,6]C[3x6]C[6,6]H)(C[6a]C[6a]H)2{1|Cl<1>,1|C<4>,3|C<3>,4|H<1>}	C[6,6](C[3x6]C[6,6]2Cl)(C[6,6]C[3x6]HH)(C[6a]C[6a]2)(H){2|Cl<1>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	121.0025	2.927	2	121.0429	3.521	12	120.9922	3.606	43	121.0457	4.545	106	121.0054	3.764	410	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6,6]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[3x6]-4:C[6,6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6,6]C[3x6]C[6,6]H)(C[6a]C[6a]H)2	C[6,6](C[3x6]C[6,6]2Cl)(C[6,6]C[3x6]HH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[6,6]C[3x6]C[6,6]H)(C[6a]C[6a]H)2{1|Cl<1>,1|C<4>,3|C<3>,4|H<1>}	C[6,6](C[3x6]C[6,6]2Cl)(C[6,6]C[3x6]HH)(C[6a]C[6a]2)(H){2|Cl<1>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.7370	2.591	2	121.0429	3.521	12	120.9922	3.606	43	121.0457	4.545	106	121.0054	3.764	410	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6,6]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[3x6]-4:C[6,6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6,6]C[3x6]C[6,6]H)(C[6a]C[6a]H)2	C[6,6](C[3x6]C[6,6]2Cl)(C[6,6]C[3x6]HH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[6,6]C[3x6]C[6,6]H)(C[6a]C[6a]H)2{1|Cl<1>,1|C<4>,3|C<3>,4|H<1>}	C[6,6](C[3x6]C[6,6]2Cl)(C[6,6]C[3x6]HH)(C[6a]C[6a]2)(H){2|Cl<1>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	120.6935	2.525	2	121.0429	3.521	12	120.9922	3.606	43	121.0457	4.545	106	121.0054	3.764	410	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6,6]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[3x6]-4:C[6,6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6,6]C[3x6]C[6,6]H)(C[6a]C[6a]H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[6,6]C[3x6]C[6,6]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	119.6430	0.000	1	120.3790	5.388	3	120.9922	3.606	43	121.0457	4.545	106	121.0054	3.764	410	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6,6]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[3x6]-4:C[6,6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6,6]C[3x6]C[6,6]H)(C[6a]C[6a]H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[6,6]C[3x6]C[6,6]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,4|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(C[6a]C[6a]2)(H){3|C<3>,3|C<4>,4|H<1>}	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.7470	3.157	2	120.3790	5.388	3	120.9922	3.606	43	121.0457	4.545	106	121.0054	3.764	410	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6,6]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[3x6]-4:C[6,6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6,6]C[3x6]C[6,6]H)(C[6a]C[6a]H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]O)(H)	C[6a](C[6,6]C[3x6]C[6,6]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]O)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	121.6390	0.000	1	121.6390	0.000	1	120.9922	3.606	43	121.0457	4.545	106	121.0054	3.764	410	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6,6]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[3x6]-4:C[6,6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6,6]C[3x6]C[6,6]H)(C[6a]C[6a]H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HN)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[6,6]C[3x6]C[6,6]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HN)(C[6a]C[6a]2)(H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	121.1555	2.283	2	121.1555	5.213	2	120.9922	3.606	43	121.0457	4.545	106	121.0054	3.764	410	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6,6]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[3x6]-4:C[6,6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6,6]C[3x6]C[6,6]H)(C[6a]C[6a]H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HO)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[6,6]C[3x6]C[6,6]H)(C[6a]C[6a]H)2{1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HO)(C[6a]C[6a]2)(H){1|C<4>,3|C<3>,7|H<1>}	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	121.0495	2.225	2	121.0495	4.952	2	120.9922	3.606	43	121.0457	4.545	106	121.0054	3.764	410	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6,6]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[3x6]-4:C[6,6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6,6]C[3x6]C[6,6]H)(C[6a]C[6a]H)2	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[6,6]C[5,3x6]HH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[6,6]C[3x6]C[6,6]H)(C[6a]C[6a]H)2{1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[6,6]C[5,3x6]HH)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.8135	1.607	2	120.8135	2.583	2	120.9922	3.606	43	121.0457	4.545	106	121.0054	3.764	410	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6,6]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[3x6]-4:C[6,6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6,6]C[3x6]C[6,6]H)(C[6a]C[6a]H)2	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]CH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[6,6]C[3x6]C[6,6]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]CH)(C[6a]C[6a]2)(H){1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	120.4922	3.893	4	120.4922	15.154	4	120.9922	3.606	43	121.0457	4.545	106	121.0054	3.764	410	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6,6]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[4,6,6]-4:C[4,6,6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6,6]C[4,6,6]2H)(C[6a]C[6a]H)2	C[6,6](C[4,6,6]C[4,6,6]2C)2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[6,6]C[4,6,6]2H)(C[6a]C[6a]H)2{2|H<1>,3|C<3>,4|C<4>}	C[6,6](C[4,6,6]C[4,6,6]2C)2(C[6a]C[6a]2)(H){2|C<3>,2|C<4>,2|N<3>,6|H<1>}	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.8768	3.299	4	121.1202	9.946	8	120.9607	8.806	10	121.0457	4.545	106	121.0054	3.764	410	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6,6]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[4,6,6]-4:C[4,6,6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6,6]C[4,6,6]2H)(C[6a]C[6a]H)2	C[6,6](C[4,6,6]C[4,6,6]2C)2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[6,6]C[4,6,6]2H)(C[6a]C[6a]H)2{2|H<1>,3|C<3>,4|C<4>}	C[6,6](C[4,6,6]C[4,6,6]2C)2(C[6a]C[6a]2)(H){2|C<3>,2|C<4>,2|N<3>,6|H<1>}	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	121.7270	4.762	2	121.1202	9.946	8	120.9607	8.806	10	121.0457	4.545	106	121.0054	3.764	410	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6,6]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[4,6,6]-4:C[4,6,6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6,6]C[4,6,6]2H)(C[6a]C[6a]H)2	C[6,6](C[4,6,6]C[4,6,6]2C)2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[6,6]C[4,6,6]2H)(C[6a]C[6a]H)2{2|H<1>,3|C<3>,4|C<4>}	C[6,6](C[4,6,6]C[4,6,6]2C)2(C[6a]C[6a]2)(H){2|C<3>,2|H<1>,2|O<2>,6|C<4>}	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.0005	3.647	2	121.1202	9.946	8	120.9607	8.806	10	121.0457	4.545	106	121.0054	3.764	410	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6,6]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[4,6,6]-4:C[4,6,6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6,6]C[4,6,6]2H)(C[6a]C[6a]H)2	C[6,6](C[4,6,6]C[4,6,6]2C)2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]O)(H)	C[6a](C[6,6]C[4,6,6]2H)(C[6a]C[6a]H)2{2|O<2>,3|C<3>,4|C<4>}	C[6,6](C[4,6,6]C[4,6,6]2C)2(C[6a]C[6a]2)(H){2|C<3>,2|C<4>,2|N<3>,6|H<1>}	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]O)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	120.3225	2.934	2	120.3225	8.607	2	120.9607	8.806	10	121.0457	4.545	106	121.0054	3.764	410	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6,6]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[4x6]-4:C[6,6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6,6]C[4x6]C[6,6]H)(C[6a]C[6a]H)2	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[6,6]C[4x6]C[6,6]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,4|H<1>}	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(C[6a]C[6a]2)(H){1|O<1>,3|C<3>,3|C<4>,5|H<1>}	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|F<1>,2|C<4>,2|H<1>}	121.2045	1.887	2	121.3940	1.971	6	121.3940	1.971	6	121.0457	4.545	106	121.0054	3.764	410	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6,6]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[4x6]-4:C[6,6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6,6]C[4x6]C[6,6]H)(C[6a]C[6a]H)2	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[6,6]C[4x6]C[6,6]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,4|H<1>}	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(C[6a]C[6a]2)(H){1|O<1>,3|C<3>,3|C<4>,5|H<1>}	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	121.6310	2.332	2	121.3940	1.971	6	121.3940	1.971	6	121.0457	4.545	106	121.0054	3.764	410	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6,6]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[4x6]-4:C[6,6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6,6]C[4x6]C[6,6]H)(C[6a]C[6a]H)2	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[6,6]C[4x6]C[6,6]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,4|H<1>}	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(C[6a]C[6a]2)(H){1|O<1>,3|C<3>,3|C<4>,5|H<1>}	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.3465	0.815	2	121.3940	1.971	6	121.3940	1.971	6	121.0457	4.545	106	121.0054	3.764	410	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6,6]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[5,3x6]-4:C[5,6,6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6,6]C[5,3x6]C[5,6,6]H)(C[6a]C[6a]H)2	C[6,6](C[5,3x6]C[5,6,6]2C[5])(C[5,6,6]C[5,3x6]C[5]2)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[6,6]C[5,3x6]C[5,6,6]H)(C[6a]C[6a]H)2{1|H<1>,1|O<2>,2|C<4>,5|C<3>}	C[6,6](C[5,3x6]C[5,6,6]2C[5])(C[5,6,6]C[5,3x6]C[5]2)(C[6a]C[6a]2)(H){1|C<4>,1|O<2>,2|H<1>,3|O<1>,9|C<3>}	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	119.5930	0.000	1	121.0310	8.769	9	121.1016	7.844	10	121.0457	4.545	106	121.0054	3.764	410	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6,6]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[5,3x6]-4:C[5,6,6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6,6]C[5,3x6]C[5,6,6]H)(C[6a]C[6a]H)2	C[6,6](C[5,3x6]C[5,6,6]2C[5])(C[5,6,6]C[5,3x6]C[5]2)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[6,6]C[5,3x6]C[5,6,6]H)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,5|C<3>}	C[6,6](C[5,3x6]C[5,6,6]2C[5])(C[5,6,6]C[5,3x6]C[5]2)(C[6a]C[6a]2)(H){10|C<3>,1|C<4>,2|H<1>,3|O<1>}	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	121.4325	3.768	2	121.0310	8.769	9	121.1016	7.844	10	121.0457	4.545	106	121.0054	3.764	410	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6,6]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[5,3x6]-4:C[5,6,6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6,6]C[5,3x6]C[5,6,6]H)(C[6a]C[6a]H)2	C[6,6](C[5,3x6]C[5,6,6]2C[5])(C[5,6,6]C[5,3x6]C[5]2)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[6,6]C[5,3x6]C[5,6,6]H)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,5|C<3>}	C[6,6](C[5,3x6]C[5,6,6]2C[5])(C[5,6,6]C[5,3x6]C[5]2)(C[6a]C[6a]2)(H){1|C<4>,1|O<2>,2|H<1>,3|O<1>,9|C<3>}	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	121.2565	3.610	2	121.0310	8.769	9	121.1016	7.844	10	121.0457	4.545	106	121.0054	3.764	410	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6,6]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[5,3x6]-4:C[5,6,6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6,6]C[5,3x6]C[5,6,6]H)(C[6a]C[6a]H)2	C[6,6](C[5,3x6]C[5,6,6]2C[5])(C[5,6,6]C[5,3x6]C[5]2)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[6,6]C[5,3x6]C[5,6,6]H)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,5|C<3>}	C[6,6](C[5,3x6]C[5,6,6]2C[5])(C[5,6,6]C[5,3x6]C[5]2)(C[6a]C[6a]2)(H){1|C<4>,1|O<2>,2|H<1>,3|O<1>,9|C<3>}	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.8820	4.688	2	121.0310	8.769	9	121.1016	7.844	10	121.0457	4.545	106	121.0054	3.764	410	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6,6]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[5,3x6]-4:C[5,6,6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6,6]C[5,3x6]C[5,6,6]H)(C[6a]C[6a]H)2	C[6,6](C[5,3x6]C[5,6,6]2C[5])(C[5,6,6]C[5,3x6]C[5]2)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[6,6]C[5,3x6]C[5,6,6]H)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,5|C<3>}	C[6,6](C[5,3x6]C[5,6,6]2C[5])(C[5,6,6]C[5,3x6]C[5]2)(C[6a]C[6a]2)(H){1|C<4>,1|O<2>,2|H<1>,3|O<1>,9|C<3>}	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	121.2720	4.277	2	121.0310	8.769	9	121.1016	7.844	10	121.0457	4.545	106	121.0054	3.764	410	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6,6]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[5,3x6]-4:C[5,6,6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6,6]C[5,3x6]C[5,6,6]H)(C[6a]C[6a]H)2	C[6,6](C[5,3x6]C[5,6,6]2C[5])(C[5,6,6]C[5,3x6]C[5]2)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]O)(H)	C[6a](C[6,6]C[5,3x6]C[5,6,6]H)(C[6a]C[6a]H)2{1|H<1>,1|O<2>,2|C<4>,5|C<3>}	C[6,6](C[5,3x6]C[5,6,6]2C[5])(C[5,6,6]C[5,3x6]C[5]2)(C[6a]C[6a]2)(H){1|C<4>,1|O<2>,2|H<1>,3|O<1>,9|C<3>}	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]O)(H){1|C<3>,2|C<4>,3|H<1>}	121.7370	0.000	1	121.7370	0.000	1	121.1016	7.844	10	121.0457	4.545	106	121.0054	3.764	410	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6,6]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[5,6,6]-4:C[3x6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6,6]C[5,6,6]C[3x6]H)(C[6a]C[6a]H)2	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[3x6]C[6,6]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[6,6]C[5,6,6]C[3x6]H)(C[6a]C[6a]H)2{1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[3x6]C[6,6]H)(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,2|O<2>,3|C<3>,5|H<1>}	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	118.6180	0.000	1	118.6180	0.000	1	120.9832	8.467	6	121.0457	4.545	106	121.0054	3.764	410	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6,6]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[5,6,6]-4:C[3x6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6,6]C[5,6,6]C[3x6]H)(C[6a]C[6a]H)2	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[3x6]C[6,6]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]O)(H)	C[6a](C[6,6]C[5,6,6]C[3x6]H)(C[6a]C[6a]H)2{1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[3x6]C[6,6]H)(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,2|O<2>,3|C<3>,5|H<1>}	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]O)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	123.0730	0.000	1	123.0730	0.000	1	120.9832	8.467	6	121.0457	4.545	106	121.0054	3.764	410	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6,6]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[5,6,6]-4:C[3x6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6,6]C[5,6,6]C[3x6]H)(C[6a]C[6a]H)2	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6]2H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[6,6]C[5,6,6]C[3x6]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6]2H)(C[6a]C[6a]2)(H){1|C<4>,1|O<2>,2|O<1>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	124.2030	0.000	1	122.1413	9.056	3	120.9832	8.467	6	121.0457	4.545	106	121.0054	3.764	410	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6,6]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[5,6,6]-4:C[3x6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6,6]C[5,6,6]C[3x6]H)(C[6a]C[6a]H)2	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6]2H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[6,6]C[5,6,6]C[3x6]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,4|H<1>}	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6]2H)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|C<4>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.1105	3.426	2	122.1413	9.056	3	120.9832	8.467	6	121.0457	4.545	106	121.0054	3.764	410	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6,6]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[5,6,6]-4:C[3x6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6,6]C[5,6,6]C[3x6]H)(C[6a]C[6a]H)2	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6]2H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]O)(H)	C[6a](C[6,6]C[5,6,6]C[3x6]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6]2H)(C[6a]C[6a]2)(H){1|C<4>,1|O<2>,2|O<1>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]O)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	117.7840	0.000	1	117.7840	0.000	1	120.9832	8.467	6	121.0457	4.545	106	121.0054	3.764	410	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6,6]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[5,6,6]-4:P[3x6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6,6]C[5,6,6]P[3x6]H)(C[6a]C[6a]H)2	C[6,6](C[5,6,6]C[5,3x6]C[5]C)(P[3x6]O[6,6]2Cr)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[6,6]C[5,6,6]P[3x6]H)(C[6a]C[6a]H)2{1|Cr<6>,2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6,6](C[5,6,6]C[5,3x6]C[5]C)(P[3x6]O[6,6]2Cr)(C[6a]C[6a]2)(H){2|H<1>,3|C<3>,4|C<4>}	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|P<4>,3|H<1>}	120.9195	1.828	2	120.9195	3.341	2	120.9275	1.963	6	121.0457	4.545	106	121.0054	3.764	410	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6,6]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[5,6,6]-4:P[3x6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6,6]C[5,6,6]P[3x6]H)(C[6a]C[6a]H)2	C[6,6](C[5,6,6]C[5,3x6]C[5]C)(P[3x6]O[6,6]2Mo)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[6,6]C[5,6,6]P[3x6]H)(C[6a]C[6a]H)2{1|Mo<6>,2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6,6](C[5,6,6]C[5,3x6]C[5]C)(P[3x6]O[6,6]2Mo)(C[6a]C[6a]2)(H){2|H<1>,3|C<3>,4|C<4>}	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|P<4>,3|H<1>}	120.7440	1.646	2	120.7440	2.710	2	120.9275	1.963	6	121.0457	4.545	106	121.0054	3.764	410	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6,6]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[5,6,6]-4:P[3x6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6,6]C[5,6,6]P[3x6]H)(C[6a]C[6a]H)2	C[6,6](C[5,6,6]C[5,3x6]C[5]C)(P[3x6]O[6,6]2W)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[6,6]C[5,6,6]P[3x6]H)(C[6a]C[6a]H)2{1|W<6>,2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6,6](C[5,6,6]C[5,3x6]C[5]C)(P[3x6]O[6,6]2W)(C[6a]C[6a]2)(H){2|H<1>,3|C<3>,4|C<4>}	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|P<4>,3|H<1>}	121.1190	1.904	2	121.1190	3.623	2	120.9275	1.963	6	121.0457	4.545	106	121.0054	3.764	410	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6,6]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[3x6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6,6]C[3x6]C[6,6]H)(C[6a]C[6a]H)2	C[6,6](C[6,6]C[5,3x6]CH)(C[3x6]C[6,6]2H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[6,6]C[3x6]C[6,6]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,4|H<1>}	C[6,6](C[6,6]C[5,3x6]CH)(C[3x6]C[6,6]2H)(C[6a]C[6a]2)(H){2|C<3>,2|C<4>,2|O<1>,3|H<1>}	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.9292	1.386	8	120.9292	1.922	8	120.9292	1.922	8	121.0457	4.545	106	121.0054	3.764	410	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6,6]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6,6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6,6]C[6,6]2H)(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6,6a]N[6]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[6,6]C[6,6]2H)(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6,6a]N[6]H)(C[6a]C[6a]2)(H){1|N<3>,1|S<4>,2|H<1>,7|C<3>}	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	121.4740	0.942	2	121.4740	0.887	2	121.1223	8.261	4	121.0457	4.545	106	121.0054	3.764	410	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6,6]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6,6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6,6]C[6,6]2H)(C[6a]C[6a]H)2	C[6,6](C[6,6]C[6,6a]N[6]H)(C[6,6]C[6]O[6]N)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[6,6]C[6,6]2H)(C[6a]C[6a]H)2{1|C<4>,1|N<2>,1|N<4>,1|O<2>,2|C<3>,3|H<1>}	C[6,6](C[6,6]C[6,6a]N[6]H)(C[6,6]C[6]O[6]N)(C[6a]C[6a]2)(H){1|C<4>,5|C<3>,5|H<1>}	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.7705	4.837	2	120.7705	23.400	2	121.1223	8.261	4	121.0457	4.545	106	121.0054	3.764	410	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6,6]	C[6a]	4:3:3:	4:4:3:1:	3:3:3:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[3x6]-4:C[6,6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6,6]C[3x6]C[6,6]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]C)(C[6,6]C[3x6]HH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(CHO)	C[6a](C[6,6]C[3x6]C[6,6]H)(C[6a]C[6a]C)(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]C)(C[6,6]C[3x6]HH)(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(CHO){1|C<3>,2|C<4>,3|H<1>}	122.2987	0.266	3	122.2987	0.071	3	122.2987	0.071	3	121.6758	0.779	5	121.0054	3.764	410	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6,6]	C[6a]	4:3:3:	4:4:3:1:	3:3:3:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6,6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6,6]C[6,6]2H)(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6,6a]N[6]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(NHS)	C[6a](C[6,6]C[6,6]2H)(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6,6a]N[6]H)(C[6a]C[6a]2)(H){1|N<3>,1|S<4>,2|H<1>,7|C<3>}	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(NHS){1|C<3>,2|C<4>,3|H<1>}	120.7415	0.255	2	120.7415	0.065	2	120.7415	0.065	2	121.6758	0.779	5	121.0054	3.764	410	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6,6]	C[6a]	4:3:3:	4:4:3:1:	3:3:4:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[3x6]-4:C[3x6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6,6]C[3x6]2H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6,6](C[3x6]C[4x6]C[6]H)(C[3x6]C[6,6]2H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(CF3)	C[6a](C[6,6]C[3x6]2H)(C[6a]C[6a]C)(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	C[6,6](C[3x6]C[4x6]C[6]H)(C[3x6]C[6,6]2H)(C[6a]C[6a]2)(H){2|C<4>,2|N<3>,2|O<1>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(CF3){1|C<3>,2|C<4>,3|H<1>}	122.4310	0.543	2	122.4310	0.295	2	122.4310	0.295	2	121.8790	1.062	3	121.0054	3.764	410	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6,6]	C[6a]	4:3:3:	4:4:3:1:	3:3:4:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[3x6]-4:C[6,6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6,6]C[3x6]C[6,6]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CC)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(CH3)	C[6a](C[6,6]C[3x6]C[6,6]H)(C[6a]C[6a]C)(C[6a]C[6a]H){2|C<2>,2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CC)(C[6a]C[6a]2)(H){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(CH3){1|C<3>,2|C<4>,3|H<1>}	120.7750	0.000	1	120.7750	0.000	1	120.7750	0.000	1	121.8790	1.062	3	121.0054	3.764	410	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6,6]	C[6a]	4:3:3:	4:4:3:2:	3:3:1:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[3,6,6]-4:C[6,6]-4:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6,6]C[3,6,6]C[6,6]O)(C[6a]C[6a]H)2	C[6,6](C[3,6,6]C[3,6]2C[6a])(C[6,6]C[6]2H)(C[6a]C[6a]2)(OH)	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[6,6]C[3,6,6]C[6,6]O)(C[6a]C[6a]H)2{2|C<4>,3|H<1>,4|C<3>}	C[6,6](C[3,6,6]C[3,6]2C[6a])(C[6,6]C[6]2H)(C[6a]C[6a]2)(OH){6|C<3>,6|H<1>}	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|F<1>,1|H<1>,1|O<2>,2|C<4>}	121.0410	1.431	2	121.3610	1.364	12	121.2426	0.745	22	121.1692	0.835	23	121.0054	3.764	410	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6,6]	C[6a]	4:3:3:	4:4:3:2:	3:3:1:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[3,6,6]-4:C[6,6]-4:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6,6]C[3,6,6]C[6,6]O)(C[6a]C[6a]H)2	C[6,6](C[3,6,6]C[3,6]2C[6a])(C[6,6]C[6]2H)(C[6a]C[6a]2)(OH)	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[6,6]C[3,6,6]C[6,6]O)(C[6a]C[6a]H)2{2|C<4>,3|H<1>,4|C<3>}	C[6,6](C[3,6,6]C[3,6]2C[6a])(C[6,6]C[6]2H)(C[6a]C[6a]2)(OH){6|C<3>,6|H<1>}	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	121.4250	1.188	10	121.3610	1.364	12	121.2426	0.745	22	121.1692	0.835	23	121.0054	3.764	410	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6,6]	C[6a]	4:3:3:	4:4:3:2:	3:3:1:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[3,6,6]-4:C[6,6]-4:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6,6]C[3,6,6]C[6,6]O)(C[6a]C[6a]H)2	C[6,6](C[3,6,6]C[3,6]2H)(C[6,6]C[6a]C[6]2)(C[6a]C[6a]2)(OH)	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[6,6]C[3,6,6]C[6,6]O)(C[6a]C[6a]H)2{2|C<4>,3|H<1>,4|C<3>}	C[6,6](C[3,6,6]C[3,6]2H)(C[6,6]C[6a]C[6]2)(C[6a]C[6a]2)(OH){6|C<3>,6|H<1>}	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|F<1>,1|H<1>,1|O<2>,2|C<4>}	121.1006	0.175	10	121.1006	0.031	10	121.2426	0.745	22	121.1692	0.835	23	121.0054	3.764	410	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6,6]	C[6a]	4:3:3:	4:4:3:2:	3:3:1:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[3x6]-4:C[3x6]-4:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6,6]C[3x6]2O)(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6,6](C[3x6]C[6,6]2H)2(C[6a]C[6a]2)(OH)	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[6,6]C[3x6]2O)(C[6a]C[6a]2)(C[6a]C[6a]H){3|C<3>,4|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]2H)2(C[6a]C[6a]2)(OH){2|C<4>,3|C<3>,9|H<1>}	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	119.5540	0.000	1	119.5540	0.000	1	119.5540	0.000	1	121.1692	0.835	23	121.0054	3.764	410	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6,6]	C[6a]	4:3:3:	4:4:3:2:	3:3:3:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[3x6]-4:C[3x6]-4:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6,6]C[3x6]2O)(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6,6](C[3x6]C[6,6]2H)2(C[6a]C[6a]2)(OH)	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6,6]C[3x6]2O)(C[6a]C[6a]2)(C[6a]C[6a]H){3|C<3>,4|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]2H)2(C[6a]C[6a]2)(OH){2|C<4>,3|C<3>,9|H<1>}	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]H){2|C<4>,2|O<2>,3|C<3>,3|H<1>}	123.5270	0.000	1	123.5270	0.000	1	123.5270	0.000	1	123.5270	0.000	1	121.0054	3.764	410	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6,6]	C[6a]	4:3:3:	4:4:3:3:	3:3:1:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[3x6]-4:C[3x6]-4:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6,6]C[3x6]2N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6,6](C[3x6]C[6,6]2H)2(C[6a]C[6a]2)(N[5a]C[5a]2)	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[6,6]C[3x6]2N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){3|C<3>,4|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]2H)2(C[6a]C[6a]2)(N[5a]C[5a]2){11|H<1>,1|N<2>,1|O<2>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	120.0750	0.000	1	120.0750	0.000	1	120.0750	0.000	1	120.0750	0.000	1	121.0054	3.764	410	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6,6]	C[6a]	4:3:3:	4:4:3:3:	3:3:2:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[3x6]-4:C[3x6]-4:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6,6]C[3x6]2N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6,6](C[3x6]C[6,6]2H)2(C[6a]C[6a]2)(N[5a]C[5a]2)	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(OH)	C[6a](C[6,6]C[3x6]2N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){3|C<3>,4|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]2H)2(C[6a]C[6a]2)(N[5a]C[5a]2){11|H<1>,1|N<2>,1|O<2>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(OH){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	123.0650	0.000	1	123.0650	0.000	1	123.0650	0.000	1	123.0650	0.000	1	121.0054	3.764	410	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6,6]	C[6a]	4:3:3:	4:4:3:4:	3:3:1:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[3x6]-4:C[6,6]-4:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6,6]C[3x6]C[6,6]C)(C[6a]C[6a]H)2	C[6,6](C[3x6]C[6,6,6a]C[6,6]C)(C[6,6]C[3x6]HH)(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[6,6]C[3x6]C[6,6]C)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,4|H<1>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]C)(C[6,6]C[3x6]HH)(C[6a]C[6a]2)(CH3){1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	121.3440	0.532	2	121.3440	0.283	2	121.4282	7.611	6	121.3898	4.483	10	121.0054	3.764	410	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6,6]	C[6a]	4:3:3:	4:4:3:4:	3:3:1:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[3x6]-4:C[6,6]-4:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6,6]C[3x6]C[6,6]C)(C[6a]C[6a]H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[6,6]C[3x6]C[6,6]C)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,5|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(C[6a]C[6a]2)(CCHH){1|O<1>,1|O<2>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	121.4703	3.547	4	121.4703	12.584	4	121.4282	7.611	6	121.3898	4.483	10	121.0054	3.764	410	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6,6]	C[6a]	4:3:3:	4:4:3:4:	3:3:1:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6,6]-4:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6,6]C[6,6]2C)(C[6a]C[6a]H)2	C[6,6](C[6,6]C[6]2H)2(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[6,6]C[6,6]2C)(C[6a]C[6a]H)2{4|H<1>,5|C<3>}	C[6,6](C[6,6]C[6]2H)2(C[6a]C[6a]2)(CH3){2|C<3>,2|H<1>,2|N<3>,4|O<1>}	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	120.9505	1.293	2	120.9505	1.673	2	120.9505	1.673	2	121.3898	4.483	10	121.0054	3.764	410	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6,6]	C[6a]	4:3:3:	4:4:3:4:	3:3:1:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:Si[6]-4:C[6a]-3:C[6]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6,6]C[6,6]Si[6]C[6])(C[6a]C[6a]H)2	C[6,6](C[6,6]C[6,6]HH)(Si[6]O[6]CC)(C[6a]C[6a]2)(C[6]N[6]HH)	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[6,6]C[6,6]Si[6]C[6])(C[6a]C[6a]H)2{1|C<3>,1|N<3>,1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]HH)(Si[6]O[6]CC)(C[6a]C[6a]2)(C[6]N[6]HH){1|Si<4>,1|C<4>,1|S<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H){1|Si<4>,1|C<3>,2|C<4>,2|H<1>}	121.7140	0.127	2	121.7140	0.016	2	121.7140	0.016	2	121.3898	4.483	10	121.0054	3.764	410	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6,6]	C[6a]	4:3:3:	4:4:4:3:	3:3:1:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-4:C[6,6]-4:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6,6]C[6,6]C[6]2)(C[6a]C[6a]H)2	C[6,6](C[6]C[6,6a]CH)(C[6]C[6,6a]HH)(C[6,6]C[6]2H)(C[6a]C[6a]2)	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[6,6]C[6,6]C[6]2)(C[6a]C[6a]H)2{3|C<3>,3|C<4>,6|H<1>}	C[6,6](C[6]C[6,6a]CH)(C[6]C[6,6a]HH)(C[6,6]C[6]2H)(C[6a]C[6a]2){6|C<3>,6|H<1>}	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	121.5180	2.489	2	121.5180	6.195	2	121.5180	6.195	2	121.5180	6.195	2	121.0054	3.764	410	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6,6a]	3:3:4:	3:4:4:2:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:O-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2O)	C[6](C[6a]C[6,6a]C[6a])(C[6]C[6]HH)2(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C[6])(C[6]C[6]HH)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2O){2|C<3>,4|C<4>,6|H<1>}	C[6](C[6a]C[6,6a]C[6a])(C[6]C[6]HH)2(OH){2|C<3>,2|C<4>,5|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C[6])(C[6]C[6]HH){1|C<3>,1|O<1>,1|O<2>,3|C<4>,4|H<1>}	124.0900	0.000	1	124.0900	0.000	1	124.0900	0.000	1	124.0900	0.000	1	123.7905	0.179	2	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6,6a]	3:4:3:	3:4:2:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6a](C[6,6a]C[6,6a]O[6])(C[6]C[6]O[6]H)(C[6a]C[6a]O)	C[6](C[6a]C[6,6a]C[6a])(C[6]C[6]HO)(O[6]C[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C[6])(O[6]C[6])	C[6a](C[6,6a]C[6,6a]O[6])(C[6]C[6]O[6]H)(C[6a]C[6a]O){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[6](C[6a]C[6,6a]C[6a])(C[6]C[6]HO)(O[6]C[6])(H){2|C<3>,2|C<4>,2|H<1>,3|O<2>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C[6])(O[6]C[6]){1|O<1>,2|C<3>,2|C<4>,2|H<1>,3|O<2>}	123.4910	0.000	1	123.4910	0.000	1	123.4910	0.000	1	123.4910	0.000	1	123.7905	0.179	2	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a,6a]	3:3:4:	3:2:2:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[3x6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(C[6]O[6]2H)	C[6](C[6a]C[6a,6a]C[6a])(O[6]C[6])2(H)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(C[6]O[6]2H){2|C<4>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a,6a]C[6a])(O[6]C[6])2(H){1|C<4>,3|C<3>,5|H<1>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]C[6])(C[6a]C[6a]H){2|O<2>,3|H<1>,4|C<3>}	120.0680	0.042	2	120.0680	0.002	2	120.0680	0.002	2	119.6708	0.253	5	120.9491	2.197	72	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a,6a]	3:3:4:	3:2:2:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6]O[6]2H)	C[6](C[6a]C[6a,6a]C[6a])(O[6]C[6])2(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6]O[6]2H){2|C<4>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a,6a]C[6a])(O[6]C[6])2(H){1|C<4>,3|C<3>,5|H<1>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,2|O<2>,5|H<1>}	119.2210	0.528	2	119.2210	0.278	2	119.2210	0.278	2	119.6708	0.253	5	120.9491	2.197	72	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a,6a]	3:3:4:	3:2:2:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:S[6]-2:S[6]-2:H-1:	C[3x6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(C[6]S[6]2H)	C[6](C[6a]C[6a,6a]C[6a])(S[6]C[6])2(H)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(C[6]S[6]2H){2|C<4>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a,6a]C[6a])(S[6]C[6])2(H){1|C<4>,3|C<3>,5|H<1>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]C[6])(C[6a]C[6a]H){2|S<2>,3|H<1>,4|C<3>}	119.7760	0.000	1	119.7760	0.000	1	119.7760	0.000	1	119.6708	0.253	5	120.9491	2.197	72	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a,6a]	3:3:4:	3:3:3:1:	3:3:2:	C[6a,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:N[6]-3:N[6]-3:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(C[6]N[6]2H)	C[6](C[6a]C[6a,6a]C[6a])(N[6]N[6]H)2(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[6])(N[6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(C[6]N[6]2H){2|N<3>,3|C<3>,3|H<1>}	C[6](C[6a]C[6a,6a]C[6a])(N[6]N[6]H)2(H){1|H<1>,1|N<2>,2|C<4>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[6])(N[6a]C[6a]){2|C<3>,2|N<3>,5|H<1>}	121.5440	0.000	1	121.5440	0.000	1	121.5440	0.000	1	121.5440	0.000	1	120.9491	2.197	72	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a,6a]	3:3:4:	3:3:3:1:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:C[6]-4:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a,6a]2)(C[6]C[6]C)(H)	C[6a,6a](C[6a]C[6a,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[6]C[6,6]C[6]H){2|H<1>,9|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a,6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<1>,3|C<4>,4|C<3>}	C[6a,6a](C[6a]C[6a,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){4|H<1>,5|C<3>}	120.2775	0.537	2	120.2775	0.288	2	120.2775	0.288	2	121.1527	1.031	11	120.9491	2.197	72	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a,6a]	3:3:4:	3:3:3:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]2H)	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]C)2(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]2H){1|C<2>,2|H<1>,6|C<3>}	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]C)2(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[6])(C[6a]C[6a]H){4|C<3>,5|H<1>}	121.3820	0.865	6	121.3820	0.748	6	121.5909	0.929	7	121.1527	1.031	11	120.9491	2.197	72	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a,6a]	3:3:4:	3:3:3:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]2H)	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]C)2(H)	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]2H){1|H<1>,1|O<1>,1|O<2>,6|C<3>}	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]C)2(H){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6a]C[6])(C[6a]C[6a]H){4|C<3>,4|H<1>}	122.8440	0.000	1	122.8440	0.000	1	121.5909	0.929	7	121.1527	1.031	11	120.9491	2.197	72	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a,6a]	3:3:4:	3:3:3:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(C[6]C[6]N[6]H)	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]C)(N[6]C[6]H)(H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(C[6]C[6]N[6]H){2|H<1>,7|C<3>}	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]C)(N[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,4|C<3>,4|H<1>}	121.0900	0.000	1	121.0900	0.000	1	121.0900	0.000	1	121.1527	1.031	11	120.9491	2.197	72	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a,6a]	3:3:4:	3:3:3:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:N[6]-3:N[6]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(C[6]N[6]2H)	C[6](C[6a]C[6a,6a]C[6a])(N[6]C[6,6a]H)2(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(C[6]N[6]2H){4|H<1>,5|C<3>}	C[6](C[6a]C[6a,6a]C[6a])(N[6]C[6,6a]H)2(H){1|O<2>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|N<3>,4|H<1>}	119.8990	0.000	1	119.8990	0.000	1	119.8990	0.000	1	121.1527	1.031	11	120.9491	2.197	72	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a,6a]	3:3:4:	3:3:4:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-3:C[6]-4:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]2H)	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6,6a]O)(C[6]C[6]HH)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]2H){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6,6a]O)(C[6]C[6]HH)(H){3|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	120.8560	0.669	2	120.8560	0.447	2	120.8560	0.447	2	120.8560	0.447	2	120.9491	2.197	72	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a,6a]	3:3:4:	3:4:2:1:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:C[6]-4:	C[6a]-3:C[6]-4:N[6]-2:H-1:	C[6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[6]C[6]N[6]H)	C[6](C[6a]C[6a,6a]2)(C[6]C[6]HH)(N[6]C[6])(H)	C[6a,6a](C[6a]C[6a,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[6]C[6]N[6]H){4|H<1>,7|C<3>}	C[6](C[6a]C[6a,6a]2)(C[6]C[6]HH)(N[6]C[6])(H){1|N<3>,1|O<1>,1|S<2>,4|C<3>}	C[6a,6a](C[6a]C[6a,6a]C[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|N<2>,3|C<3>,4|H<1>}	119.9180	4.343	2	119.9180	18.862	2	119.9180	18.862	2	119.9180	18.862	2	120.9491	2.197	72	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a,6a]	3:3:4:	3:4:3:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[5,6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]2H)	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]2H){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)(C[6]C[6]O)(H){1|C<4>,3|C<3>,5|H<1>}	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]C[6])(C[6a]C[6a]H){3|C<3>,3|C<4>,3|H<1>}	118.5220	0.000	1	118.5220	0.000	1	118.5220	0.000	1	119.9775	0.685	6	120.9491	2.197	72	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a,6a]	3:3:4:	3:4:3:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(C[6]C[6]2H)	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(C[6]C[6]2H){1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)(C[6]C[6]O)(H){1|C<4>,3|C<3>,5|H<1>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	119.8680	0.000	1	119.8680	0.000	1	120.2686	0.221	5	119.9775	0.685	6	120.9491	2.197	72	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a,6a]	3:3:4:	3:4:3:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]2H)	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]CH)(C[6]C[6]C)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]2H){1|C<4>,3|H<1>,6|C<3>}	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]CH)(C[6]C[6]C)(H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,5|H<1>}	120.3940	0.530	2	120.5263	0.193	3	120.2686	0.221	5	119.9775	0.685	6	120.9491	2.197	72	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a,6a]	3:3:4:	3:4:3:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]2H)	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]CH)(C[6]C[6]C)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]2H){1|C<4>,3|H<1>,6|C<3>}	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]CH)(C[6]C[6]C)(H){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,5|H<1>}	120.7910	0.000	1	120.5263	0.193	3	120.2686	0.221	5	119.9775	0.685	6	120.9491	2.197	72	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a,6a]	3:3:4:	3:4:3:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]2H)	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]2H){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)(C[6]C[6]O)(H){1|C<4>,3|C<3>,5|H<1>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,5|H<1>}	119.8960	0.000	1	119.8960	0.000	1	120.2686	0.221	5	119.9775	0.685	6	120.9491	2.197	72	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a,6a]	3:3:4:	3:4:3:4:	3:3:3:	C[6a,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-3:C-4:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(C[6]C[6]2C)	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)(C[6]O[6]O)(CCHH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(C[6]C[6]2C){1|C<4>,1|O<1>,1|O<2>,3|C<3>,4|H<1>}	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)(C[6]O[6]O)(CCHH){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	125.8540	0.000	1	125.8540	0.000	1	125.8540	0.000	1	125.8540	0.000	1	120.9491	2.197	72	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a,6a]	3:3:4:	3:4:4:1:	3:3:2:	C[6a,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(C[6]C[6]2H)	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)2(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[6])(N[6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(C[6]C[6]2H){2|C<4>,3|C<3>,5|H<1>}	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)2(H){1|N<2>,1|N<3>,2|C<3>,5|H<1>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[6])(N[6a]C[6a]){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	119.2770	0.000	1	119.2770	0.000	1	119.2770	0.000	1	119.2770	0.000	1	120.9491	2.197	72	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a,6a]	3:3:4:	3:4:4:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]2H)	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6,6a]HH)(C[6]C[6]CO)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]2H){1|O<2>,4|H<1>,6|C<3>}	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6,6a]HH)(C[6]C[6]CO)(H){1|H<1>,1|O<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,5|H<1>}	119.9560	0.000	1	119.9560	0.000	1	120.8300	0.666	4	120.8300	0.666	4	120.9491	2.197	72	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a,6a]	3:3:4:	3:4:4:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]2H)	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6,6a]HH)(C[6]C[6]HH)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]2H){1|C<4>,4|C<3>,6|H<1>}	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6,6a]HH)(C[6]C[6]HH)(H){3|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,5|H<1>}	120.7790	0.000	1	120.7790	0.000	1	120.8300	0.666	4	120.8300	0.666	4	120.9491	2.197	72	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a,6a]	3:3:4:	3:4:4:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]2H)	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)(C[6]C[6]HO)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]2H){1|O<2>,2|C<4>,3|C<3>,5|H<1>}	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)(C[6]C[6]HO)(H){1|C<4>,3|C<3>,5|H<1>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,5|H<1>}	121.9270	0.000	1	121.9270	0.000	1	120.8300	0.666	4	120.8300	0.666	4	120.9491	2.197	72	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a,6a]	3:3:4:	3:4:4:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(C[6]C[6]2H)	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)2(H)	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(C[6]C[6]2H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)2(H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	120.6580	0.000	1	120.6580	0.000	1	120.8300	0.666	4	120.8300	0.666	4	120.9491	2.197	72	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a,6a]	3:4:2:	3:4:4:1:	3:3:3:	C[6a,6a]-3:C[6]-4:N[6a]-2:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6]2H)(N[6a]C[6a])	C[6](C[6a]C[6a,6a]N[6a])(C[6]C[6,6]HH)(C[6]C[6]HH)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]N[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6]2H)(N[6a]C[6a]){2|C<4>,4|C<3>,5|H<1>}	C[6](C[6a]C[6a,6a]N[6a])(C[6]C[6,6]HH)(C[6]C[6]HH)(H){3|C<3>,5|C<4>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]N[6a]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	120.5000	0.000	1	120.5000	0.000	1	120.5000	0.000	1	120.5000	0.000	1	120.9491	2.197	72	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a,6a]	3:4:3:	3:3:2:1:	3:3:3:	C[6a,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]O[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(O[6]C[6])(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]O[6]H)(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(O[6]C[6])(H){1|C<4>,4|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[6])(C[6a]C[6a]H){2|O<2>,3|C<3>,4|H<1>}	119.0240	0.000	1	119.0240	0.000	1	121.4210	2.566	4	121.0006	2.808	5	120.9491	2.197	72	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a,6a]	3:4:3:	3:3:2:1:	3:3:3:	C[6a,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]O[6]H)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(O[6]C[6])(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]O[6]H)(C[6a]C[6a]O){1|C<4>,2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(O[6]C[6])(H){1|C<4>,1|O<2>,3|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[6])(C[6a]C[6a]H){2|O<2>,3|C<3>,4|H<1>}	122.2200	0.136	3	122.2200	0.019	3	121.4210	2.566	4	121.0006	2.808	5	120.9491	2.197	72	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a,6a]	3:4:3:	3:3:2:1:	3:3:3:	C[6a,6a]-3:C[6]-4:C[6a]-3:	C[6a]-3:C[6]-3:O[6]-2:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6]O[6]H)(C[6a]C[6a]O)	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]H)(O[6]C[6])(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6]O[6]H)(C[6a]C[6a]O){1|C<4>,3|H<1>,4|C<3>}	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]H)(O[6]C[6])(H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[6])(C[6a]C[6a]H){2|O<2>,3|C<3>,4|H<1>}	119.3190	0.000	1	119.3190	0.000	1	119.3190	0.000	1	121.0006	2.808	5	120.9491	2.197	72	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a,6a]	3:4:3:	3:3:3:1:	3:3:3:	C[6a,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]2H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a,6a]C[6a])(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]2H)(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a,6a]C[6a])(H){1|O<2>,3|H<1>,7|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,4|C<3>,4|H<1>}	122.7070	0.000	1	122.7070	0.000	1	122.8927	2.668	3	121.9586	1.955	8	120.9491	2.197	72	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a,6a]	3:4:3:	3:3:3:1:	3:3:3:	C[6a,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]2H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a,6a]C[6a])(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[6])(C[6a]C[6a]Si)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]2H)(C[6a]C[6a]H){1|Si<4>,1|H<1>,7|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a,6a]C[6a])(H){1|O<2>,3|H<1>,7|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[6])(C[6a]C[6a]Si){4|C<3>,5|H<1>}	124.6110	0.000	1	124.6110	0.000	1	122.8927	2.668	3	121.9586	1.955	8	120.9491	2.197	72	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a,6a]	3:4:3:	3:3:3:1:	3:3:3:	C[6a,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]2H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a,6a]C[6a])(H)	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]2H)(C[6a]C[6a]H){1|H<1>,1|O<1>,1|O<2>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a,6a]C[6a])(H){1|O<2>,3|H<1>,7|C<3>}	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6a]C[6])(C[6a]C[6a]H){4|C<3>,4|H<1>}	121.3600	0.000	1	121.3600	0.000	1	122.8927	2.668	3	121.9586	1.955	8	120.9491	2.197	72	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a,6a]	3:4:3:	3:3:3:1:	3:3:3:	C[6a,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6]C[6]C)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]C[6]H)(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6]C[6]C)(H){1|O<2>,2|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[6])(C[6a]C[6a]H){4|C<3>,5|H<1>}	122.7800	0.000	1	122.7800	0.000	1	122.7800	0.000	1	121.9586	1.955	8	120.9491	2.197	72	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a,6a]	3:4:3:	3:3:3:1:	3:3:3:	C[6a,6a]-3:C[6]-4:C[6a]-3:	C[6a]-3:C[6,6]-3:C[6]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6]C[6]H)(C[6a]C[6a]H)	C[6](C[6a]C[6a,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6]C[6]C)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6]C[6]H)(C[6a]C[6a]H){1|C<2>,2|H<1>,6|C<3>}	C[6](C[6a]C[6a,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6]C[6]C)(H){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[6])(C[6a]C[6a]H){4|C<3>,5|H<1>}	121.2905	1.225	2	121.2905	1.502	2	121.2905	1.502	2	121.9586	1.955	8	120.9491	2.197	72	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a,6a]	3:4:3:	3:3:3:1:	3:3:3:	C[6a,6a]-3:C[6]-4:C[6a]-3:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6]N[6]H)(C[6a]C[6a]H)	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]C)(N[6]C[6]H)(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6]N[6]H)(C[6a]C[6a]H){1|N<2>,3|H<1>,5|C<3>}	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]C)(N[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,3|C<3>,4|H<1>}	120.9640	0.000	1	120.9640	0.000	1	120.9640	0.000	1	121.9586	1.955	8	120.9491	2.197	72	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a,6a]	3:4:3:	3:3:3:1:	3:3:3:	C[6a,6a]-3:C[6]-4:C[6a]-3:	C[6a]-3:N[6]-3:C[6]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6]N[6]H)(C[6a]C[6a]H)	C[6](C[6a]C[6a,6a]C[6a])(N[6]C[6,6a]C)(C[6]C[6]H)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6]N[6]H)(C[6a]C[6a]H){3|H<1>,6|C<3>}	C[6](C[6a]C[6a,6a]C[6a])(N[6]C[6,6a]C)(C[6]C[6]H)(H){2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,3|C<3>,5|H<1>}	120.6660	0.000	1	120.6660	0.000	1	120.6660	0.000	1	121.9586	1.955	8	120.9491	2.197	72	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a,6a]	3:4:3:	3:3:3:2:	3:3:3:	C[6a,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]2O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a,6a]C[6a])(OH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]2O)(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a,6a]C[6a])(OH){1|O<2>,3|H<1>,7|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,4|C<3>,4|H<1>}	121.2293	0.728	3	121.2293	0.531	3	121.2293	0.531	3	121.4920	0.545	7	120.9491	2.197	72	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a,6a]	3:4:3:	3:3:3:2:	3:3:3:	C[6a,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]C[6]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6]C[6]H)(OC)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]C[6]O)(C[6a]C[6a]H){3|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6]C[6]H)(OC){1|C<4>,3|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[6])(C[6a]C[6a]H){1|Br<1>,1|O<2>,3|H<1>,4|C<3>}	122.2340	0.624	2	122.2340	0.389	2	121.6890	0.616	4	121.4920	0.545	7	120.9491	2.197	72	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a,6a]	3:4:3:	3:3:3:2:	3:3:3:	C[6a,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:O-2:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]C[6]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6]C[6]H)(OH)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]C[6]O)(C[6a]C[6a]H){3|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6]C[6]H)(OH){1|C<4>,3|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[6])(C[6a]C[6a]H){1|Br<1>,1|O<2>,3|H<1>,4|C<3>}	121.1440	0.520	2	121.1440	0.271	2	121.6890	0.616	4	121.4920	0.545	7	120.9491	2.197	72	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a,6a]	3:4:3:	3:3:4:1:	3:3:3:	C[6a,6a]-3:C[6]-4:C[6a]-3:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a,6a]C[6a])(C[6]C[6]CH)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[5a,6]C[6]H)(C[6a]C[6a]H){1|C<4>,3|H<1>,6|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a,6a]C[6a])(C[6]C[6]CH)(H){1|C<4>,1|N<3>,2|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,5|H<1>}	121.5980	0.000	1	121.5980	0.000	1	121.5980	0.000	1	121.2400	0.096	3	120.9491	2.197	72	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a,6a]	3:4:3:	3:3:4:1:	3:3:3:	C[6a,6a]-3:C[6]-4:C[6a]-3:	C[6a]-3:C[5,6]-3:C[6]-4:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[5,6]C[6]H)(C[6a]C[6a]H)	C[6](C[6a]C[6a,6a]C[6a])(C[5,6]C[5,6]C[5])(C[6]C[6]CH)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[5,6]C[6]H)(C[6a]C[6a]H){2|C<4>,3|H<1>,5|C<3>}	C[6](C[6a]C[6a,6a]C[6a])(C[5,6]C[5,6]C[5])(C[6]C[6]CH)(H){1|N<3>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,5|H<1>}	121.0610	0.000	1	121.0610	0.000	1	121.0610	0.000	1	121.2400	0.096	3	120.9491	2.197	72	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a,6a]	3:4:3:	3:3:4:1:	3:3:3:	C[6a,6a]-3:C[6]-4:C[6a]-3:	C[6a]-3:N[6]-3:C[6]-4:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6]N[6]H)(C[6a]C[6a]H)	C[6](C[6a]C[6a,6a]C[6a])(N[6]C[6,6a]C)(C[6]C[6]CC)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6]N[6]H)(C[6a]C[6a]H){2|C<4>,2|H<1>,6|C<3>}	C[6](C[6a]C[6a,6a]C[6a])(N[6]C[6,6a]C)(C[6]C[6]CC)(H){3|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	121.0610	0.000	1	121.0610	0.000	1	121.0610	0.000	1	121.2400	0.096	3	120.9491	2.197	72	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a,6a]	3:4:3:	3:4:2:1:	3:3:3:	C[6a,6a]-3:C[6]-4:C[6a]-3:	C[6a]-3:C[5,6]-4:O[6]-2:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[5,6]O[6]H)(C[6a]C[6a]H)	C[6](C[6a]C[6a,6a]C[6a])(C[5,6]C[5,6]2N)(O[6]C[6,6a])(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[5,6]O[6]H)(C[6a]C[6a]H){1|N<3>,2|C<4>,2|H<1>,4|C<3>}	C[6](C[6a]C[6a,6a]C[6a])(C[5,6]C[5,6]2N)(O[6]C[6,6a])(H){1|N<3>,2|C<4>,3|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	117.4980	0.000	1	117.4980	0.000	1	119.1685	5.581	2	120.9991	4.443	8	120.9491	2.197	72	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a,6a]	3:4:3:	3:4:2:1:	3:3:3:	C[6a,6a]-3:C[6]-4:C[6a]-3:	C[6a]-3:C[5,6]-4:O[6]-2:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[5,6]O[6]H)(C[6a]C[6a]H)	C[6](C[6a]C[6a,6a]C[6a])(C[5,6]C[5,6]C[5]N)(O[6]C[6,6a])(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[5,6]O[6]H)(C[6a]C[6a]H){1|N<3>,2|C<4>,2|H<1>,4|C<3>}	C[6](C[6a]C[6a,6a]C[6a])(C[5,6]C[5,6]C[5]N)(O[6]C[6,6a])(H){1|C<4>,1|N<3>,4|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	120.8390	0.000	1	120.8390	0.000	1	119.1685	5.581	2	120.9991	4.443	8	120.9491	2.197	72	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a,6a]	3:4:3:	3:4:2:1:	3:3:3:	C[6a,6a]-3:C[6]-4:C[6a]-3:	C[6a]-3:C[5,6]-4:S[6]-2:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[5,6]S[6]H)(C[6a]C[6a]H)	C[6](C[6a]C[6a,6a]C[6a])(C[5,6]C[5,6]C[5]H)(S[6]C[6])(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[5,6]S[6]H)(C[6a]C[6a]H){3|C<3>,3|C<4>,3|H<1>}	C[6](C[6a]C[6a,6a]C[6a])(C[5,6]C[5,6]C[5]H)(S[6]C[6])(H){1|S<2>,2|C<4>,3|C<3>,6|H<1>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|S<2>,2|C<3>,5|H<1>}	119.8425	0.494	2	119.8425	0.244	2	119.8425	0.244	2	120.9991	4.443	8	120.9491	2.197	72	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a,6a]	3:4:3:	3:4:2:1:	3:3:3:	C[6a,6a]-3:C[6]-4:C[6a]-3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6]O[6]H)(C[6a]C[6a]H)	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6,6]HH)(O[6]C[6])(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6]O[6]H)(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6,6]HH)(O[6]C[6])(H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	120.4000	0.000	1	120.4000	0.000	1	122.4928	2.324	4	120.9991	4.443	8	120.9491	2.197	72	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a,6a]	3:4:3:	3:4:2:1:	3:3:3:	C[6a,6a]-3:C[6]-4:C[6a]-3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6]O[6]H)(C[6a]C[6a]O)	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6a]C[6]H)(O[6]C[6,6a])(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6]O[6]H)(C[6a]C[6a]O){1|C<4>,3|H<1>,5|C<3>}	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6a]C[6]H)(O[6]C[6,6a])(H){1|H<1>,1|O<2>,8|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|O<2>,4|H<1>}	123.1903	0.753	3	123.1903	0.567	3	122.4928	2.324	4	120.9991	4.443	8	120.9491	2.197	72	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a,6a]	3:4:3:	3:4:3:1:	3:3:3:	C[6a,6a]-3:C[6]-4:C[6a]-3:	C[6a]-3:C[6,6]-4:N[6]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6]N[6]H)(C[6a]C[6a]H)	C[6](C[6a]C[6a,6a]C[6a])(C[6,6]C[6,6]C[6]H)(N[6]C[6,6a]H)(H)	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6]N[6]H)(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6](C[6a]C[6a,6a]C[6a])(C[6,6]C[6,6]C[6]H)(N[6]C[6,6a]H)(H){1|C<4>,1|O<2>,4|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]O[6a])(C[6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	120.5540	0.000	2	120.5540	0.000	2	120.5540	0.000	2	120.1008	0.855	4	120.9491	2.197	72	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a,6a]	3:4:3:	3:4:3:1:	3:3:3:	C[6a,6a]-3:C[6]-4:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6]N[6]H)(C[6a]C[6a]H)	C[6](C[6a]C[6a,6a]C[6a])(C[6]B[5]C[6]H)(N[6]C[6,6a]C)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6]N[6]H)(C[6a]C[6a]H){1|B<3>,1|C<4>,3|H<1>,5|C<3>}	C[6](C[6a]C[6a,6a]C[6a])(C[6]B[5]C[6]H)(N[6]C[6,6a]C)(H){2|O<2>,3|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	118.7140	0.000	1	118.7140	0.000	1	119.6475	1.743	2	120.1008	0.855	4	120.9491	2.197	72	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a,6a]	3:4:3:	3:4:3:1:	3:3:3:	C[6a,6a]-3:C[6]-4:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6]N[6]H)(C[6a]C[6a]H)	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)(N[6]C[6]S)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6]N[6]H)(C[6a]C[6a]H){1|C<4>,1|S<4>,4|C<3>,4|H<1>}	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)(N[6]C[6]S)(H){1|C<4>,2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	120.5810	0.000	1	120.5810	0.000	1	119.6475	1.743	2	120.1008	0.855	4	120.9491	2.197	72	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a,6a]	3:4:3:	4:3:2:1:	3:3:3:	C[6a,6a]-3:C[6]-4:C[6a]-3:	C[3x6]-4:C[6a]-3:O[6]-2:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[3x6]O[6]H)(C[6a]C[6a]H)	C[6](C[3x6]C[6,6]N[4x6]H)(C[6a]C[6a,6a]C[6a])(O[6]C[6])(H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[3x6]O[6]H)(C[6a]C[6a]H){1|N<2>,1|N<4>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[3x6]C[6,6]N[4x6]H)(C[6a]C[6a,6a]C[6a])(O[6]C[6])(H){1|O<1>,3|C<3>,3|H<1>,5|C<4>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	120.6810	0.000	1	120.6810	0.000	1	120.6810	0.000	1	120.7200	0.216	3	120.9491	2.197	72	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a,6a]	3:4:3:	4:3:2:1:	3:3:3:	C[6a,6a]-3:C[6]-4:C[6a]-3:	C[5,6,6]-4:C[6a]-3:O[6]-2:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[5,6,6]O[6]H)(C[6a]C[6a]H)	C[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6a]C[6a,6a]C[6a])(O[6]C[6])(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[5,6,6]O[6]H)(C[6a]C[6a]H){3|C<3>,3|C<4>,3|H<1>}	C[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6a]C[6a,6a]C[6a])(O[6]C[6])(H){1|O<2>,3|C<3>,3|C<4>,5|H<1>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	120.2760	0.000	1	120.2760	0.000	1	120.2760	0.000	1	120.7200	0.216	3	120.9491	2.197	72	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a,6a]	3:4:3:	4:3:2:1:	3:3:3:	C[6a,6a]-3:C[6]-4:C[6a]-3:	C[5,6]-4:C[6a]-3:O[6]-2:H-1:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[5,6]O[6]H)(C[6a]C[6a]H)	C[6](C[5,6]C[5,5]C[5,6]N)(C[6a]C[6a,6a]C[6a])(O[6]C[6,6a])(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[5,6]O[6]H)(C[6a]C[6a]H){1|N<3>,2|C<4>,2|H<1>,4|C<3>}	C[6](C[5,6]C[5,5]C[5,6]N)(C[6a]C[6a,6a]C[6a])(O[6]C[6,6a])(H){1|N<3>,2|C<4>,3|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	121.2030	0.000	1	121.2030	0.000	1	121.2030	0.000	1	120.7200	0.216	3	120.9491	2.197	72	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	2:3:4:	3:3:3:1:	3:3:1:	N[6a]-2:C[6a]-3:C[6]-4:	C[6a]-3:N[6]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(C[6]N[6]2H)	C[6](C[6a]C[6a]N[6a])(N[6]C[6,6a]H)(N[6]C[6]N)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]C[6])(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(C[6]N[6]2H){1|N<2>,2|H<1>,4|C<3>}	C[6](C[6a]C[6a]N[6a])(N[6]C[6,6a]H)(N[6]C[6]N)(H){1|H<1>,1|O<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]C[6])(H){1|H<1>,2|C<3>,2|N<3>}	118.3590	0.000	1	118.3590	0.000	1	119.4380	0.873	3	119.4380	0.873	3	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	2:3:4:	3:3:3:1:	3:3:1:	N[6a]-2:C[6a]-3:C[6]-4:	C[6a]-3:N[6]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(C[6]N[6]2H)	C[6](C[6a]C[6a]N[6a])(N[6]C[6,6a]H)(N[6]C[6]S)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]C[6])(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(C[6]N[6]2H){1|C<4>,1|S<4>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]N[6a])(N[6]C[6,6a]H)(N[6]C[6]S)(H){3|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]C[6])(H){1|H<1>,2|C<3>,2|N<3>}	119.9610	0.000	1	119.9610	0.000	1	119.4380	0.873	3	119.4380	0.873	3	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	2:3:4:	3:3:3:1:	3:3:1:	N[6a]-2:C[6a]-3:C[6]-4:	C[6a]-3:N[6]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(C[6]N[6]2H)	C[6](C[6a]C[6a]N[6a])(N[6]C[6]C)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]C[6])(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(C[6]N[6]2H){2|C<3>,2|H<1>,3|C<4>}	C[6](C[6a]C[6a]N[6a])(N[6]C[6]C)(N[6]C[6]H)(H){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]C[6])(H){1|H<1>,2|C<3>,2|N<3>}	119.9940	0.000	1	119.9940	0.000	1	119.4380	0.873	3	119.4380	0.873	3	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	2:3:4:	3:4:4:1:	3:3:1:	N[6a]-2:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(C[6]C[6]2H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2(H)	C[6a](C[6a]C[6a,6a]S)(C[6a]N[6a]C[6])(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(C[6]C[6]2H){1|S<4>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2(H){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a,6a]S)(C[6a]N[6a]C[6])(H){1|H<1>,2|C<3>,2|C<4>}	121.6870	0.000	1	121.6870	0.000	1	121.6870	0.000	1	117.6160	7.466	4	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	2:3:4:	3:4:4:1:	3:3:1:	N[6a]-2:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:N[6a]-3:O-1:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(C[6]C[6]2H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2(H)	C[6a](C[6a]N[6a]C[6])(N[6a]C[6a,6a]C)(O)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(C[6]C[6]2H){2|C<3>,3|C<4>,4|H<1>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,4|H<1>}	C[6a](C[6a]N[6a]C[6])(N[6a]C[6a,6a]C)(O){1|H<1>,2|C<3>,2|C<4>}	116.2590	0.387	3	116.2590	0.150	3	116.2590	0.150	3	117.6160	7.466	4	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	2:3:4:	3:4:4:1:	3:3:3:	N[6a]-2:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6]C[6]2H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2(H)	C[6a](C[6a]C[6a,6a]N[5])(C[6a]N[6a]C[6])(C[6a]C[6a]2)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6]C[6]2H){1|N<3>,2|C<4>,4|C<3>,4|H<1>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2(H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a,6a]N[5])(C[6a]N[6a]C[6])(C[6a]C[6a]2){3|C<4>,3|H<1>,5|C<3>}	121.6180	0.000	1	121.6180	0.000	1	121.6180	0.000	1	121.6180	0.000	1	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:2:2:1:	3:2:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6a]-3:N[6a]-2:H-1:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(C[6]O[6]2H)	C[6](C[6a]C[6a]2)(O[6]C[6])2(H)	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(C[6]O[6]2H){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6a]C[6a]2)(O[6]C[6])2(H){1|C<3>,1|C<4>,1|N<2>,6|H<1>}	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a])(H){1|C<3>,2|O<2>,3|H<1>}	121.2510	0.000	1	121.2510	0.000	1	121.2510	0.000	1	121.2510	0.000	1	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:2:2:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(C[6]O[6]2H)	C[6](C[6a]C[6a,6a]C[6a])(O[6]C[6])2(H)	C[6a](C[6a]C[6a,6a]C[6])(C[6a]C[6a,6a]H)(H)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(C[6]O[6]2H){2|C<4>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a,6a]C[6a])(O[6]C[6])2(H){1|C<4>,3|C<3>,5|H<1>}	C[6a](C[6a]C[6a,6a]C[6])(C[6a]C[6a,6a]H)(H){1|H<1>,2|O<2>,3|C<3>}	119.8845	0.663	2	119.8845	0.439	2	120.3862	0.543	4	120.3376	1.791	305	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:2:2:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6]O[6]2H)	C[6](C[6a]C[6a,6a]C[6a])(O[6]C[6])2(H)	C[6a](C[6a]C[6a,6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6]O[6]2H){2|C<4>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a,6a]C[6a])(O[6]C[6])2(H){1|C<4>,3|C<3>,5|H<1>}	C[6a](C[6a]C[6a,6a]C[6])(C[6a]C[6a]H)(H){2|C<3>,2|H<1>,2|O<2>}	120.8880	0.429	2	120.8880	0.184	2	120.3862	0.543	4	120.3376	1.791	305	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:2:2:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:S[6]-2:S[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(C[6]S[6]2H)	C[6](C[6a]C[6a,6a]C[6a])(S[6]C[6])2(H)	C[6a](C[6a]C[6a,6a]C[6])(C[6a]C[6a,6a]H)(H)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(C[6]S[6]2H){2|C<4>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a,6a]C[6a])(S[6]C[6])2(H){1|C<4>,3|C<3>,5|H<1>}	C[6a](C[6a]C[6a,6a]C[6])(C[6a]C[6a,6a]H)(H){1|H<1>,2|S<2>,3|C<3>}	120.8090	0.000	1	120.8090	0.000	1	120.8090	0.000	1	120.3376	1.791	305	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:2:2:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(C[6]O[6]2H)	C[6](C[6a]C[6a]2)(O[6]C[6])2(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C[6])(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(C[6]O[6]2H){1|O<2>,2|C<3>,2|C<4>}	C[6](C[6a]C[6a]2)(O[6]C[6])2(H){2|C<3>,2|H<1>,5|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C[6])(H){1|C<4>,1|H<1>,1|O<1>,2|O<2>,3|C<3>}	119.9670	0.000	1	119.9670	0.000	1	119.9670	0.000	1	120.3376	1.791	305	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:2:2:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(C[6]O[6]2H)	C[6](C[6a]C[6a]2)(O[6]C[6])2(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(C[6]O[6]2H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6a]C[6a]2)(O[6]C[6])2(H){1|C<4>,2|C<3>,6|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])(H){2|O<2>,3|C<3>,3|H<1>}	120.1460	0.000	1	120.1460	0.000	1	120.1460	0.000	1	120.3376	1.791	305	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:2:2:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]O[6]2H)	C[6](C[6a]C[6a]2)(O[6]C[6])2(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]O[6]2H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6a]C[6a]2)(O[6]C[6])2(H){1|Cl<1>,1|C<4>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl){1|C<3>,2|O<2>,3|H<1>}	121.6370	1.575	2	122.2043	2.207	3	122.2043	2.207	3	120.3376	1.791	305	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:2:2:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]O[6]2H)	C[6](C[6a]C[6a]2)(O[6]C[6])2(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]O[6]2H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6a]C[6a]2)(O[6]C[6])2(H){1|Cl<1>,1|C<4>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,2|H<1>,2|O<2>}	123.3390	0.000	1	122.2043	2.207	3	122.2043	2.207	3	120.3376	1.791	305	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:2:2:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)2(C[6]O[6]2H)	C[6](C[6a]C[6a]2)(O[6]C[6])2(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(F)	C[6a](C[6a]C[6a]F)2(C[6]O[6]2H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6a]C[6a]2)(O[6]C[6])2(H){1|C<4>,2|C<3>,2|F<1>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(F){1|C<3>,1|F<1>,2|H<1>,2|O<2>}	122.5460	0.652	2	122.5460	0.425	2	122.5460	0.425	2	120.3376	1.791	305	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:2:2:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(C[6]O[6]2H)	C[6](C[6a]C[6a]2)(O[6]C[6])2(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(C[6]O[6]2H){1|N<2>,2|C<3>,2|C<4>,2|O<2>}	C[6](C[6a]C[6a]2)(O[6]C[6])2(H){1|C<4>,3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H){2|C<3>,2|H<1>,2|O<2>}	120.3190	0.573	2	120.3190	0.328	2	120.2760	1.774	267	120.3376	1.791	305	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:2:2:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(C[6]O[6]2H)	C[6](C[6a]C[6a]2)(O[6]C[6])2(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6,6a]O)(H)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(C[6]O[6]2H){1|O<2>,2|C<3>,2|C<4>}	C[6](C[6a]C[6a]2)(O[6]C[6])2(H){1|O<2>,2|C<3>,2|H<1>,4|C<4>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6,6a]O)(H){1|H<1>,2|C<3>,3|O<2>}	121.5315	0.380	2	121.5315	0.144	2	120.2760	1.774	267	120.3376	1.791	305	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:2:2:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(C[6]O[6]2H)	C[6](C[6a]C[6a]2)(O[6]C[6])2(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C[6])(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(C[6]O[6]2H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6a]C[6a]2)(O[6]C[6])2(H){1|C<4>,2|C<3>,6|H<1>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C[6])(H){2|C<3>,2|H<1>,2|O<2>}	119.6310	0.000	1	119.6310	0.000	1	120.2760	1.774	267	120.3376	1.791	305	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:2:2:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[6]O[6]2H)	C[6](C[6a]C[6a]2)(O[6]C[6])2(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[6]O[6]2H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[6a]C[6a]2)(O[6]C[6])2(H){1|C<4>,3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,3|O<2>}	121.4320	0.000	1	121.0625	0.273	2	120.2760	1.774	267	120.3376	1.791	305	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:2:2:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[6]O[6]2H)	C[6](C[6a]C[6a]2)(O[6]C[6])2(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[6]O[6]2H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6a]C[6a]2)(O[6]C[6])2(H){2|C<3>,2|C<4>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	120.6930	0.000	1	121.0625	0.273	2	120.2760	1.774	267	120.3376	1.791	305	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:2:2:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[6]O[6]2H)	C[6](C[6a]C[6a]2)(O[6]C[6])2(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[6]O[6]2H){1|C<3>,2|C<4>,2|O<2>}	C[6](C[6a]C[6a]2)(O[6]C[6])2(H){1|C<2>,1|C<4>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H){1|C<2>,1|C<3>,2|H<1>,2|O<2>}	120.1070	0.361	2	120.1070	0.130	2	120.2760	1.774	267	120.3376	1.791	305	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:2:2:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(C[6]O[6]2H)	C[6](C[6a]C[6a]2)(O[6]C[6])2(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(C[6]O[6]2H){1|C<3>,1|N<2>,2|O<2>,3|C<4>}	C[6](C[6a]C[6a]2)(O[6]C[6])2(H){1|C<4>,3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H){2|C<3>,2|H<1>,2|O<2>}	117.1130	0.001	2	117.1130	0.000	2	120.2760	1.774	267	120.3376	1.791	305	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:2:2:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]2H)	C[6](C[6a]C[6a]2)(O[6]C[6])2(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]2H){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[6](C[6a]C[6a]2)(O[6]C[6])2(H){2|C<3>,2|C<4>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	119.7980	0.075	2	119.7980	0.006	2	120.2760	1.774	267	120.3376	1.791	305	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:2:2:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]O[6]2H)	C[6](C[6a]C[6a]2)(O[6]C[6])2(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]O[6]2H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6a]C[6a]2)(O[6]C[6])2(H){1|Cl<1>,1|C<4>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,2|H<1>,2|O<2>}	120.4255	1.462	2	120.0770	1.432	3	120.2760	1.774	267	120.3376	1.791	305	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:2:2:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]O[6]2H)	C[6](C[6a]C[6a]2)(O[6]C[6])2(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]O[6]2H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6a]C[6a]2)(O[6]C[6])2(H){1|Cl<1>,1|C<4>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|Cl<1>,1|C<3>,1|H<1>,2|O<2>}	119.3800	0.000	1	120.0770	1.432	3	120.2760	1.774	267	120.3376	1.791	305	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:2:2:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[6]O[6]2H)	C[6](C[6a]C[6a]2)(O[6]C[6])2(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[6]O[6]2H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6a]C[6a]2)(O[6]C[6])2(H){1|C<4>,1|N<2>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,2|H<1>,2|O<2>}	119.8910	0.000	1	120.3605	0.441	2	120.2760	1.774	267	120.3376	1.791	305	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:2:2:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[6]O[6]2H)	C[6](C[6a]C[6a]2)(O[6]C[6])2(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[6]O[6]2H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6a]C[6a]2)(O[6]C[6])2(H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|H<1>,2|O<2>}	120.8300	0.000	1	120.3605	0.441	2	120.2760	1.774	267	120.3376	1.791	305	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:2:2:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]O[6]2H)	C[6](C[6a]C[6a]2)(O[6]C[6])2(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]O[6]2H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6a]C[6a]2)(O[6]C[6])2(H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|O<2>}	120.7140	0.000	1	120.7140	0.000	1	120.2760	1.774	267	120.3376	1.791	305	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:2:2:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(C[6]O[6]2H)	C[6](C[6a]C[6a]2)(O[6]C[6])2(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(C[6]O[6]2H){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6a]C[6a]2)(O[6]C[6])2(H){1|C<3>,1|C<4>,1|N<2>,6|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<2>,2|O<2>,3|H<1>}	121.3300	0.000	1	121.3300	0.000	1	120.2760	1.774	267	120.3376	1.791	305	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:2:2:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]O[6]2H)	C[6](C[6a]C[6a]2)(O[6]C[5,6])(O[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Br)(H)	C[6a](C[6a]C[6a]H)2(C[6]O[6]2H){1|Br<1>,1|C<3>,1|H<1>,2|C<4>}	C[6](C[6a]C[6a]2)(O[6]C[5,6])(O[6]C[6])(H){2|C<3>,3|H<1>,4|C<4>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Br)(H){1|C<3>,2|O<2>,3|H<1>}	120.3460	0.000	1	120.3460	0.000	1	120.2760	1.774	267	120.3376	1.791	305	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:2:2:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]O[6]2H)	C[6](C[6a]C[6a]2)(O[6]C[5,6])(O[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]O[6]2H){1|Br<1>,1|C<3>,1|H<1>,2|C<4>}	C[6](C[6a]C[6a]2)(O[6]C[5,6])(O[6]C[6])(H){2|C<3>,3|H<1>,4|C<4>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|O<2>,3|H<1>}	119.6400	0.000	1	120.3065	1.375	39	120.2760	1.774	267	120.3376	1.791	305	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:2:2:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]O[6]2H)	C[6](C[6a]C[6a]2)(O[6]C[5,6])(O[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]O[6]2H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6a]C[6a]2)(O[6]C[5,6])(O[6]C[6])(H){2|C<3>,2|C<4>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,2|H<1>,2|O<2>}	120.3125	0.067	2	120.3065	1.375	39	120.2760	1.774	267	120.3376	1.791	305	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:2:2:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]O[6]2H)	C[6](C[6a]C[6a]2)(O[6]C[5,6])(O[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]O[6]2H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6a]C[6a]2)(O[6]C[5,6])(O[6]C[6])(H){2|C<3>,2|C<4>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|O<2>,3|H<1>}	120.2548	0.887	22	120.3065	1.375	39	120.2760	1.774	267	120.3376	1.791	305	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:2:2:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]O[6]2H)	C[6](C[6a]C[6a]2)(O[6]C[5,6])(O[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]O[6]2H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6a]C[6a]2)(O[6]C[5,6])(O[6]C[6])(H){2|C<3>,3|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	120.4558	1.687	12	120.3065	1.375	39	120.2760	1.774	267	120.3376	1.791	305	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:2:2:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]O[6]2H)	C[6](C[6a]C[6a]2)(O[6]C[5,6])(O[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]O[6]2H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6a]C[6a]2)(O[6]C[5,6])(O[6]C[6])(H){2|C<3>,3|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|O<2>,3|H<1>}	120.3060	1.908	2	120.3065	1.375	39	120.2760	1.774	267	120.3376	1.791	305	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:2:2:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]O[6]2H)	C[6](C[6a]C[6a]2)(O[6]C[5a,6])(O[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]O[6]2H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(O[6]C[5a,6])(O[6]C[6])(H){1|N<3>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,2|H<1>,2|O<2>}	120.3815	2.931	2	120.3815	8.591	2	120.2760	1.774	267	120.3376	1.791	305	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:2:2:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]O[6]2H)	C[6](C[6a]C[6a]2)(O[6]C[6,6])(O[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]O[6]2H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6a]C[6a]2)(O[6]C[6,6])(O[6]C[6])(H){1|C<4>,3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|O<2>}	120.4442	1.438	4	120.2524	1.881	140	120.2760	1.774	267	120.3376	1.791	305	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:2:2:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]O[6]2H)	C[6](C[6a]C[6a]2)(O[6]C[6,6])(O[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]O[6]2H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6a]C[6a]2)(O[6]C[6,6])(O[6]C[6])(H){1|C<4>,3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|O<2>,3|H<1>}	120.4108	2.023	6	120.2524	1.881	140	120.2760	1.774	267	120.3376	1.791	305	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:2:2:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]O[6]2H)	C[6](C[6a]C[6a]2)(O[6]C[6,6])(O[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]O[6]2H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6a]C[6a]2)(O[6]C[6,6])(O[6]C[6])(H){2|C<3>,2|C<4>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|O<2>,3|H<1>}	120.2315	1.357	126	120.2524	1.881	140	120.2760	1.774	267	120.3376	1.791	305	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:2:2:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]O[6]2H)	C[6](C[6a]C[6a]2)(O[6]C[6,6])(O[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]O[6]2H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6a]C[6a]2)(O[6]C[6,6])(O[6]C[6])(H){2|C<3>,3|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|O<2>,3|H<1>}	120.4813	1.157	4	120.2524	1.881	140	120.2760	1.774	267	120.3376	1.791	305	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:2:2:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]O[6]2H)	C[6](C[6a]C[6a]2)(O[6]C[6,6])(O[6]O[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]O[6]2H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6a]C[6a]2)(O[6]C[6,6])(O[6]O[6])(H){2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,2|H<1>,2|O<2>}	120.3340	0.566	2	120.3340	0.320	2	120.2760	1.774	267	120.3376	1.791	305	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:2:2:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]O[6]2H)	C[6](C[6a]C[6a]2)(O[6]C[6,6])2(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]O[6]2H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6a]C[6a]2)(O[6]C[6,6])2(H){2|C<3>,3|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|O<2>,3|H<1>}	120.3115	0.820	2	120.2901	4.895	8	120.2760	1.774	267	120.3376	1.791	305	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:2:2:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]O[6]2H)	C[6](C[6a]C[6a]2)(O[6]C[6,6])2(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]O[6]2H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6a]C[6a]2)(O[6]C[6,6])2(H){2|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|O<2>,3|H<1>}	120.2830	2.592	6	120.2901	4.895	8	120.2760	1.774	267	120.3376	1.791	305	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:2:2:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]O[6]2H)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(O[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]O[6]2H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(O[6]C[6])(H){4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|O<2>,3|H<1>}	120.4955	1.505	6	120.4955	2.264	6	120.2760	1.774	267	120.3376	1.791	305	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:2:2:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]O[6]2H)	C[6](C[6a]C[6a]2)(O[6]C[6])(O[6]O[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]O[6]2H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6a]C[6a]2)(O[6]C[6])(O[6]O[6])(H){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|H<1>,2|O<2>}	119.5170	1.476	2	119.5170	2.180	2	120.2760	1.774	267	120.3376	1.791	305	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:2:2:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]O[6]2H)	C[6](C[6a]C[6a]2)(O[6]C[6])2(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Cl)(H)	C[6a](C[6a]C[6a]H)2(C[6]O[6]2H){1|Cl<1>,1|C<3>,1|H<1>,2|C<4>}	C[6](C[6a]C[6a]2)(O[6]C[6])2(H){1|C<4>,2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Cl)(H){1|C<3>,2|O<2>,3|H<1>}	118.3825	1.183	2	118.3825	1.399	2	120.2760	1.774	267	120.3376	1.791	305	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:2:2:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]O[6]2H)	C[6](C[6a]C[6a]2)(O[6]C[6])2(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]O[6]2H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[6a]C[6a]2)(O[6]C[6])2(H){2|C<3>,3|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|O<2>}	121.9210	0.000	1	120.5227	1.227	44	120.2760	1.774	267	120.3376	1.791	305	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:2:2:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]O[6]2H)	C[6](C[6a]C[6a]2)(O[6]C[6])2(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]O[6]2H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6a]C[6a]2)(O[6]C[6])2(H){1|C<4>,2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|O<2>,3|H<1>}	120.6489	0.906	9	120.5227	1.227	44	120.2760	1.774	267	120.3376	1.791	305	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:2:2:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]O[6]2H)	C[6](C[6a]C[6a]2)(O[6]C[6])2(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]O[6]2H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6a]C[6a]2)(O[6]C[6])2(H){1|C<4>,2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|C<3>,2|H<1>,2|O<2>}	120.1797	1.507	12	120.5227	1.227	44	120.2760	1.774	267	120.3376	1.791	305	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:2:2:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]O[6]2H)	C[6](C[6a]C[6a]2)(O[6]C[6])2(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]O[6]2H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6a]C[6a]2)(O[6]C[6])2(H){1|P<4>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|O<2>,3|H<1>}	120.2645	1.756	2	120.5227	1.227	44	120.2760	1.774	267	120.3376	1.791	305	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:2:2:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]O[6]2H)	C[6](C[6a]C[6a]2)(O[6]C[6])2(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]O[6]2H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6a]C[6a]2)(O[6]C[6])2(H){2|C<3>,2|C<4>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|O<2>,3|H<1>}	120.4594	0.703	16	120.5227	1.227	44	120.2760	1.774	267	120.3376	1.791	305	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:2:2:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]O[6]2H)	C[6](C[6a]C[6a]2)(O[6]C[6])2(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]O[6]2H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6a]C[6a]2)(O[6]C[6])2(H){2|C<3>,3|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|O<2>}	120.6405	1.275	2	120.5227	1.227	44	120.2760	1.774	267	120.3376	1.791	305	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:2:2:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]O[6]2H)	C[6](C[6a]C[6a]2)(O[6]C[6])2(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]O[6]2H){1|Cl<1>,1|C<3>,1|H<1>,2|C<4>}	C[6](C[6a]C[6a]2)(O[6]C[6])2(H){1|C<4>,2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|O<2>,3|H<1>}	121.9590	1.097	2	120.5227	1.227	44	120.2760	1.774	267	120.3376	1.791	305	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:2:2:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]O[6]2H)	C[6](C[6a]C[6a]2)(O[6]C[6])2(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]H)2(C[6]O[6]2H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[6a]C[6a]2)(O[6]C[6])2(H){2|C<3>,3|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,2|H<1>,3|O<2>}	118.0490	0.000	1	118.0490	0.000	1	120.2760	1.774	267	120.3376	1.791	305	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:2:2:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:S[6]-2:S[6]-2:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(C[6]S[6]2H)	C[6](C[6a]C[6a]2)(S[6]C[6])2(H)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[6])(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(C[6]S[6]2H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[6a]C[6a]2)(S[6]C[6])2(H){1|C<4>,2|C<3>,6|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[6])(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>,2|S<2>}	120.2235	0.192	2	120.2235	0.037	2	120.2235	0.037	2	120.3376	1.791	305	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:2:2:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:S[6]-2:S[6]-2:H-1:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)2(C[6]S[6]2H)	C[6](C[6a]C[6a]2)(S[6]C[6])2(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(F)	C[6a](C[6a]C[6a]F)2(C[6]S[6]2H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6a]C[6a]2)(S[6]C[6])2(H){1|C<4>,2|C<3>,2|F<1>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(F){1|C<3>,1|F<1>,2|H<1>,2|S<2>}	122.8900	3.224	2	122.8900	10.397	2	122.8900	10.397	2	120.3376	1.791	305	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:2:2:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:S[6]-2:S[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(C[6]S[6]2H)	C[6](C[6a]C[6a]2)(S[6]C[6])2(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[5,6a]H)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(C[6]S[6]2H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[6a]C[6a]2)(S[6]C[6])2(H){1|C<4>,2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[5,6a]H)(H){1|C<3>,1|O<2>,2|H<1>,2|S<2>}	119.6220	0.007	2	119.6220	0.000	2	120.4033	1.004	22	120.3376	1.791	305	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:2:2:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:S[6]-2:S[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[6]S[6]2H)	C[6](C[6a]C[6a]2)(S[6]C[6])2(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[6]S[6]2H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6a]C[6a]2)(S[6]C[6])2(H){1|C<4>,3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|C<3>,2|H<1>,2|S<2>}	119.7880	0.000	1	119.7880	0.000	1	120.4033	1.004	22	120.3376	1.791	305	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:2:2:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:S[6]-2:S[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[6]S[6]2H)	C[6](C[6a]C[6a]2)(S[6]C[6])2(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[6]S[6]2H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6a]C[6a]2)(S[6]C[6])2(H){1|C<4>,1|N<2>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,2|H<1>,2|S<2>}	119.3510	0.000	1	120.1711	0.543	7	120.4033	1.004	22	120.3376	1.791	305	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:2:2:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:S[6]-2:S[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[6]S[6]2H)	C[6](C[6a]C[6a]2)(S[6]C[6])2(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[6]S[6]2H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6a]C[6a]2)(S[6]C[6])2(H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|H<1>,2|S<2>}	120.3078	0.703	6	120.1711	0.543	7	120.4033	1.004	22	120.3376	1.791	305	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:2:2:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:S[6]-2:S[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]S[6]2H)	C[6](C[6a]C[6a]2)(S[6]C[6,6a])(S[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]S[6]2H){1|Br<1>,1|C<4>,1|H<1>,2|C<3>}	C[6](C[6a]C[6a]2)(S[6]C[6,6a])(S[6]C[6])(H){1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|H<1>,2|S<2>}	121.1590	0.000	1	121.1590	0.000	1	120.4033	1.004	22	120.3376	1.791	305	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:2:2:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:S[6]-2:S[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]S[6]2H)	C[6](C[6a]C[6a]2)(S[6]C[6])2(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]S[6]2H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6a]C[6a]2)(S[6]C[6])2(H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|H<1>,2|S<2>}	121.8790	0.000	1	121.8790	0.000	1	120.4033	1.004	22	120.3376	1.791	305	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:2:2:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:S[6]-2:S[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]S[6]2H)	C[6](C[6a]C[6a]2)(S[6]C[6])2(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Br)(H)	C[6a](C[6a]C[6a]H)2(C[6]S[6]2H){1|Br<1>,1|C<3>,1|H<1>,2|C<4>}	C[6](C[6a]C[6a]2)(S[6]C[6])2(H){1|C<4>,2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Br)(H){1|C<3>,2|S<2>,3|H<1>}	119.2380	0.000	1	119.2380	0.000	1	120.4033	1.004	22	120.3376	1.791	305	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:2:2:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:S[6]-2:S[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]S[6]2H)	C[6](C[6a]C[6a]2)(S[6]C[6])2(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H)	C[6a](C[6a]C[6a]H)2(C[6]S[6]2H){1|C<3>,1|H<1>,3|C<4>}	C[6](C[6a]C[6a]2)(S[6]C[6])2(H){1|C<4>,2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H){1|Cl<1>,1|C<3>,2|H<1>,2|S<2>}	122.6660	0.000	1	122.6660	0.000	1	120.4033	1.004	22	120.3376	1.791	305	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:2:2:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:S[6]-2:S[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]S[6]2H)	C[6](C[6a]C[6a]2)(S[6]C[6])2(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]S[6]2H){1|Br<1>,1|C<3>,1|H<1>,2|C<4>}	C[6](C[6a]C[6a]2)(S[6]C[6])2(H){1|C<4>,2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|S<2>,3|H<1>}	121.5140	0.000	1	120.4619	1.099	7	120.4033	1.004	22	120.3376	1.791	305	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:2:2:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:S[6]-2:S[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]S[6]2H)	C[6](C[6a]C[6a]2)(S[6]C[6])2(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]S[6]2H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[6](C[6a]C[6a]2)(S[6]C[6])2(H){1|C<4>,2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|S<2>,3|H<1>}	120.4020	0.000	1	120.4619	1.099	7	120.4033	1.004	22	120.3376	1.791	305	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:2:2:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:S[6]-2:S[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]S[6]2H)	C[6](C[6a]C[6a]2)(S[6]C[6])2(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]S[6]2H){1|C<3>,1|H<1>,3|C<4>}	C[6](C[6a]C[6a]2)(S[6]C[6])2(H){1|C<4>,2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,2|H<1>,2|S<2>}	118.5350	0.000	1	120.4619	1.099	7	120.4033	1.004	22	120.3376	1.791	305	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:2:2:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:S[6]-2:S[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]S[6]2H)	C[6](C[6a]C[6a]2)(S[6]C[6])2(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]S[6]2H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6a]C[6a]2)(S[6]C[6])2(H){1|C<4>,2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|H<1>,2|S<2>}	120.1760	0.686	2	120.4619	1.099	7	120.4033	1.004	22	120.3376	1.791	305	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:2:2:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:S[6]-2:S[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]S[6]2H)	C[6](C[6a]C[6a]2)(S[6]C[6])2(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]S[6]2H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6a]C[6a]2)(S[6]C[6])2(H){1|C<4>,2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|H<1>,2|S<2>}	121.2150	0.024	2	120.4619	1.099	7	120.4033	1.004	22	120.3376	1.791	305	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:2:2:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:S[6]-2:S[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]S[6]2H)	C[6](C[6a]C[6a]2)(S[6]C[6])2(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]N)(H)	C[6a](C[6a]C[6a]H)2(C[6]S[6]2H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[6](C[6a]C[6a]2)(S[6]C[6])2(H){1|C<4>,2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]N)(H){1|C<3>,2|S<2>,3|H<1>}	120.4670	0.000	1	120.4670	0.000	1	120.4033	1.004	22	120.3376	1.791	305	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:2:2:1:	3:3:2:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6,6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(C[6]O[6]2H)	C[6](C[6a]C[6a]2)(O[6]C[6])2(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C[6])(OC)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(C[6]O[6]2H){1|O<2>,2|C<3>,2|C<4>}	C[6](C[6a]C[6a]2)(O[6]C[6])2(H){1|O<2>,2|C<3>,2|H<1>,4|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C[6])(OC){1|O<1>,2|H<1>,2|O<2>,3|C<3>}	118.4360	0.492	2	118.4360	0.242	2	118.4360	0.242	2	120.0216	1.469	14	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:2:2:1:	3:3:2:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6a]-3:C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[6]O[6]2H)	C[6](C[6a]C[6a]2)(O[6]C[6])2(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[6]O[6]2H){1|C<3>,2|C<4>,2|O<2>}	C[6](C[6a]C[6a]2)(O[6]C[6])2(H){1|C<2>,1|C<4>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(CN){1|C<3>,2|O<2>,3|H<1>}	119.4210	0.485	2	119.4210	0.235	2	120.2037	1.955	3	120.0216	1.469	14	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:2:2:1:	3:3:2:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6a]-3:C[6a]-3:C-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(C[6]O[6]2H)	C[6](C[6a]C[6a]2)(O[6]C[6])2(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(C[6]O[6]2H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[6a]C[6a]2)(O[6]C[6])2(H){1|C<2>,1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(CN){1|C<3>,2|H<1>,3|O<2>}	121.7690	0.000	1	121.7690	0.000	1	120.2037	1.955	3	120.0216	1.469	14	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:2:2:1:	3:3:2:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6a]-3:C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[6]O[6]2H)	C[6](C[6a]C[6a]2)(O[6]C[6])2(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[6]O[6]2H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6a]C[6a]2)(O[6]C[6])2(H){1|C<4>,1|N<2>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NC){1|C<3>,2|O<2>,3|H<1>}	120.9050	0.000	1	120.9050	0.000	1	120.9050	0.000	1	120.0216	1.469	14	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:2:2:1:	3:3:2:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O)(C[6]O[6]2H)	C[6](C[6a]C[6a]2)(O[6]C[6])2(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O)(C[6]O[6]2H){1|H<1>,1|N<2>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6a]C[6a]2)(O[6]C[6])2(H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){2|C<3>,2|H<1>,2|O<2>}	118.8710	0.000	1	118.8710	0.000	1	120.2534	1.087	5	120.0216	1.469	14	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:2:2:1:	3:3:2:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(C[6]O[6]2H)	C[6](C[6a]C[6a]2)(O[6]C[6])2(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(C[6]O[6]2H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[6a]C[6a]2)(O[6]C[6])2(H){1|C<2>,1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|C<2>,1|C<3>,2|H<1>,2|O<2>}	119.7280	0.000	1	119.7280	0.000	1	120.2534	1.087	5	120.0216	1.469	14	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:2:2:1:	3:3:2:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]O[6]2H)	C[6](C[6a]C[6a]2)(O[6]C[6])2(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]O[6]2H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6a]C[6a]2)(O[6]C[6])2(H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,2|O<2>,3|H<1>}	120.9280	0.000	1	120.9280	0.000	1	120.2534	1.087	5	120.0216	1.469	14	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:2:2:1:	3:3:2:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]O)2(C[6]O[6]2H)	C[6](C[6a]C[6a]2)(O[6]C[6,6])(O[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]O)2(C[6]O[6]2H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6a]C[6a]2)(O[6]C[6,6])(O[6]C[6])(H){2|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>,3|O<2>}	120.8700	0.973	2	120.8700	0.947	2	120.2534	1.087	5	120.0216	1.469	14	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:2:2:1:	3:3:2:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:S[6]-2:S[6]-2:H-1:	C[6a]-3:C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[6]S[6]2H)	C[6](C[6a]C[6a]2)(S[6]C[6])2(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[6]S[6]2H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6a]C[6a]2)(S[6]C[6])2(H){1|C<4>,1|N<2>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NN){1|C<3>,2|S<2>,3|H<1>}	121.8360	0.000	1	121.8360	0.000	1	121.8360	0.000	1	120.0216	1.469	14	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:2:2:1:	3:3:2:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:S[6]-2:S[6]-2:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]S[6]2H)	C[6](C[6a]C[6a]2)(S[6]C[6,6a])(S[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Br)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]S[6]2H){1|Br<1>,1|C<4>,1|H<1>,2|C<3>}	C[6](C[6a]C[6a]2)(S[6]C[6,6a])(S[6]C[6])(H){1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Br)(OH){1|C<3>,2|S<2>,3|H<1>}	118.9810	0.000	1	118.9810	0.000	1	119.4055	0.360	2	120.0216	1.469	14	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:2:2:1:	3:3:2:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:S[6]-2:S[6]-2:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]S[6]2H)	C[6](C[6a]C[6a]2)(S[6]C[6])2(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]S[6]2H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6a]C[6a]2)(S[6]C[6])2(H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH){1|C<3>,2|S<2>,3|H<1>}	119.8300	0.000	1	119.8300	0.000	1	119.4055	0.360	2	120.0216	1.469	14	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:2:2:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(C[6]O[6]2H)	C[6](C[6a]C[6a]2)(O[6]C[6])2(H)	C[6a](C[5]C[5,6]N[5])(C[6a]C[6a]C[6])(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(C[6]O[6]2H){1|C<3>,1|N<2>,2|O<2>,3|C<4>}	C[6](C[6a]C[6a]2)(O[6]C[6])2(H){1|C<4>,3|C<3>,5|H<1>}	C[6a](C[5]C[5,6]N[5])(C[6a]C[6a]C[6])(C[6a]C[6a]O){1|C<3>,2|C<4>,3|O<2>,4|H<1>}	122.3250	0.000	1	121.9550	0.274	2	121.9550	0.274	2	121.2969	1.713	14	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:2:2:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(C[6]O[6]2H)	C[6](C[6a]C[6a]2)(O[6]C[6])2(H)	C[6a](C[5]C[5,6]N[5])(C[6a]C[6a]C[6])(C[6a]C[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(C[6]O[6]2H){1|C<3>,1|N<2>,2|O<2>,3|C<4>}	C[6](C[6a]C[6a]2)(O[6]C[6])2(H){1|C<4>,3|C<3>,5|H<1>}	C[6a](C[5]C[5,6]N[5])(C[6a]C[6a]C[6])(C[6a]C[6a]O){1|C<4>,2|C<3>,3|O<2>,4|H<1>}	121.5850	0.000	1	121.9550	0.274	2	121.9550	0.274	2	121.2969	1.713	14	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:2:2:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(C[6]O[6]2H)	C[6](C[6a]C[6a]2)(O[6]C[6])2(H)	C[6a](C[5a]C[5a,6]N[5a])(C[6a]C[6a]C[6])(C[6a]C[6a]O)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(C[6]O[6]2H){1|N<2>,2|C<3>,2|C<4>,2|O<2>}	C[6](C[6a]C[6a]2)(O[6]C[6])2(H){1|C<4>,3|C<3>,5|H<1>}	C[6a](C[5a]C[5a,6]N[5a])(C[6a]C[6a]C[6])(C[6a]C[6a]O){3|C<3>,3|H<1>,3|O<2>}	119.0870	0.014	2	119.0870	0.000	2	120.0643	2.866	3	121.2969	1.713	14	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:2:2:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O)(C[6]O[6]2H)	C[6](C[6a]C[6a]2)(O[6]C[6])2(H)	C[6a](C[5a]C[5a,6]N[5a])(C[6a]C[6a]C[6])(C[6a]C[6a]O)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O)(C[6]O[6]2H){1|H<1>,1|N<2>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6a]C[6a]2)(O[6]C[6])2(H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[6a](C[5a]C[5a,6]N[5a])(C[6a]C[6a]C[6])(C[6a]C[6a]O){2|H<1>,3|C<3>,4|O<2>}	122.0190	0.000	1	122.0190	0.000	1	120.0643	2.866	3	121.2969	1.713	14	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:2:2:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[6]O[6]2H)	C[6](C[6a]C[6a]2)(O[6]C[6])2(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(COO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[6]O[6]2H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[6a]C[6a]2)(O[6]C[6])2(H){1|C<4>,3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(COO){1|C<3>,2|H<1>,3|O<2>}	119.7740	0.000	1	119.7740	0.000	1	119.7740	0.000	1	121.2969	1.713	14	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:2:2:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[6]O[6]2H)	C[6](C[6a]C[6a]2)(O[6]C[6])2(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[6]O[6]2H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6a]C[6a]2)(O[6]C[6])2(H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NOO){1|C<3>,2|O<2>,3|H<1>}	123.0000	0.000	1	123.0000	0.000	1	123.0000	0.000	1	121.2969	1.713	14	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:2:2:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:S[6]-2:S[6]-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[6]S[6]2H)	C[6](C[6a]C[6a]2)(S[6]C[6])2(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CHO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[6]S[6]2H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6a]C[6a]2)(S[6]C[6])2(H){1|C<4>,3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CHO){1|C<3>,2|S<2>,3|H<1>}	121.8040	0.000	1	121.8040	0.000	1	121.8040	0.000	1	121.2969	1.713	14	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:2:2:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:S[6]-2:S[6]-2:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[6]S[6]2H)	C[6](C[6a]C[6a]2)(S[6]C[6])2(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[6]S[6]2H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6a]C[6a]2)(S[6]C[6])2(H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NCC){1|C<3>,2|S<2>,3|H<1>}	121.7040	0.371	4	121.7040	0.137	4	121.5792	0.978	6	121.2969	1.713	14	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:2:2:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:S[6]-2:S[6]-2:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[6]S[6]2H)	C[6](C[6a]C[6a]2)(S[6]C[6])2(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[6]S[6]2H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6a]C[6a]2)(S[6]C[6])2(H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NCH){1|C<3>,2|S<2>,3|H<1>}	119.8650	0.000	1	119.8650	0.000	1	121.5792	0.978	6	121.2969	1.713	14	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:2:2:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:S[6]-2:S[6]-2:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[6]S[6]2H)	C[6](C[6a]C[6a]2)(S[6]C[6])2(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NNO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[6]S[6]2H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6a]C[6a]2)(S[6]C[6])2(H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NNO){1|C<3>,2|S<2>,3|H<1>}	122.7940	0.000	1	122.7940	0.000	1	121.5792	0.978	6	121.2969	1.713	14	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:2:2:1:	3:3:4:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(C[6]O[6]2H)	C[6](C[6a]C[6a]2)(O[6]C[6])2(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6,6a]O)(CCHH)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(C[6]O[6]2H){1|O<2>,2|C<3>,2|C<4>}	C[6](C[6a]C[6a]2)(O[6]C[6])2(H){2|C<3>,2|H<1>,5|C<4>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6,6a]O)(CCHH){2|C<3>,2|H<1>,2|O<2>}	119.0360	0.000	1	119.0360	0.000	1	119.4450	0.335	2	120.2028	1.191	4	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:2:2:1:	3:3:4:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[6]O[6]2H)	C[6](C[6a]C[6a]2)(O[6]C[6])2(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[6]O[6]2H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6a]C[6a]2)(O[6]C[6])2(H){2|C<3>,2|C<4>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CCHH){1|C<3>,2|O<2>,3|H<1>}	119.8540	0.000	1	119.8540	0.000	1	119.4450	0.335	2	120.2028	1.191	4	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:2:2:1:	3:3:4:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]2H)	C[6](C[6a]C[6a]2)(O[6]C[6])2(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]2H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]2H){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[6](C[6a]C[6a]2)(O[6]C[6])2(H){2|C<3>,2|C<4>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]2H){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	120.9605	0.971	2	120.9605	0.943	2	120.9605	0.943	2	120.2028	1.191	4	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:2:2:2:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:S[6]-2:S[6]-2:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]S[6]2O)	C[6](C[6a]C[6a]2)(S[6]C[5a,6])(S[6]C[6])(OC)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]S[6]2O){2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(S[6]C[5a,6])(S[6]C[6])(OC){1|S<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|H<1>,2|S<2>}	120.6112	2.742	4	120.6112	7.516	4	120.6908	4.828	6	120.6908	4.828	6	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:2:2:2:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:S[6]-2:S[6]-2:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]S[6]2O)	C[6](C[6a]C[6a]2)(S[6]C[6])2(OC)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]S[6]2O){2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(S[6]C[6])2(OC){2|H<1>,2|S<2>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|O<2>,2|S<2>}	120.8500	1.232	2	120.8500	1.517	2	120.6908	4.828	6	120.6908	4.828	6	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:2:2:3:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:O[6]-2:O[6]-2:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]O[6]2C)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(O[6]C[6])(CCH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]O[6]2C){2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(O[6]C[6])(CCH){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|C<3>,2|H<1>,2|O<2>}	120.3385	1.782	4	120.3385	3.174	4	120.3385	3.174	4	120.3385	3.174	4	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:2:2:4:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:O[6]-2:O[6]-2:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]O[6]2C)	C[6](C[6a]C[6a]2)(O[6]C[6])2(CF3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]O[6]2C){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6a]C[6a]2)(O[6]C[6])2(CF3){2|C<3>,3|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	120.1485	0.539	4	120.1485	0.291	4	120.3291	0.789	28	120.4484	0.922	36	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:2:2:4:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:O[6]-2:O[6]-2:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]O[6]2C)	C[6](C[6a]C[6a]2)(O[6]C[6])2(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]O[6]2C){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6a]C[6a]2)(O[6]C[6])2(CH3){1|C<4>,2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|O<2>}	120.4405	0.724	4	120.4405	0.524	4	120.3291	0.789	28	120.4484	0.922	36	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:2:2:4:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:O[6]-2:O[6]-2:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]O[6]2C)	C[6](C[6a]C[6a]2)(O[6]C[6])2(CHHO)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]O[6]2C){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6a]C[6a]2)(O[6]C[6])2(CHHO){1|C<4>,2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	120.3346	0.921	12	120.3346	0.849	12	120.3291	0.789	28	120.4484	0.922	36	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:2:2:4:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:O[6]-2:O[6]-2:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]O[6]2C)	C[6](C[6a]C[6a]2)(O[6]C[6])2(CHHO)	C[6a](C[6a]C[6a]C[6])2(H)	C[6a](C[6a]C[6a]H)2(C[6]O[6]2C){1|C<3>,4|C<4>}	C[6](C[6a]C[6a]2)(O[6]C[6])2(CHHO){1|C<4>,2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[6])2(H){1|C<3>,2|C<4>,2|H<1>,4|O<2>}	120.3554	1.154	8	120.3554	1.332	8	120.3291	0.789	28	120.4484	0.922	36	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:2:2:4:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:S[6]-2:S[6]-2:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]S[6]2C)	C[6](C[6a]C[6a]2)(S[6]C[6])2(CC[3]CH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]S[6]2C){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6a]C[6a]2)(S[6]C[6])2(CC[3]CH){1|C<4>,2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|S<2>}	120.6170	2.216	2	120.6170	4.911	2	120.8659	1.311	8	120.4484	0.922	36	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:2:2:4:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:S[6]-2:S[6]-2:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]S[6]2C)	C[6](C[6a]C[6a]2)(S[6]C[6])2(CC[5]HO)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H)	C[6a](C[6a]C[6a]H)2(C[6]S[6]2C){1|C<3>,1|H<1>,3|C<4>}	C[6](C[6a]C[6a]2)(S[6]C[6])2(CC[5]HO){1|C<4>,2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,2|S<2>}	119.9050	0.000	1	119.9050	0.000	1	120.8659	1.311	8	120.4484	0.922	36	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:2:2:4:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:S[6]-2:S[6]-2:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]S[6]2C)	C[6](C[6a]C[6a]2)(S[6]C[6])2(CC[5]HO)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]S[6]2C){1|C<3>,1|H<1>,3|C<4>}	C[6](C[6a]C[6a]2)(S[6]C[6])2(CC[5]HO){1|C<4>,2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,2|S<2>}	121.9530	0.000	1	121.9530	0.000	1	120.8659	1.311	8	120.4484	0.922	36	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:2:2:4:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:S[6]-2:S[6]-2:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]S[6]2C)	C[6](C[6a]C[6a]2)(S[6]C[6])2(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]S[6]2C){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[6](C[6a]C[6a]2)(S[6]C[6])2(CH3){1|C<4>,2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|S<2>}	119.7820	0.000	1	119.7820	0.000	1	120.8659	1.311	8	120.4484	0.922	36	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:2:2:4:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:S[6]-2:S[6]-2:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]S[6]2C)	C[6](C[6a]C[6a]2)(S[6]C[6])2(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]N)(H)	C[6a](C[6a]C[6a]H)2(C[6]S[6]2C){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[6](C[6a]C[6a]2)(S[6]C[6])2(CH3){1|C<4>,2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,2|H<1>,2|S<2>}	121.6500	0.000	1	121.6500	0.000	1	120.8659	1.311	8	120.4484	0.922	36	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:2:2:4:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:S[6]-2:S[6]-2:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]S[6]2C)	C[6](C[6a]C[6a]2)(S[6]C[6])2(CHHO)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]S[6]2C){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6a]C[6a]2)(S[6]C[6])2(CHHO){1|C<4>,2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|S<2>}	121.2015	0.142	2	121.2015	0.020	2	120.8659	1.311	8	120.4484	0.922	36	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:2:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:N[6]-2:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]N[6]2H)	C[6](C[6a]C[6a]2)(N[6]C[6,6a])(N[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]N[6]2H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6,6a])(N[6]C[6]C)(H){3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,3|H<1>}	120.6810	0.315	2	120.6810	0.099	2	120.6810	0.099	2	120.6810	0.099	2	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:2:1:	3:2:1:	C[6a]-3:C[6a]-3:C[6]-4:	N[6]-3:C[6a]-3:N[6]-2:H-1:	C[6a]-3:N[6a]-2:Cl-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]Cl)(C[6]N[6]2H)	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a,6a])(Cl)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]Cl)(C[6]N[6]2H){1|H<1>,4|C<3>}	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6])(H){1|Cl<1>,1|H<1>,1|N<2>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a,6a])(Cl){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	123.9630	0.000	1	123.9630	0.000	1	123.9630	0.000	1	123.9630	0.000	1	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:2:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:N[6]-3:N[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]N[6]2H)	C[6](C[6a]C[6a]2)(N[6]C[6]H)(N[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]N[6]2H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(N[6]C[6]H)(N[6]C[6])(H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,3|H<1>}	120.6930	0.935	2	120.6437	2.598	16	120.6437	2.598	16	120.7893	2.954	28	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:2:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:N[6]-3:N[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]N[6]2H)	C[6](C[6a]C[6a]2)(N[6]C[6]H)(N[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]N[6]2H){3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(N[6]C[6]H)(N[6]C[6])(H){1|N<2>,2|C<3>,2|H<1>,2|N<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,1|O<2>,2|H<1>}	121.1895	2.608	4	120.6437	2.598	16	120.6437	2.598	16	120.7893	2.954	28	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:2:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:N[6]-3:N[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]N[6]2H)	C[6](C[6a]C[6a]2)(N[6]C[6]H)(N[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]N[6]2H){3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(N[6]C[6]H)(N[6]C[6])(H){1|N<2>,2|C<3>,2|H<1>,2|N<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,3|H<1>}	120.4760	1.335	8	120.6437	2.598	16	120.6437	2.598	16	120.7893	2.954	28	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:2:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:N[6]-3:N[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]N[6]2H)	C[6](C[6a]C[6a]2)(N[6]C[6]H)(N[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]N[6]2H){3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(N[6]C[6]H)(N[6]C[6])(H){1|N<3>,1|S<1>,1|S<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,3|H<1>}	120.1735	1.829	2	120.6437	2.598	16	120.6437	2.598	16	120.7893	2.954	28	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:2:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:S[6]-3:S[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]S[6]2H)	C[6](C[6a]C[6a]2)(S[6]C[6]O)(S[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]S[6]2H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[6a]C[6a]2)(S[6]C[6]O)(S[6]C[6])(H){1|C<4>,2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|S<2>,1|S<3>,3|H<1>}	120.4715	0.672	2	120.4715	0.452	2	120.4715	0.452	2	120.7893	2.954	28	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:2:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	N[6]-3:C[6a]-3:N[6]-2:H-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]Cl)(C[6]N[6]2H)	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]Cl)(C[6]N[6]2H){1|H<1>,4|C<3>}	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6])(H){1|Cl<1>,1|H<1>,1|N<2>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])(H){1|Cl<1>,1|N<3>,2|C<3>,2|H<1>,2|N<2>}	120.3430	0.000	1	120.3430	0.000	1	120.3430	0.000	1	120.7893	2.954	28	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:2:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	N[6]-3:C[6a]-3:N[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]N[6]2H)	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]N[6]2H){3|C<3>,3|H<1>}	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6])(H){1|H<1>,1|O<2>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,1|O<2>,2|H<1>}	125.4630	0.000	1	125.4630	0.000	1	121.1684	4.787	9	120.7893	2.954	28	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:2:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	N[6]-3:C[6a]-3:N[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]N[6]2H)	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]N[6]2H){1|C<4>,2|C<3>,3|H<1>}	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6])(H){4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,3|H<1>}	120.5250	1.348	4	120.5597	2.058	6	121.1684	4.787	9	120.7893	2.954	28	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:2:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	N[6]-3:C[6a]-3:N[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]N[6]2H)	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]N[6]2H){3|C<3>,3|H<1>}	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6])(H){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|N<2>,1|N<3>,2|H<1>}	120.6290	2.196	2	120.5597	2.058	6	121.1684	4.787	9	120.7893	2.954	28	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:2:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	N[6]-3:C[6a]-3:N[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]N[6]2H)	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(N[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]N[6]2H){2|H<1>,4|C<3>}	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(N[6]C[6])(H){1|C<4>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,3|H<1>}	120.8475	2.671	2	120.8475	7.133	2	121.1684	4.787	9	120.7893	2.954	28	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:2:1:	3:3:2:	C[6a]-3:C[6a]-3:C[6]-4:	N[6]-3:C[6a]-3:N[6]-2:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]N[6]2H)	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]N[6]2H){3|C<3>,3|H<1>}	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6])(H){1|H<1>,1|O<2>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH){1|C<3>,1|N<2>,1|N<3>,3|H<1>}	116.5290	0.000	1	116.5290	0.000	1	116.5290	0.000	1	116.5290	0.000	1	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:2:3:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:N[6]-3:N[6]-2:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]N[6]2C)	C[6](C[6a]C[6a]2)(N[6]C[6]H)(N[6]C[6])(CCH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]N[6]2C){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(N[6]C[6]H)(N[6]C[6])(CCH){2|H<1>,3|C<3>,3|C<4>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	120.6900	2.312	2	120.6900	5.346	2	120.6900	5.346	2	120.6900	5.346	2	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:3:1:	3:2:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6a]-2:H-1:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a])(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(C[6]C[6]2H){1|H<1>,2|C<2>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|C<3>,1|N<2>,1|N<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a])(H){3|C<3>,3|H<1>}	120.6090	0.000	1	120.6090	0.000	1	120.6090	0.000	1	122.3983	2.696	3	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:3:1:	3:2:1:	C[6a]-3:C[6a]-3:C[6]-4:	N[6]-3:C[6a]-3:N[6]-3:H-1:	C[6a]-3:O[6a]-2:H-1:	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]H)(C[6]N[6]2H)	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]S[6]H)(H)	C[6a](C[6a]C[6a]C[6])(O[6a]C[6a,6a])(H)	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]H)(C[6]N[6]2H){1|S<4>,2|H<1>,3|C<3>}	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]S[6]H)(H){1|H<1>,1|O<2>,3|C<3>,3|O<1>}	C[6a](C[6a]C[6a]C[6])(O[6a]C[6a,6a])(H){1|H<1>,1|O<1>,2|C<3>,2|N<3>}	123.2930	0.768	2	123.2930	0.590	2	123.2930	0.590	2	122.3983	2.696	3	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:3:1:	3:2:2:	C[6a]-3:C[6a]-3:C[6]-4:	N[6]-3:C[6a]-3:N[6]-3:H-1:	C[6a]-3:N[6a]-2:N-2:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(C[6]N[6]2H)	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]S)(H)	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a])(NC)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(C[6]N[6]2H){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]S)(H){2|N<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a])(NC){1|C<3>,2|N<3>,3|H<1>}	121.9940	0.000	1	121.9940	0.000	1	121.9940	0.000	1	121.9940	0.000	1	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:3:1:	3:2:3:	C[6a]-3:C[6a]-3:C[6]-4:	N[6]-3:C[6a]-3:N[6]-3:H-1:	C[6a]-3:N[6a]-2:N-3:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(C[6]N[6]2H)	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]S)(H)	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a])(NCH)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(C[6]N[6]2H){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]S)(H){1|N<2>,1|N<3>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a])(NCH){1|C<3>,2|N<3>,3|H<1>}	122.6220	0.000	1	122.6220	0.000	1	122.6220	0.000	1	122.6220	0.000	1	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]2H)	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]C)2(H)	C[6a](C[6a]C[6a,6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]2H){1|C<2>,2|H<1>,6|C<3>}	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]C)2(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a,6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,4|C<3>}	119.2993	0.881	6	119.2993	0.776	6	119.1743	0.756	7	120.7578	2.677	450	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]2H)	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]C)2(H)	C[6a](C[6a]C[6a,6a]C[6])(C[6a]O[6a]O)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]2H){1|H<1>,1|O<1>,1|O<2>,6|C<3>}	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]C)2(H){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a,6a]C[6])(C[6a]O[6a]O)(H){1|H<1>,4|C<3>}	118.4240	0.000	1	118.4240	0.000	1	119.1743	0.756	7	120.7578	2.677	450	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(C[6]C[6]N[6]H)	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]C)(N[6]C[6]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(C[6]C[6]N[6]H){2|H<1>,7|C<3>}	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]C)(N[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6])(H){1|N<3>,2|H<1>,5|C<3>}	118.9070	0.000	1	118.9070	0.000	1	118.9070	0.000	1	120.7578	2.677	450	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:N[6]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(C[6]N[6]2H)	C[6](C[6a]C[6a,6a]C[6a])(N[6]N[6]H)2(H)	C[6a](C[6a]C[6a,6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(C[6]N[6]2H){2|N<3>,3|C<3>,3|H<1>}	C[6](C[6a]C[6a,6a]C[6a])(N[6]N[6]H)2(H){1|H<1>,1|N<2>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,2|H<1>,2|N<3>}	119.6370	0.000	1	119.6370	0.000	1	119.6370	0.000	1	120.7578	2.677	450	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[6a]C[6a]Cl)2(C[6]C[6]2H)	C[6](C[6]C[6,6]C)(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)2(C[6]C[6]2H){2|C<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6]C)(C[6a]C[6a]2)(C[6]C[6]C)(H){2|Cl<1>,2|C<3>,3|N<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl){1|Cl<1>,2|H<1>,3|C<3>}	122.6165	1.296	2	122.6165	1.680	2	122.6165	1.680	2	120.7578	2.677	450	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[3]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6]C[3]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|O<2>,3|C<3>,3|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){3|C<3>,3|H<1>}	120.9105	0.660	2	120.9105	0.435	2	120.8671	1.078	35	120.7578	2.677	450	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[5,6]C)(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Cl)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|Cl<1>,1|H<1>,5|C<3>}	C[6](C[6]C[5,6]C)(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,2|C<3>,2|H<1>,2|N<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Cl)(H){3|C<3>,3|H<1>}	119.4770	0.000	1	119.4770	0.000	1	120.8671	1.078	35	120.7578	2.677	450	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[5,6]C)(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|Cl<1>,1|H<1>,5|C<3>}	C[6](C[6]C[5,6]C)(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,2|C<3>,2|H<1>,2|N<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){3|C<3>,3|H<1>}	122.2540	0.000	1	122.2540	0.000	1	120.8671	1.078	35	120.7578	2.677	450	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[5,6]C)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[5,6]C)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|H<1>,3|C<3>}	121.0365	0.035	2	121.0365	0.001	2	120.8671	1.078	35	120.7578	2.677	450	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<2>,3|C<3>,3|H<1>}	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(C[6]C[6]C)(H){2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){3|C<3>,3|H<1>}	120.7420	0.000	1	121.7734	2.592	7	120.8671	1.078	35	120.7578	2.677	450	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	123.9680	0.444	2	121.7734	2.592	7	120.8671	1.078	35	120.7578	2.677	450	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){3|C<3>,3|H<1>}	121.2935	0.087	2	121.7734	2.592	7	120.8671	1.078	35	120.7578	2.677	450	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){3|H<1>,4|C<3>}	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,2|H<1>,3|C<3>}	120.5745	1.148	2	121.7734	2.592	7	120.8671	1.078	35	120.7578	2.677	450	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){3|C<3>,4|H<1>}	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H){2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){3|C<3>,3|H<1>}	121.0365	0.487	2	121.0365	0.237	2	120.8671	1.078	35	120.7578	2.677	450	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]H)(H){1|C<4>,2|C<3>,2|N<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){3|C<3>,3|H<1>}	120.6450	0.665	2	120.6450	0.442	2	120.8671	1.078	35	120.7578	2.677	450	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6,6]N)(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|N<3>,2|H<1>,4|C<3>}	C[6](C[6]C[6,6]N)(C[6a]C[6a]2)(C[6]C[6]C)(H){1|S<2>,2|C<3>,2|H<1>,2|N<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,2|H<1>,3|C<3>}	120.8320	0.178	2	120.8320	0.032	2	120.8671	1.078	35	120.7578	2.677	450	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6]N[6])(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|N<3>,3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6a]C[6a]2)(C[6]C[6]H)(H){1|Re<6>,2|N<3>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){3|C<3>,3|H<1>}	119.9960	0.158	2	119.9960	0.025	2	120.8671	1.078	35	120.7578	2.677	450	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6]P[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|H<1>,1|N<3>,1|P<4>,4|C<3>}	C[6](C[6]C[6]P[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){3|C<3>,3|H<1>}	120.3383	0.543	3	120.3383	0.295	3	120.8671	1.078	35	120.7578	2.677	450	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6]P[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]N)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|H<1>,1|N<3>,1|P<4>,4|C<3>}	C[6](C[6]C[6]P[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]N)(H){3|C<3>,3|H<1>}	120.8280	0.191	3	120.8280	0.036	3	120.8671	1.078	35	120.7578	2.677	450	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<2>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|Br<1>,1|O<2>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){3|C<3>,3|H<1>}	120.1825	1.968	2	120.3478	0.881	6	120.8671	1.078	35	120.7578	2.677	450	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<2>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|O<2>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){3|C<3>,3|H<1>}	120.4305	0.387	4	120.3478	0.881	6	120.8671	1.078	35	120.7578	2.677	450	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){3|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]H)(H){1|N<3>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){3|C<3>,3|H<1>}	120.8515	1.020	2	120.8515	1.041	2	120.8671	1.078	35	120.7578	2.677	450	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(C[6]C[6]2H){1|H<1>,6|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])(H){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	120.8380	0.000	1	120.8380	0.000	1	120.8380	0.000	1	120.7578	2.677	450	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:Br-1:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(C[6]C[6]2H){3|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H){1|Br<1>,1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Br){3|C<3>,3|H<1>}	123.4410	0.000	1	123.4410	0.000	1	123.4410	0.000	1	120.7578	2.677	450	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2H){1|C<2>,3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H){1|Cl<1>,1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl){3|C<3>,3|H<1>}	122.3780	1.492	3	122.7400	1.358	5	123.7894	1.281	21	120.7578	2.677	450	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2H){1|C<2>,3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H){1|Cl<1>,1|H<1>,1|N<3>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl){1|Cl<1>,2|H<1>,3|C<3>}	123.2830	0.000	2	122.7400	1.358	5	123.7894	1.281	21	120.7578	2.677	450	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Cl)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2H){1|Cl<1>,1|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|Cl<1>,1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Cl)(Cl){3|C<3>,3|H<1>}	124.2753	0.232	9	124.2753	0.054	9	123.7894	1.281	21	120.7578	2.677	450	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2H){1|C<2>,2|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|Cl<1>,1|C<4>,1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl){3|C<3>,3|H<1>}	123.3070	0.000	1	124.5632	0.582	5	123.7894	1.281	21	120.7578	2.677	450	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2H){2|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|Cl<1>,1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl){1|Cl<1>,2|H<1>,3|C<3>}	125.0675	0.019	2	124.5632	0.582	5	123.7894	1.281	21	120.7578	2.677	450	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2H){2|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|Cl<1>,1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl){3|C<3>,3|H<1>}	124.6870	0.460	2	124.5632	0.582	5	123.7894	1.281	21	120.7578	2.677	450	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[6a]C[6a]Cl)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)2(C[6]C[6]2H){2|C<2>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){2|Cl<1>,1|S<2>,2|C<3>,2|N<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl){1|Cl<1>,2|H<1>,3|C<3>}	122.2920	1.520	2	122.2920	2.311	2	123.7894	1.281	21	120.7578	2.677	450	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C[6])(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(C[6]C[6]2H){1|H<1>,6|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C[6])(H){1|O<2>,2|H<1>,3|C<3>}	121.0680	0.000	1	121.0680	0.000	1	120.4626	1.940	269	120.7578	2.677	450	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(C[6]C[6]2H){3|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H){1|Br<1>,1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,2|H<1>,3|C<3>}	119.3990	0.000	1	119.3990	0.000	1	120.4626	1.940	269	120.7578	2.677	450	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[6]C[6]2H){1|C<2>,2|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	119.2790	0.000	1	117.9420	3.575	2	120.4626	1.940	269	120.7578	2.677	450	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[6]C[6]2H){2|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,4|C<3>}	116.6050	0.000	1	117.9420	3.575	2	120.4626	1.940	269	120.7578	2.677	450	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2H){1|C<2>,3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H){1|Cl<1>,1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,2|H<1>,3|C<3>}	120.5040	1.331	3	120.5412	0.888	5	120.4626	1.940	269	120.7578	2.677	450	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2H){1|C<2>,3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H){1|Cl<1>,1|H<1>,1|N<3>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|Cl<1>,1|H<1>,3|C<3>}	120.5970	0.000	2	120.5412	0.888	5	120.4626	1.940	269	120.7578	2.677	450	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2H){1|C<2>,2|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|Cl<1>,1|C<4>,1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,2|H<1>,3|C<3>}	119.4990	0.000	1	118.4361	0.390	14	120.4626	1.940	269	120.7578	2.677	450	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2H){1|Cl<1>,1|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|Cl<1>,1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,2|H<1>,3|C<3>}	118.1467	0.535	9	118.4361	0.390	14	120.4626	1.940	269	120.7578	2.677	450	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2H){2|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|Cl<1>,1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,2|H<1>,3|C<3>}	118.6845	0.144	2	118.4361	0.390	14	120.4626	1.940	269	120.7578	2.677	450	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2H){2|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|Cl<1>,1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|Cl<1>,1|H<1>,3|C<3>}	118.9590	0.451	2	118.4361	0.390	14	120.4626	1.940	269	120.7578	2.677	450	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[6]C[6]2H){3|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H){1|C<4>,2|C<3>,2|H<1>,2|N<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|H<1>,3|C<3>}	119.6810	0.000	1	119.6810	0.000	1	120.4626	1.940	269	120.7578	2.677	450	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[6]C[6]2H){2|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|H<1>,2|C<3>,2|C<4>,2|N<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|H<1>,3|C<3>}	117.7862	0.692	18	117.7862	0.479	18	120.4626	1.940	269	120.7578	2.677	450	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2H){2|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|H<1>,3|C<3>}	120.2477	0.158	4	120.2546	0.019	5	120.4626	1.940	269	120.7578	2.677	450	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2H){2|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|N<3>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|H<1>,3|C<3>}	120.2820	0.000	1	120.2546	0.019	5	120.4626	1.940	269	120.7578	2.677	450	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]O)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]O)(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H){1|O<2>,2|H<1>,3|C<3>}	117.3220	0.000	1	117.3220	0.000	1	120.4626	1.940	269	120.7578	2.677	450	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]N)2(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2H){2|H<1>,2|N<3>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]N)2(H){1|H<1>,1|O<2>,1|S<2>,2|C<3>,2|N<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,2|O<2>,3|C<3>}	119.6580	0.000	1	119.6580	0.000	1	120.4626	1.940	269	120.7578	2.677	450	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(C[6]C[6]2H){1|H<1>,2|C<4>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|P<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|P<4>,2|H<1>,3|C<3>}	113.3330	0.000	1	113.3330	0.000	1	120.4626	1.940	269	120.7578	2.677	450	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(C[6]C[6]2H){1|H<1>,2|C<2>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|C<3>,1|N<2>,1|N<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,3|H<1>}	122.1300	0.000	1	122.1300	0.000	1	120.4626	1.940	269	120.7578	2.677	450	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]2)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<2>,3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]2)(C[6]C[6]H)(H){1|C<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){3|C<3>,3|H<1>}	120.6170	2.403	2	120.6170	5.773	2	120.4626	1.940	269	120.7578	2.677	450	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<2>,3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,2|H<1>,3|C<3>}	120.6995	0.186	2	120.8319	1.525	30	120.4626	1.940	269	120.7578	2.677	450	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,2|H<1>,3|C<3>}	120.9020	2.468	2	120.8319	1.525	30	120.4626	1.940	269	120.7578	2.677	450	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){3|C<3>,3|H<1>}	120.9080	0.281	4	120.8319	1.525	30	120.4626	1.940	269	120.7578	2.677	450	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H){2|O<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,2|H<1>,3|C<3>}	120.5520	0.314	2	120.8319	1.525	30	120.4626	1.940	269	120.7578	2.677	450	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){3|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){3|C<3>,3|H<1>}	121.4680	2.547	2	120.8319	1.525	30	120.4626	1.940	269	120.7578	2.677	450	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){3|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){3|C<3>,3|H<1>}	120.8980	1.975	4	120.8319	1.525	30	120.4626	1.940	269	120.7578	2.677	450	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){3|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,2|H<1>,3|C<3>}	120.4620	1.128	4	120.8319	1.525	30	120.4626	1.940	269	120.7578	2.677	450	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){3|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){3|C<3>,3|H<1>}	121.0220	2.147	2	120.8319	1.525	30	120.4626	1.940	269	120.7578	2.677	450	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){3|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){3|C<3>,3|H<1>}	120.8338	0.590	4	120.8319	1.525	30	120.4626	1.940	269	120.7578	2.677	450	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){3|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){3|C<3>,3|H<1>}	120.8160	1.676	4	120.8319	1.525	30	120.4626	1.940	269	120.7578	2.677	450	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]N)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]F)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<2>,1|F<1>,1|H<1>,1|N<3>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]N)(H){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]F)(H){3|C<3>,3|H<1>}	120.4560	0.000	1	120.4560	0.000	1	120.4626	1.940	269	120.7578	2.677	450	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]N)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<2>,1|F<1>,1|H<1>,1|N<3>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]N)(H){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){3|C<3>,3|H<1>}	120.8920	0.000	1	120.6664	0.384	13	120.4626	1.940	269	120.7578	2.677	450	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]N)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<2>,1|N<3>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]N)(H){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,2|H<1>,3|C<3>}	120.6043	0.262	4	120.6664	0.384	13	120.4626	1.940	269	120.7578	2.677	450	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]N)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<2>,1|N<3>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]N)(H){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,2|H<1>,3|C<3>}	120.6400	0.533	2	120.6664	0.384	13	120.4626	1.940	269	120.7578	2.677	450	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]N)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<2>,1|N<3>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]N)(H){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|F<1>,2|H<1>,3|C<3>}	120.5980	1.170	2	120.6664	0.384	13	120.4626	1.940	269	120.7578	2.677	450	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]N)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<2>,1|N<3>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]N)(H){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|H<1>,3|C<3>}	120.9450	1.560	2	120.6664	0.384	13	120.4626	1.940	269	120.7578	2.677	450	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]N)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<2>,1|N<3>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]N)(H){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){3|C<3>,3|H<1>}	120.4940	0.144	2	120.6664	0.384	13	120.4626	1.940	269	120.7578	2.677	450	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Cl)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|Cl<1>,1|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Cl)(H){3|C<3>,3|H<1>}	120.5130	0.000	1	120.5770	0.008	2	120.4626	1.940	269	120.7578	2.677	450	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Cl)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|Cl<1>,1|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Cl)(H){3|C<3>,3|H<1>}	120.6410	0.000	1	120.5770	0.008	2	120.4626	1.940	269	120.7578	2.677	450	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<2>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){3|C<3>,3|H<1>}	121.2940	0.389	2	120.9927	0.825	134	120.4626	1.940	269	120.7578	2.677	450	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<2>,2|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){3|C<3>,3|H<1>}	120.7065	0.822	10	120.9927	0.825	134	120.4626	1.940	269	120.7578	2.677	450	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<2>,2|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){3|C<3>,3|H<1>}	120.5550	0.232	2	120.9927	0.825	134	120.4626	1.940	269	120.7578	2.677	450	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<2>,2|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|C<4>,2|C<3>,2|H<1>,2|N<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|H<1>,3|C<3>}	121.0450	0.218	2	120.9927	0.825	134	120.4626	1.940	269	120.7578	2.677	450	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<2>,2|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){3|C<3>,3|H<1>}	120.8715	2.440	2	120.9927	0.825	134	120.4626	1.940	269	120.7578	2.677	450	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<2>,2|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){2|H<1>,2|N<3>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,2|H<1>,3|C<3>}	120.6820	0.388	6	120.9927	0.825	134	120.4626	1.940	269	120.7578	2.677	450	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<2>,2|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){2|H<1>,2|N<3>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,2|H<1>,3|C<3>}	120.9200	1.464	2	120.9927	0.825	134	120.4626	1.940	269	120.7578	2.677	450	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){3|C<3>,3|H<1>}	121.2045	1.050	2	120.9927	0.825	134	120.4626	1.940	269	120.7578	2.677	450	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|Cl<1>,1|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){3|C<3>,3|H<1>}	121.2390	0.000	1	120.9927	0.825	134	120.4626	1.940	269	120.7578	2.677	450	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|Cl<1>,1|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){3|C<3>,3|H<1>}	120.9740	0.000	1	120.9927	0.825	134	120.4626	1.940	269	120.7578	2.677	450	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|H<1>,1|N<3>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){3|C<3>,3|H<1>}	121.0987	0.888	17	120.9927	0.825	134	120.4626	1.940	269	120.7578	2.677	450	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|H<1>,1|O<2>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|H<1>,3|C<3>}	121.6384	0.947	5	120.9927	0.825	134	120.4626	1.940	269	120.7578	2.677	450	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){2|C<2>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){3|C<3>,3|H<1>}	121.0455	1.285	2	120.9927	0.825	134	120.4626	1.940	269	120.7578	2.677	450	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){2|C<2>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|N<3>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){3|C<3>,3|H<1>}	120.7990	0.635	2	120.9927	0.825	134	120.4626	1.940	269	120.7578	2.677	450	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){2|C<2>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	120.7050	0.964	10	120.9927	0.825	134	120.4626	1.940	269	120.7578	2.677	450	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){2|C<2>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,2|H<1>,3|C<3>}	120.7730	1.646	2	120.9927	0.825	134	120.4626	1.940	269	120.7578	2.677	450	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){2|C<2>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){2|C<3>,2|H<1>,3|N<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,2|H<1>,3|C<3>}	120.7325	0.920	2	120.9927	0.825	134	120.4626	1.940	269	120.7578	2.677	450	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){2|C<4>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){3|C<3>,3|H<1>}	120.8858	1.451	6	120.9927	0.825	134	120.4626	1.940	269	120.7578	2.677	450	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){2|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){3|C<3>,3|H<1>}	120.8235	1.653	2	120.9927	0.825	134	120.4626	1.940	269	120.7578	2.677	450	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){2|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,2|H<1>,3|C<3>}	121.2343	1.015	4	120.9927	0.825	134	120.4626	1.940	269	120.7578	2.677	450	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){2|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	121.1050	0.847	2	120.9927	0.825	134	120.4626	1.940	269	120.7578	2.677	450	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){2|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,2|H<1>,3|C<3>}	121.1915	0.991	2	120.9927	0.825	134	120.4626	1.940	269	120.7578	2.677	450	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){2|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|H<1>,3|C<3>}	120.9597	0.743	4	120.9927	0.825	134	120.4626	1.940	269	120.7578	2.677	450	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){2|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|H<1>,3|C<3>}	121.3444	0.887	14	120.9927	0.825	134	120.4626	1.940	269	120.7578	2.677	450	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){2|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,4|C<3>}	121.2043	0.788	4	120.9927	0.825	134	120.4626	1.940	269	120.7578	2.677	450	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){2|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){3|C<3>,3|H<1>}	121.2655	1.354	2	120.9927	0.825	134	120.4626	1.940	269	120.7578	2.677	450	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){2|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|N<3>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|H<1>,3|C<3>}	120.5219	0.739	8	120.9927	0.825	134	120.4626	1.940	269	120.7578	2.677	450	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){2|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|N<3>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|H<1>,3|C<3>}	121.1155	0.125	2	120.9927	0.825	134	120.4626	1.940	269	120.7578	2.677	450	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){2|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|N<3>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){3|C<3>,3|H<1>}	120.7458	0.700	4	120.9927	0.825	134	120.4626	1.940	269	120.7578	2.677	450	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){2|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){3|C<3>,3|H<1>}	120.9490	0.178	2	120.9927	0.825	134	120.4626	1.940	269	120.7578	2.677	450	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){2|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){2|H<1>,2|N<3>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,2|H<1>,3|C<3>}	121.1830	1.405	8	120.9927	0.825	134	120.4626	1.940	269	120.7578	2.677	450	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]N)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<2>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]N)(H){3|C<3>,3|H<1>}	120.4510	0.124	2	120.5521	0.420	19	120.4626	1.940	269	120.7578	2.677	450	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]N)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|H<1>,1|N<3>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]N)(H){3|C<3>,3|H<1>}	120.5639	0.686	17	120.5521	0.420	19	120.4626	1.940	269	120.7578	2.677	450	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|H<1>,1|O<2>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H){1|O<2>,2|H<1>,3|C<3>}	120.0276	0.687	5	120.0276	0.472	5	120.4626	1.940	269	120.7578	2.677	450	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6a](C[6a]C[6a]C[6])(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|N<2>,2|C<2>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]N[6a]H)(H){2|H<1>,3|C<3>}	121.3410	0.198	2	121.3410	0.039	2	120.4626	1.940	269	120.7578	2.677	450	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|N<2>,3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]C)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){3|C<3>,3|H<1>}	121.4505	0.829	2	121.4505	0.688	2	120.4626	1.940	269	120.7578	2.677	450	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){3|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2(H){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,4|C<3>}	120.8003	0.164	4	120.8003	0.027	4	120.4626	1.940	269	120.7578	2.677	450	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]N)2(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){2|H<1>,2|N<3>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]N)2(H){1|S<2>,2|C<3>,2|H<1>,2|N<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	121.2835	1.136	2	121.2065	3.250	4	120.4626	1.940	269	120.7578	2.677	450	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]N)2(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){2|H<1>,2|N<3>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]N)2(H){2|C<3>,2|H<1>,3|N<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){3|C<3>,3|H<1>}	121.1295	2.904	2	121.2065	3.250	4	120.4626	1.940	269	120.7578	2.677	450	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:N[6]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]N[6]2H)	C[6](C[6a]C[6a]2)(N[6]C[6,6]H)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]N[6]2H){3|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(N[6]C[6,6]H)(N[6]C[6]H)(H){1|H<1>,1|O<2>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|H<1>,2|N<3>}	121.9220	0.000	1	121.9220	0.000	1	121.4049	3.383	28	120.7578	2.677	450	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:N[6]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]N[6]2H)	C[6](C[6a]C[6a]2)(N[6]C[6]C)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]N[6]2H){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6a]C[6a]2)(N[6]C[6]C)(N[6]C[6]H)(H){1|N<3>,1|O<2>,1|S<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|H<1>,2|N<3>}	123.5185	0.638	4	123.5185	0.407	4	121.4049	3.383	28	120.7578	2.677	450	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:N[6]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]N[6]2H)	C[6](C[6a]C[6a]2)(N[6]C[6]H)2(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]N)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]N[6]2H){1|C<3>,1|N<2>,2|C<4>,3|H<1>}	C[6](C[6a]C[6a]2)(N[6]C[6]H)2(H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]N)(H){1|C<3>,1|O<2>,2|H<1>,2|N<3>}	122.9160	0.000	1	122.9160	0.000	1	121.4049	3.383	28	120.7578	2.677	450	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:N[6]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]N[6]2H)	C[6](C[6a]C[6a]2)(N[6]N[6]H)2(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]N[6]2H){1|C<3>,2|N<3>,4|H<1>}	C[6](C[6a]C[6a]2)(N[6]N[6]H)2(H){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|H<1>,2|N<3>}	121.8240	0.301	2	121.8240	0.091	2	121.4049	3.383	28	120.7578	2.677	450	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:N[6]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]N[6]2H)	C[6](C[6a]C[6a]2)(N[6]C[6]C)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]N[6]2H){1|C<3>,3|C<4>,3|H<1>}	C[6](C[6a]C[6a]2)(N[6]C[6]C)(N[6]C[6]H)(H){1|C<4>,2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|N<3>}	120.8805	3.422	2	120.6874	4.476	8	121.4049	3.383	28	120.7578	2.677	450	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:N[6]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]N[6]2H)	C[6](C[6a]C[6a]2)(N[6]C[6]C)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]N[6]2H){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(N[6]C[6]C)(N[6]C[6]H)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|N<3>,3|H<1>}	120.4365	2.106	2	120.6874	4.476	8	121.4049	3.383	28	120.7578	2.677	450	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:N[6]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]N[6]2H)	C[6](C[6a]C[6a]2)(N[6]C[6]C)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]N[6]2H){3|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]C)(N[6]C[6]H)(H){1|O<1>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|N<3>,3|H<1>}	120.7163	2.235	4	120.6874	4.476	8	121.4049	3.383	28	120.7578	2.677	450	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:N[6]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]N[6]2H)	C[6](C[6a]C[6a]2)(N[6]C[6]C)(N[6]N[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]N[6]2H){1|N<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6a]C[6a]2)(N[6]C[6]C)(N[6]N[6]C)(H){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|N<3>,3|H<1>}	120.5220	2.912	2	120.5220	8.479	2	121.4049	3.383	28	120.7578	2.677	450	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:N[6]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]N[6]2H)	C[6](C[6a]C[6a]2)(N[6]C[6]C)2(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]N[6]2H){1|C<3>,2|H<1>,4|C<4>}	C[6](C[6a]C[6a]2)(N[6]C[6]C)2(H){1|C<4>,2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|N<3>,3|H<1>}	120.8720	1.442	2	120.8720	2.081	2	121.4049	3.383	28	120.7578	2.677	450	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:N[6]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]N[6]2H)	C[6](C[6a]C[6a]2)(N[6]C[6]H)2(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]N[6]2H){3|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(N[6]C[6]H)2(H){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|H<1>,2|N<3>}	120.9970	0.870	2	120.9970	0.756	2	121.4049	3.383	28	120.7578	2.677	450	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:N[6]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]N[6]2H)	C[6](C[6a]C[6a]2)(N[6]C[6]S)(N[6]O[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]N[6]2H){1|C<3>,1|O<2>,1|S<4>,2|C<4>,2|H<1>}	C[6](C[6a]C[6a]2)(N[6]C[6]S)(N[6]O[6]C)(H){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|N<3>,3|H<1>}	120.6805	2.838	2	120.5725	5.384	4	121.4049	3.383	28	120.7578	2.677	450	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:N[6]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]N[6]2H)	C[6](C[6a]C[6a]2)(N[6]C[6]S)(N[6]O[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]N[6]2H){1|C<3>,1|O<2>,1|S<4>,2|C<4>,2|H<1>}	C[6](C[6a]C[6a]2)(N[6]C[6]S)(N[6]O[6]C)(H){2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|N<3>,3|H<1>}	120.4645	2.838	2	120.5725	5.384	4	121.4049	3.383	28	120.7578	2.677	450	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:N[6]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(C[6]N[6]2H)	C[6](C[6a]C[6a]2)(N[6]C[6,6]H)(N[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(C[6]N[6]2H){1|N<2>,2|C<4>,3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(N[6]C[6,6]H)(N[6]C[6]C)(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|N<3>}	122.1035	0.357	2	122.1035	0.128	2	121.4049	3.383	28	120.7578	2.677	450	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	N[6]-3:C[6a]-3:N[6]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(C[6]N[6]2H)	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[6])(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(C[6]N[6]2H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[6])(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>,2|N<3>}	119.5390	0.000	1	119.5390	0.000	1	119.5390	0.000	1	120.7578	2.677	450	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	N[6]-3:C[6a]-3:N[6]-3:H-1:	C[6a,6a]-3:C[6a]-3:O-1:	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]H)(C[6]N[6]2H)	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]S[6]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])(O)	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]H)(C[6]N[6]2H){1|S<4>,2|H<1>,3|C<3>}	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]S[6]H)(H){1|H<1>,1|O<2>,3|C<3>,3|O<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])(O){1|O<2>,2|C<3>,2|N<3>,3|H<1>}	116.7660	0.263	2	116.7660	0.069	2	116.7660	0.069	2	120.7578	2.677	450	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	N[6]-3:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]N[6]2H)	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]N[6]2H){3|C<3>,4|H<1>}	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|Cl<1>,1|H<1>,1|O<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl){1|C<3>,2|N<3>,3|H<1>}	119.2840	0.000	1	119.2840	0.000	1	119.2840	0.000	1	120.7578	2.677	450	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	N[6]-3:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(C[6]N[6]2H)	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[5,6a]H)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(C[6]N[6]2H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[5,6a]H)(H){1|C<3>,1|O<2>,2|H<1>,2|N<3>}	120.0700	0.000	1	120.0700	0.000	1	121.1623	2.732	36	120.7578	2.677	450	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	N[6]-3:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]N[6]2H)	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]N[6]2H){3|C<3>,4|H<1>}	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|Cl<1>,1|H<1>,1|O<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,2|H<1>,2|N<3>}	123.7450	0.000	1	123.7450	0.000	1	121.1623	2.732	36	120.7578	2.677	450	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	N[6]-3:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[6]N[6]2H)	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[6]N[6]2H){1|C<4>,2|C<3>,4|H<1>}	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|N<3>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|N<3>}	122.2070	0.000	1	120.9930	3.145	3	121.1623	2.732	36	120.7578	2.677	450	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	N[6]-3:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[6]N[6]2H)	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[6]N[6]2H){3|C<3>,4|H<1>}	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|H<1>,1|N<2>,1|O<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,2|H<1>,2|N<3>}	120.3860	2.019	2	120.9930	3.145	3	121.1623	2.732	36	120.7578	2.677	450	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	N[6]-3:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]N[6]2H)	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]N[6]2H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]2)(H){1|O<2>,2|C<4>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|H<1>,2|N<3>}	122.0990	0.000	1	122.0990	0.000	1	121.1623	2.732	36	120.7578	2.677	450	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	N[6]-3:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]N[6]2H)	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Br)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]N[6]2H){1|Br<1>,3|C<3>,3|H<1>}	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Br)(H){1|C<3>,1|O<2>,2|H<1>,2|N<3>}	123.2895	0.995	2	123.2895	0.990	2	121.1623	2.732	36	120.7578	2.677	450	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	N[6]-3:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]N[6]2H)	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]N[6]2H){1|O<2>,3|C<3>,3|H<1>}	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|O<2>,2|H<1>,2|N<3>}	124.8420	0.000	1	124.8420	0.000	1	121.1623	2.732	36	120.7578	2.677	450	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	N[6]-3:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]N[6]2H)	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]N)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]N[6]2H){1|N<2>,3|C<3>,3|H<1>}	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]N)(H){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|H<1>,2|N<3>}	124.9040	0.000	1	124.9040	0.000	1	121.1623	2.732	36	120.7578	2.677	450	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	N[6]-3:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]N[6]2H)	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]O)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Cl)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]N[6]2H){2|Cl<1>,1|H<1>,1|O<1>,3|C<3>}	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]O)(H){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Cl)(H){1|C<3>,1|O<2>,2|H<1>,2|N<3>}	120.3490	0.000	1	120.3490	0.000	1	121.1623	2.732	36	120.7578	2.677	450	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	N[6]-3:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(C[6]N[6]2H)	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]S)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(C[6]N[6]2H){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]S)(H){1|N<2>,1|N<3>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<2>,2|H<1>,3|N<3>}	121.6780	0.000	1	121.3635	0.198	2	121.1623	2.732	36	120.7578	2.677	450	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	N[6]-3:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(C[6]N[6]2H)	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]S)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(C[6]N[6]2H){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]S)(H){2|N<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,2|N<2>,2|N<3>}	121.0490	0.000	1	121.3635	0.198	2	121.1623	2.732	36	120.7578	2.677	450	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	N[6]-3:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]N[6]2H)	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]N[6]2H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|H<1>,2|N<3>}	120.9900	0.000	1	121.1697	0.357	3	121.1623	2.732	36	120.7578	2.677	450	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	N[6]-3:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]N[6]2H)	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]N[6]2H){1|C<4>,3|C<3>,3|H<1>}	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|H<1>,2|N<3>}	121.2595	0.815	2	121.1697	0.357	3	121.1623	2.732	36	120.7578	2.677	450	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	N[6]-3:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]N[6]2H)	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]H)2(C[6]N[6]2H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|O<2>,2|H<1>,2|N<3>}	119.7820	0.000	1	119.7820	0.000	1	121.1623	2.732	36	120.7578	2.677	450	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	N[6]-3:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]N[6]2H)	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(N[6]C[6]O)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]N[6]2H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(N[6]C[6]O)(H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|N<3>,3|H<1>}	120.5500	1.656	2	120.5500	2.742	2	121.1623	2.732	36	120.7578	2.677	450	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	N[6]-3:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]N[6]2H)	C[6](N[6]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]N[6]2H){2|H<1>,5|C<3>}	C[6](N[6]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]C)(H){3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|N<3>,3|H<1>}	120.7815	1.983	2	120.7815	3.934	2	121.1623	2.732	36	120.7578	2.677	450	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	N[6]-3:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]N[6]2H)	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]N[6]2H){1|N<3>,3|C<3>,3|H<1>}	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|N<3>,3|H<1>}	122.1525	0.062	2	121.1775	2.191	6	121.1623	2.732	36	120.7578	2.677	450	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	N[6]-3:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]N[6]2H)	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]N[6]2H){3|C<3>,4|H<1>}	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|N<3>}	120.6345	1.132	2	121.1775	2.191	6	121.1623	2.732	36	120.7578	2.677	450	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	N[6]-3:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]N[6]2H)	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]N[6]2H){3|C<3>,4|H<1>}	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|C<3>,2|H<1>,2|N<3>}	120.7455	2.609	2	121.1775	2.191	6	121.1623	2.732	36	120.7578	2.677	450	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	N[6]-3:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]N[6]2H)	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]N)(H)	C[6a](C[6a]C[6a]H)2(C[6]N[6]2H){1|N<3>,3|C<3>,3|H<1>}	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]N)(H){1|C<3>,2|N<3>,3|H<1>}	118.9390	0.229	2	118.9390	0.052	2	121.1623	2.732	36	120.7578	2.677	450	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	N[6]-3:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]N[6]2H)	C[6](N[6]C[6a]O[6])(C[6a]C[6a]2)(N[6]C[6]O)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]N[6]2H){2|H<1>,2|O<2>,3|C<3>}	C[6](N[6]C[6a]O[6])(C[6a]C[6a]2)(N[6]C[6]O)(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,2|H<1>,2|N<3>}	120.5335	1.580	2	120.5335	2.498	2	121.1623	2.732	36	120.7578	2.677	450	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	N[6]-3:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]N[6]2H)	C[6](N[6]C[6a]O[6])(C[6a]C[6a]2)(N[6]C[6]S)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]N[6]2H){1|C<4>,1|O<2>,1|S<4>,2|C<3>,2|H<1>}	C[6](N[6]C[6a]O[6])(C[6a]C[6a]2)(N[6]C[6]S)(H){2|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|N<3>,3|H<1>}	120.2770	1.136	4	120.2770	1.291	4	121.1623	2.732	36	120.7578	2.677	450	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	N[6]-3:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(C[6]N[6]2H)	C[6](N[6]C[5,6,6]H)(C[6a]C[6a]2)(N[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Br)(H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(C[6]N[6]2H){1|Br<1>,1|N<2>,2|C<4>,2|H<1>,3|C<3>}	C[6](N[6]C[5,6,6]H)(C[6a]C[6a]2)(N[6]C[6]C)(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Br)(H){1|C<3>,2|H<1>,3|N<3>}	120.4780	0.000	1	120.4780	0.000	1	121.1623	2.732	36	120.7578	2.677	450	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	N[6]-3:N[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]N[6]2H)	C[6](N[6]C[5a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]N[6]2H){3|H<1>,4|C<3>}	C[6](N[6]C[5a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){1|H<1>,1|N<2>,1|O<1>,1|O<2>,1|S<2>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|H<1>,2|N<3>}	124.0720	0.000	1	124.0720	0.000	1	120.7013	2.790	44	120.7578	2.677	450	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	N[6]-3:N[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]N[6]2H)	C[6](N[6]C[6,6a]H)2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]N[6]2H){1|O<2>,3|C<3>,3|H<1>}	C[6](N[6]C[6,6a]H)2(C[6a]C[6a]2)(H){1|H<1>,1|O<2>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|H<1>,2|N<3>}	120.0010	0.000	1	120.8398	0.866	4	120.7013	2.790	44	120.7578	2.677	450	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	N[6]-3:N[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]N[6]2H)	C[6](N[6]C[6,6a]H)2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]N[6]2H){3|C<3>,4|H<1>}	C[6](N[6]C[6,6a]H)2(C[6a]C[6a]2)(H){1|H<1>,1|O<2>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,3|N<3>}	122.1680	0.000	1	120.8398	0.866	4	120.7013	2.790	44	120.7578	2.677	450	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	N[6]-3:N[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]N[6]2H)	C[6](N[6]C[6,6a]H)2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]N[6]2H){3|C<3>,4|H<1>}	C[6](N[6]C[6,6a]H)2(C[6a]C[6a]2)(H){1|H<1>,1|O<2>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|H<1>,2|N<3>}	120.5950	0.103	2	120.8398	0.866	4	120.7013	2.790	44	120.7578	2.677	450	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	N[6]-3:N[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]N[6]2H)	C[6](N[6]C[6a]C[6])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]N[6]2H){1|C<4>,2|H<1>,4|C<3>}	C[6](N[6]C[6a]C[6])2(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,7|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|H<1>,2|N<3>}	118.3390	0.000	1	118.3390	0.000	1	120.7013	2.790	44	120.7578	2.677	450	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	N[6]-3:N[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]N[6]2H)	C[6](N[6]C[5a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]N[6]2H){3|H<1>,4|C<3>}	C[6](N[6]C[5a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){1|N<2>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,2|H<1>,2|N<3>}	120.6200	2.782	2	120.6200	7.738	2	120.7013	2.790	44	120.7578	2.677	450	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	N[6]-3:N[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]N[6]2H)	C[6](N[6]C[6,6a]C)2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]N[6]2H){2|C<4>,2|H<1>,3|C<3>}	C[6](N[6]C[6,6a]C)2(C[6a]C[6a]2)(H){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|N<3>,3|H<1>}	120.6710	0.735	4	120.6710	0.540	4	120.7013	2.790	44	120.7578	2.677	450	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	N[6]-3:N[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]N[6]2H)	C[6](N[6]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]N[6]2H){1|C<4>,2|H<1>,4|C<3>}	C[6](N[6]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){1|Pd<4>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|N<3>,3|H<1>}	120.5155	2.542	2	120.5050	5.336	4	120.7013	2.790	44	120.7578	2.677	450	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	N[6]-3:N[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]N[6]2H)	C[6](N[6]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]N[6]2H){3|H<1>,4|C<3>}	C[6](N[6]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|N<3>}	120.4945	3.089	2	120.5050	5.336	4	120.7013	2.790	44	120.7578	2.677	450	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	N[6]-3:N[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]N[6]2H)	C[6](N[6]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])2(H)	C[6a](C[6a]C[6a]H)2(C[6]N[6]2H){1|C<4>,2|H<1>,4|C<3>}	C[6](N[6]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){1|Pd<4>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])2(H){1|C<3>,4|H<1>,4|N<3>}	120.6660	2.953	2	120.6660	8.719	2	120.7013	2.790	44	120.7578	2.677	450	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	N[6]-3:N[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]N[6]2H)	C[6](N[6]C[6a]C[6])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]N[6]2H){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[6](N[6]C[6a]C[6])2(C[6a]C[6a]2)(H){4|H<1>,8|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|H<1>,2|N<3>}	118.7910	0.000	1	120.6160	2.625	25	120.7013	2.790	44	120.7578	2.677	450	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	N[6]-3:N[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]N[6]2H)	C[6](N[6]C[6a]C[6])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]N[6]2H){1|C<4>,2|H<1>,4|C<3>}	C[6](N[6]C[6a]C[6])2(C[6a]C[6a]2)(H){4|H<1>,8|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,2|H<1>,2|N<3>}	120.8715	1.406	10	120.6160	2.625	25	120.7013	2.790	44	120.7578	2.677	450	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	N[6]-3:N[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]N[6]2H)	C[6](N[6]C[6a]C[6])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]N[6]2H){1|C<4>,2|H<1>,4|C<3>}	C[6](N[6]C[6a]C[6])2(C[6a]C[6a]2)(H){4|H<1>,8|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|N<3>}	120.2330	2.858	2	120.6160	2.625	25	120.7013	2.790	44	120.7578	2.677	450	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	N[6]-3:N[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]N[6]2H)	C[6](N[6]C[6a]C[6])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]N[6]2H){1|C<4>,2|H<1>,4|C<3>}	C[6](N[6]C[6a]C[6])2(C[6a]C[6a]2)(H){4|H<1>,8|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|N<3>,3|H<1>}	120.6189	1.726	12	120.6160	2.625	25	120.7013	2.790	44	120.7578	2.677	450	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	N[6]-3:N[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]N[6]2H)	C[6](N[6]C[6a]C[6])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]H)2(C[6]N[6]2H){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[6](N[6]C[6a]C[6])2(C[6a]C[6a]2)(H){4|H<1>,8|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|O<2>,2|H<1>,2|N<3>}	122.4110	0.000	1	122.4110	0.000	1	120.7013	2.790	44	120.7578	2.677	450	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:3:1:	3:3:2:	C[6a,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:N[6]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(C[6]N[6]2H)	C[6](C[6a]C[6a,6a]C[6a])(N[6]C[6,6a]H)2(H)	C[6a](C[6a]C[6a,6a]C[6])(C[6a]C[6a]H)(OH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(C[6]N[6]2H){4|H<1>,5|C<3>}	C[6](C[6a]C[6a,6a]C[6a])(N[6]C[6,6a]H)2(H){1|O<2>,6|C<3>}	C[6a](C[6a]C[6a,6a]C[6])(C[6a]C[6a]H)(OH){2|C<3>,2|H<1>,2|N<3>}	121.0800	0.000	1	121.0800	0.000	1	121.0800	0.000	1	120.2417	6.219	30	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Br)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(C[6]C[6]2H){1|Br<1>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6]O)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Br)(OC){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	117.9610	0.000	1	117.9610	0.000	1	117.9610	0.000	1	120.2417	6.219	30	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2H){2|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){3|C<3>,3|H<1>}	123.0805	0.438	4	123.0312	0.156	5	123.1444	0.148	7	120.2417	6.219	30	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2H){2|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|N<3>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){3|C<3>,3|H<1>}	122.8340	0.000	1	123.0312	0.156	5	123.1444	0.148	7	120.2417	6.219	30	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]O)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]O)(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){3|C<3>,3|H<1>}	123.5630	0.000	1	123.5630	0.000	1	123.1444	0.148	7	120.2417	6.219	30	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]N)2(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2H){2|H<1>,2|N<3>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]N)2(H){1|H<1>,1|O<2>,1|S<2>,2|C<3>,2|N<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|O<2>,2|H<1>,3|C<3>}	123.2920	0.000	1	123.2920	0.000	1	123.1444	0.148	7	120.2417	6.219	30	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:N[6]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]N[6]2H)	C[6](C[6a]C[6a]2)(N[6]C[6,6]H)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]N[6]2H){3|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(N[6]C[6,6]H)(N[6]C[6]H)(H){1|H<1>,1|O<2>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,2|N<3>,3|H<1>}	119.7330	0.000	1	119.7330	0.000	1	118.5632	1.899	8	120.2417	6.219	30	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:N[6]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]N[6]2H)	C[6](C[6a]C[6a]2)(N[6]C[6]C)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]N[6]2H){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6a]C[6a]2)(N[6]C[6]C)(N[6]C[6]H)(H){1|N<3>,1|O<2>,1|S<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,2|N<3>,3|H<1>}	117.4155	0.426	4	117.4155	0.181	4	118.5632	1.899	8	120.2417	6.219	30	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:N[6]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]N[6]2H)	C[6](C[6a]C[6a]2)(N[6]C[6]H)2(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]N[6]2H){1|C<3>,1|N<2>,2|C<4>,3|H<1>}	C[6](C[6a]C[6a]2)(N[6]C[6]H)2(H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH){1|C<3>,2|N<3>,3|H<1>}	118.5010	0.000	1	118.5010	0.000	1	118.5632	1.899	8	120.2417	6.219	30	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:N[6]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]N[6]2H)	C[6](C[6a]C[6a]2)(N[6]N[6]H)2(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]N[6]2H){1|C<3>,2|N<3>,4|H<1>}	C[6](C[6a]C[6a]2)(N[6]N[6]H)2(H){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH){1|C<3>,2|N<3>,3|H<1>}	120.3050	0.191	2	120.3050	0.036	2	118.5632	1.899	8	120.2417	6.219	30	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:C[6]-4:	N[6]-3:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:N-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[6]N[6]2H)	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[6]N[6]2H){3|C<3>,4|H<1>}	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|H<1>,1|N<2>,1|O<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NC){1|C<3>,2|N<3>,3|H<1>}	120.6120	2.138	2	120.6120	4.572	2	120.6120	4.572	2	120.2417	6.219	30	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:C[6]-4:	N[6]-3:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]N[6]2H)	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]N[6]2H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]2)(H){1|O<2>,2|C<4>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(OH){1|C<3>,2|N<3>,3|H<1>}	118.8870	0.000	1	118.8870	0.000	1	117.8957	2.738	6	120.2417	6.219	30	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:C[6]-4:	N[6]-3:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]N[6]2H)	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]N[6]2H){1|O<2>,3|C<3>,3|H<1>}	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,2|N<3>,3|H<1>}	117.3960	0.000	1	117.3960	0.000	1	117.8957	2.738	6	120.2417	6.219	30	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:C[6]-4:	N[6]-3:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]N[6]2H)	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]N[6]2H){1|Br<1>,3|C<3>,3|H<1>}	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH){1|C<3>,2|N<3>,3|H<1>}	117.9160	1.006	2	117.9160	1.011	2	117.8957	2.738	6	120.2417	6.219	30	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:C[6]-4:	N[6]-3:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]N[6]2H)	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]N)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]N[6]2H){1|N<2>,3|C<3>,3|H<1>}	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]N)(H){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH){1|C<3>,2|N<3>,3|H<1>}	115.2520	0.000	1	115.2520	0.000	1	117.8957	2.738	6	120.2417	6.219	30	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:C[6]-4:	N[6]-3:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]N[6]2H)	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]O)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Cl)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]N[6]2H){2|Cl<1>,1|H<1>,1|O<1>,3|C<3>}	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]O)(H){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Cl)(OH){1|C<3>,2|N<3>,3|H<1>}	120.0070	0.000	1	120.0070	0.000	1	117.8957	2.738	6	120.2417	6.219	30	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:C[6]-4:	N[6]-3:N[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]N[6]2H)	C[6](N[6]C[6,6a]H)2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]N[6]2H){3|C<3>,4|H<1>}	C[6](N[6]C[6,6a]H)2(C[6a]C[6a]2)(H){1|H<1>,1|O<2>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>,3|N<3>}	120.6950	0.000	1	120.8953	0.031	3	121.8192	3.686	5	120.2417	6.219	30	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:C[6]-4:	N[6]-3:N[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]N[6]2H)	C[6](N[6]C[6,6a]H)2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]N[6]2H){3|C<3>,4|H<1>}	C[6](N[6]C[6,6a]H)2(C[6a]C[6a]2)(H){1|H<1>,1|O<2>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH){1|C<3>,2|N<3>,3|H<1>}	120.9955	0.042	2	120.8953	0.031	3	121.8192	3.686	5	120.2417	6.219	30	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:C[6]-4:	N[6]-3:N[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]N[6]2H)	C[6](N[6]C[6,6a]H)2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]N[6]2H){1|O<2>,3|C<3>,3|H<1>}	C[6](N[6]C[6,6a]H)2(C[6a]C[6a]2)(H){1|H<1>,1|O<2>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(OH){1|C<3>,2|N<3>,3|H<1>}	121.1700	0.000	1	121.1700	0.000	1	121.8192	3.686	5	120.2417	6.219	30	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:C[6]-4:	N[6]-3:N[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]N[6]2H)	C[6](N[6]C[6a]C[6])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]N[6]2H){1|C<4>,2|H<1>,4|C<3>}	C[6](N[6]C[6a]C[6])2(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,7|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC[6a]){1|C<3>,2|N<3>,3|H<1>}	125.2400	0.000	1	125.2400	0.000	1	121.8192	3.686	5	120.2417	6.219	30	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[6]C[6]2H){2|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CCH){3|C<3>,3|H<1>}	124.2120	0.000	1	124.2120	0.000	1	124.2120	0.000	1	125.5175	5.201	24	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[6]C[6]2H){3|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H){1|C<4>,2|C<3>,2|H<1>,2|N<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NOO){3|C<3>,3|H<1>}	125.2580	0.000	1	125.2580	0.000	1	126.5433	0.714	19	125.5175	5.201	24	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[6]C[6]2H){2|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|H<1>,2|C<3>,2|C<4>,2|N<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NOO){3|C<3>,3|H<1>}	126.6147	0.808	18	126.6147	0.654	18	126.5433	0.714	19	125.5175	5.201	24	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:N[6]-3:N[6]-3:H-1:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(C[6]N[6]2H)	C[6](C[6a]C[6a]2)(N[6]C[6,6]H)(N[6]C[6]C)(H)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(C[6]N[6]2H){1|N<2>,2|C<4>,3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(N[6]C[6,6]H)(N[6]C[6]C)(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,2|N<3>,3|H<1>}	120.2665	0.620	2	120.2665	0.385	2	120.2665	0.385	2	125.5175	5.201	24	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-4:	N[6]-3:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[6]N[6]2H)	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[6]N[6]2H){1|C<4>,2|C<3>,4|H<1>}	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|N<3>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NOO){1|C<3>,2|N<3>,3|H<1>}	121.5420	0.000	1	121.5420	0.000	1	121.5420	0.000	1	125.5175	5.201	24	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-4:	N[6]-3:C[6a]-3:N[6]-3:H-1:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(C[6]N[6]2H)	C[6](N[6]C[5,6,6]H)(C[6a]C[6a]2)(N[6]C[6]C)(H)	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(C[6]N[6]2H){1|Br<1>,1|N<2>,2|C<4>,2|H<1>,3|C<3>}	C[6](N[6]C[5,6,6]H)(C[6a]C[6a]2)(N[6]C[6]C)(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6a](N[5a]C[5a]N[5a])(C[6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,2|N<3>,3|H<1>}	121.8120	0.000	1	121.8120	0.000	1	121.8120	0.000	1	125.5175	5.201	24	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CC[6,6]HH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(C[6]C[6]2H){1|Br<1>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6]O)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CC[6,6]HH){1|H<1>,2|O<2>,3|C<3>}	123.2200	0.000	1	123.2200	0.000	1	123.2200	0.000	1	123.6170	5.895	3	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[6]C[6]2H){1|C<2>,2|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3){3|C<3>,3|H<1>}	121.4120	0.000	1	121.4120	0.000	1	121.4120	0.000	1	123.6170	5.895	3	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:P-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]2)(PAuCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(C[6]C[6]2H){1|H<1>,2|C<4>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|P<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]2)(PAuCC){3|H<1>,5|C<3>}	126.2190	0.000	1	126.2190	0.000	1	126.2190	0.000	1	123.6170	5.895	3	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-3:C[6a]-3:C[6]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[6]C[6]2O)	C[6](C[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]O)(OH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[6]C[6]2O){1|O<1>,2|H<1>,4|C<3>}	C[6](C[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]O)(OH){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	119.8560	0.000	1	119.8560	0.000	1	120.4056	3.533	5	120.8597	1.330	66	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-3:C[6a]-3:C[6]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O)	C[6](C[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]O)(OH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O){1|O<1>,2|H<1>,4|C<3>}	C[6](C[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]O)(OH){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,4|C<3>}	120.5430	2.141	4	120.5430	4.585	4	120.4056	3.533	5	120.8597	1.330	66	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-3:C[6]-3:C[6]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]3)	C[6](C[6a]C[6a]2)(C[6]C[6]2)(C[6]C[6]H)(C[6]C[6])	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]3){3|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]2)(C[6]C[6]H)(C[6]C[6]){1|Se<2>,4|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<2>,2|H<1>,3|C<3>}	120.8975	2.262	2	120.8975	5.117	2	120.8975	5.117	2	120.8597	1.330	66	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-3:C[6]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2O)	C[6](C[6a]C[6a]2)(C[6]C[6]O)2(OC)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2O){1|H<1>,3|C<3>,3|O<2>}	C[6](C[6a]C[6a]2)(C[6]C[6]O)2(OC){1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H){3|C<3>,3|O<2>}	118.8460	0.000	1	118.8460	0.000	1	120.8969	1.139	59	120.8597	1.330	66	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-3:C[6]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2O)	C[6](C[6a]C[6a]2)(C[6]N[6]O)2(OH)	C[6a](C[6a]C[6a]C[6])2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2O){1|C<3>,1|C<4>,1|O<2>,2|N<3>,2|O<1>}	C[6](C[6a]C[6a]2)(C[6]N[6]O)2(OH){1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])2(H){4|O<2>,5|C<3>}	120.0460	3.287	2	120.0460	10.802	2	120.8969	1.139	59	120.8597	1.330	66	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-3:C[6]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2(OC)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O){3|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2(OC){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	121.0406	1.259	24	120.9779	0.954	52	120.8969	1.139	59	120.8597	1.330	66	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-3:C[6]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2(OC)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O){3|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2(OC){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,1|O<2>,3|C<3>}	120.6070	0.344	2	120.9779	0.954	52	120.8969	1.139	59	120.8597	1.330	66	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-3:C[6]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2(OC)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O){3|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2(OC){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,4|C<3>}	120.9486	0.684	26	120.9779	0.954	52	120.8969	1.139	59	120.8597	1.330	66	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-3:C[6]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2(OH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O){3|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2(OH){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|H<1>,3|C<3>}	120.7823	0.438	4	120.7823	0.192	4	120.8969	1.139	59	120.8597	1.330	66	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-3:C[6]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2O)	C[6](C[6a]C[6a]2)(C[6]C[6]O)2(OC)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2O){1|H<1>,3|C<3>,3|O<2>}	C[6](C[6a]C[6a]2)(C[6]C[6]O)2(OC){1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|H<1>,2|O<2>,3|C<3>}	122.8660	0.000	1	122.8660	0.000	1	121.2453	7.677	3	121.2453	7.677	3	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-3:C[6]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2O)	C[6](C[6a]C[6a]2)(C[6]N[6]O)2(OH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2O){1|C<3>,1|C<4>,1|O<2>,2|N<3>,2|O<1>}	C[6](C[6a]C[6a]2)(C[6]N[6]O)2(OH){1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(OH){1|H<1>,2|O<2>,3|C<3>}	120.4350	3.379	2	120.4350	11.415	2	121.2453	7.677	3	121.2453	7.677	3	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:3:2:	3:3:4:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-3:C[6a]-3:C[6]-3:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[6]C[6]2O)	C[6](C[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]O)(OH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[6]C[6]2O){1|O<1>,2|H<1>,4|C<3>}	C[6](C[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]O)(OH){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CCHH){1|O<2>,2|H<1>,3|C<3>}	121.7080	0.000	1	121.7080	0.000	1	121.7080	0.000	1	121.7080	0.000	1	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-3:C[6]-3:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(C[6]C[6]2C)	C[6](C[6a]C[5a,6a]C[6a])(C[6]C[6]C)(C[6]C[6]O)(CHO)	C[6a](C[6a]C[5a,6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(C[6]C[6]2C){1|H<1>,1|N<3>,1|O<1>,3|C<3>,3|C<4>}	C[6](C[6a]C[5a,6a]C[6a])(C[6]C[6]C)(C[6]C[6]O)(CHO){2|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[5a,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,5|C<3>}	117.3665	0.414	2	117.3665	0.171	2	117.3665	0.171	2	120.6836	3.489	22	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-3:C[6a]-3:C[6]-3:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C)	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]C[6]C)(COO)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C){1|O<1>,2|H<1>,4|C<3>}	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]C[6]C)(COO){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,4|C<3>}	120.9922	1.673	4	120.8712	2.233	12	120.8712	2.233	12	120.6836	3.489	22	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-3:C[6a]-3:C[6]-3:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C)	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]C[6]C)(COO)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C){1|O<1>,2|H<1>,4|C<3>}	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]C[6]C)(COO){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,4|C<3>}	120.8107	1.516	8	120.8712	2.233	12	120.8712	2.233	12	120.6836	3.489	22	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-3:C[6a]-3:C[6]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2N)	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]O[6]O)(NCC)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2N){1|O<2>,2|C<3>,2|H<1>,2|O<1>}	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]O[6]O)(NCC){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|H<1>,3|C<3>}	120.4340	4.412	2	120.4340	19.469	2	120.4340	19.469	2	120.6836	3.489	22	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-3:C[6]-3:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C)	C[6](C[6a]C[6a]2)(C[6]C[6]O)2(CCH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]O)2(CCH){1|C<4>,2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	121.5768	0.638	4	121.5768	0.408	4	121.5768	0.408	4	120.6836	3.489	22	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-3:C[6]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]3)	C[6](C[6a]C[6a]2)(C[6]C[6]2)(C[6]C[6]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]3){1|C<2>,4|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]2)(C[6]C[6]H)2{1|Se<2>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,4|C<3>}	121.3380	1.116	2	121.3380	1.245	2	121.3380	1.245	2	120.6836	3.489	22	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-3:C[6]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[6]C[6]2C)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2(CC[5]HH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[6]C[6]2C){1|O<2>,3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2(CC[5]HH){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H){1|O<2>,2|C<4>,3|C<3>}	115.4930	0.000	1	115.4930	0.000	1	120.7502	3.206	51	120.7511	3.050	59	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-3:C[6]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2C)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]O)(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2C){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]O)(CH3){1|Br<1>,1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H){1|C<4>,2|O<2>,3|C<3>}	123.1010	0.000	1	123.1010	0.000	1	120.7502	3.206	51	120.7511	3.050	59	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-3:C[6]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C){2|C<4>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(CH3){1|S<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	121.0545	0.916	2	121.0545	0.839	2	120.7502	3.206	51	120.7511	3.050	59	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-3:C[6]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C){3|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2(CH3){1|S<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	121.4427	0.896	4	120.9405	3.423	10	120.7502	3.206	51	120.7511	3.050	59	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-3:C[6]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C){3|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2(CH3){1|S<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	120.9830	0.474	2	120.9405	3.423	10	120.7502	3.206	51	120.7511	3.050	59	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-3:C[6]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C){3|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2(CH3){1|S<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	120.4170	2.948	4	120.9405	3.423	10	120.7502	3.206	51	120.7511	3.050	59	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-3:C[6]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C)	C[6](C[6a]C[6a]2)(C[6]N[6]O)(C[6]N[6]S)(CCHH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C){1|C<3>,1|O<1>,1|S<1>,2|H<1>,2|N<3>}	C[6](C[6a]C[6a]2)(C[6]N[6]O)(C[6]N[6]S)(CCHH){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	120.8492	2.208	4	120.8492	4.874	4	120.7502	3.206	51	120.7511	3.050	59	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-3:C[6]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C)	C[6](C[6a]C[6a]2)(C[6]N[6]O)2(CCHH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C){1|C<3>,2|H<1>,2|N<3>,2|O<1>}	C[6](C[6a]C[6a]2)(C[6]N[6]O)2(CCHH){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	120.8053	2.401	4	120.8116	2.394	23	120.7502	3.206	51	120.7511	3.050	59	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-3:C[6]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C)	C[6](C[6a]C[6a]2)(C[6]N[6]O)2(CCHH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C){1|C<3>,2|H<1>,2|N<3>,2|O<1>}	C[6](C[6a]C[6a]2)(C[6]N[6]O)2(CCHH){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	120.8129	1.402	19	120.8116	2.394	23	120.7502	3.206	51	120.7511	3.050	59	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-3:C[6]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C)	C[6](C[6a]C[6a]2)(C[6]N[6]S)2(CCHH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C){1|C<3>,2|H<1>,2|N<3>,2|S<1>}	C[6](C[6a]C[6a]2)(C[6]N[6]S)2(CCHH){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	121.0365	2.799	2	121.0365	7.837	2	120.7502	3.206	51	120.7511	3.050	59	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-3:C[6]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C)	C[6](C[6a]C[6a]2)(C[6]N[6]S)2(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C){1|C<3>,2|H<1>,2|N<3>,2|S<1>}	C[6](C[6a]C[6a]2)(C[6]N[6]S)2(CH3){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	120.5547	1.978	4	120.5547	3.912	4	120.7502	3.206	51	120.7511	3.050	59	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-3:C[6]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C)	C[6](C[6a]C[6a]2)(C[6]O[6]O)(C[6]S[6]N)(CCHH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C){1|C<3>,1|N<2>,1|O<1>,1|O<2>,1|S<2>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]O[6]O)(C[6]S[6]N)(CCHH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	120.4405	2.668	2	120.4405	7.118	2	120.7502	3.206	51	120.7511	3.050	59	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-3:C[6]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C)	C[6](C[6a]C[6a]2)(C[6]O[6]O)(C[6]S[6]S)(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C){1|C<3>,1|O<1>,1|O<2>,1|S<1>,1|S<2>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]O[6]O)(C[6]S[6]S)(CH3){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	120.4585	0.374	2	120.4585	0.140	2	120.7502	3.206	51	120.7511	3.050	59	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:N[6]-3:N[6]-3:C-4:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(C[6]N[6]2C)	C[6](C[6a]C[6a]2)(N[6]C[6]H)2(CF3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(C[6]N[6]2C){2|C<4>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]H)2(CF3){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])(H){1|C<4>,1|H<1>,1|O<2>,2|N<3>,3|C<3>}	120.1050	0.170	2	120.1050	0.029	2	120.1050	0.029	2	120.7511	3.050	59	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	N[6]-3:C[6a]-3:N[6]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]N[6]2C)	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]H)(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]N[6]2C){3|C<3>,4|H<1>}	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]H)(CH3){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,2|N<3>}	121.3760	0.375	2	120.9742	3.094	6	120.9742	3.094	6	120.7511	3.050	59	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	N[6]-3:C[6a]-3:N[6]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]N[6]2C)	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]H)(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]N[6]2C){3|C<3>,4|H<1>}	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]H)(CH3){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|N<3>}	120.7733	2.224	4	120.9742	3.094	6	120.9742	3.094	6	120.7511	3.050	59	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:3:4:	3:3:2:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-3:C[6]-3:C-4:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2C)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]O)(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2C){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]O)(CH3){1|Br<1>,1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	118.4510	0.000	1	118.4510	0.000	1	120.6123	29.310	3	120.8012	14.730	5	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:3:4:	3:3:2:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-3:C[6]-3:C-4:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]O)2(C[6]C[6]2C)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]O)(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]O)2(C[6]C[6]2C){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]O)(CH3){2|O<2>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|C<4>,2|O<2>,3|C<3>}	121.6930	7.184	2	121.6930	51.613	2	120.6123	29.310	3	120.8012	14.730	5	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:3:4:	3:3:2:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:N[6]-3:N[6]-3:C-4:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(C[6]N[6]2C)	C[6](C[6a]C[6a]2)(N[6]C[6]H)2(CF3)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])(OH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(C[6]N[6]2C){2|C<4>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]H)2(CF3){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])(OH){1|C<4>,1|H<1>,2|N<3>,4|C<3>}	121.0845	0.176	2	121.0845	0.031	2	121.0845	0.031	2	120.8012	14.730	5	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-3:C[6]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[6]C[6]2C)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2(CC[5]HH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CC[5]HH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[6]C[6]2C){1|O<2>,3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2(CC[5]HH){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CC[5]HH){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	126.1420	0.000	1	126.1420	0.000	1	126.1420	0.000	1	126.1420	0.000	1	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:4:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]2H)	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6,6a]O)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a,6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]2H){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6,6a]O)(C[6]C[6]HH)(H){3|H<1>,5|C<3>}	C[6a](C[6a]C[6a,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	119.6700	0.040	2	119.6700	0.002	2	119.6700	0.002	2	120.8731	3.030	50	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-3:C[6a]-3:C[6]-4:F-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2F)	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]C[6]HH)(F)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2F){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]C[6]HH)(F){4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|F<1>,1|H<1>,1|N<3>,2|C<3>}	120.2280	0.720	4	120.2280	0.518	4	120.2280	0.518	4	120.8731	3.030	50	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2H)	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2H){1|C<4>,2|C<3>,5|H<1>}	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|Cl<1>,1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl){1|C<4>,2|C<3>,3|H<1>}	123.3345	0.747	4	123.3345	0.557	4	123.3345	0.557	4	120.8731	3.030	50	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2H)	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2H){1|C<4>,2|C<3>,5|H<1>}	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|Cl<1>,1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	119.0605	1.137	4	119.0605	1.292	4	120.7516	2.970	40	120.8731	3.030	50	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[5,6]C)(C[6a]C[6a]2)(C[6]C[6]CC)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,2|C<3>,2|H<1>,3|C<2>}	C[6](C[6]C[5,6]C)(C[6a]C[6a]2)(C[6]C[6]CC)(H){2|N<3>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.5020	2.116	2	120.5020	4.476	2	120.7516	2.970	40	120.8731	3.030	50	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[5,6]C)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,3|H<1>,4|C<3>}	C[6](C[6]C[5,6]C)(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|O<2>,2|H<1>,2|N<3>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	121.0410	0.804	4	121.0993	2.773	6	120.7516	2.970	40	120.8731	3.030	50	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[5,6]C)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){3|H<1>,5|C<3>}	C[6](C[6]C[5,6]C)(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|O<1>,2|C<3>,2|H<1>,2|N<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	121.2160	3.448	2	121.0993	2.773	6	120.7516	2.970	40	120.8731	3.030	50	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.8970	1.030	2	120.8970	1.060	2	120.7516	2.970	40	120.8731	3.030	50	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){3|C<3>,5|H<1>}	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	120.4010	1.038	2	120.4698	2.804	4	120.7516	2.970	40	120.8731	3.030	50	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){3|C<3>,5|H<1>}	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.5385	2.705	2	120.4698	2.804	4	120.7516	2.970	40	120.8731	3.030	50	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(C[6]C[6]HO)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(C[6]C[6]HO)(H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	121.0735	2.302	2	121.0735	5.298	2	120.7516	2.970	40	120.8731	3.030	50	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6,6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,2|C<3>,5|H<1>}	C[6](C[6]C[6,6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.8915	3.427	2	120.8915	11.747	2	120.7516	2.970	40	120.8731	3.030	50	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]N[6]CH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]N[6]CH)(H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.9705	2.261	2	120.9705	5.110	2	120.7516	2.970	40	120.8731	3.030	50	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]O[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]O[6]HH)(H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	121.0520	1.876	6	121.0520	3.521	6	120.7516	2.970	40	120.8731	3.030	50	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]CC)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){2|C<2>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]CC)(H){1|N<3>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	120.9990	3.373	2	120.9990	11.376	2	120.7516	2.970	40	120.8731	3.030	50	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,3|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|C<4>,1|O<2>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	121.3135	0.518	2	121.3135	0.269	2	120.7516	2.970	40	120.8731	3.030	50	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Br)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|Br<1>,3|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Br)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	119.3800	0.000	1	119.3800	0.000	1	120.7516	2.970	40	120.8731	3.030	50	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|Br<1>,3|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	123.2030	0.000	1	121.7183	4.313	3	120.7516	2.970	40	120.8731	3.030	50	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){2|C<4>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|F<1>,2|C<3>,2|H<1>}	120.9760	2.307	2	121.7183	4.313	3	120.7516	2.970	40	120.8731	3.030	50	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HO)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|O<2>,3|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HO)(H){1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.6030	2.257	2	120.6030	5.094	2	120.7516	2.970	40	120.8731	3.030	50	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:4:1:	3:3:2:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]O)2(C[6]C[6]2H)	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]O[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]O)2(C[6]C[6]2H){1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]O[6]HH)(H){2|O<2>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	121.4705	0.049	2	121.4705	0.002	2	121.4705	0.002	2	121.4705	0.002	2	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:4:2:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-3:C[6a]-3:C[6]-4:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O)	C[6](C[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]N[6]HH)(OH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O){1|N<3>,3|C<3>,4|H<1>}	C[6](C[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]N[6]HH)(OH){1|S<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.7965	3.408	2	120.7965	11.611	2	120.9044	4.075	28	120.8803	3.825	30	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:4:2:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-3:C[6a]-3:C[6]-4:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O)	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]C[6]CC)(OH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]C[6]CC)(OH){4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.9035	3.191	2	120.9035	10.184	2	120.9044	4.075	28	120.8803	3.825	30	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:4:2:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-3:C[6a]-3:C[6]-4:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O)	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]C[6]CH)(OH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]C[6]CH)(OH){4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,1|H<1>,1|O<2>,2|C<3>}	121.4305	4.099	2	121.2853	5.206	8	120.9044	4.075	28	120.8803	3.825	30	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:4:2:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-3:C[6a]-3:C[6]-4:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O)	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]C[6]CH)(OH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]C[6]CH)(OH){4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,1|H<1>,1|O<2>,2|C<3>}	121.2368	1.979	6	121.2853	5.206	8	120.9044	4.075	28	120.8803	3.825	30	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:4:2:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-3:C[6a]-3:C[6]-4:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O)	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]N[6]HH)(OH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O){1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]N[6]HH)(OH){1|S<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.4570	3.927	2	120.4570	15.423	2	120.9044	4.075	28	120.8803	3.825	30	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:4:2:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-3:C[6a]-3:C[6]-4:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O)	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]O[6]CH)(OH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]O[6]CH)(OH){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.9522	1.760	4	120.9522	3.098	4	120.9044	4.075	28	120.8803	3.825	30	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:4:2:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-3:C[6a]-3:C[6]-4:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O)	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]O[6]HH)(OC)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O){1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]O[6]HH)(OC){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.4090	2.055	2	120.4090	4.222	2	120.9044	4.075	28	120.8803	3.825	30	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:4:2:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-3:C[6a]-3:C[6]-4:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O)	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]O[6]HO)(OC)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Br)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O){1|Br<1>,1|O<1>,2|C<3>,2|H<1>,2|O<2>}	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]O[6]HO)(OC){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	122.9370	0.000	1	122.9370	0.000	1	120.9044	4.075	28	120.8803	3.825	30	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:4:2:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-3:C[6a]-3:C[6]-4:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O)	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]O[6]HO)(OC)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O){1|Br<1>,1|O<1>,2|C<3>,2|H<1>,2|O<2>}	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]O[6]HO)(OC){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	119.5470	0.000	1	119.5470	0.000	1	120.9044	4.075	28	120.8803	3.825	30	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:4:2:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-3:C[6a]-3:C[6]-4:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O)	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]N[6]CH)(OH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O){1|N<3>,3|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]N[6]CH)(OH){2|C<4>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,1|H<1>,1|O<2>,2|C<3>}	121.0250	3.502	2	121.0250	12.261	2	120.9044	4.075	28	120.8803	3.825	30	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:4:2:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-3:C[6a]-3:C[6]-4:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O)	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]O[6]CH)(OH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]O[6]CH)(OH){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.7040	0.335	2	120.7040	0.112	2	120.9044	4.075	28	120.8803	3.825	30	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:4:2:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-3:C[6a]-3:C[6]-4:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O)	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]O[6]HH)(OH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O){2|O<2>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]O[6]HH)(OH){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	119.3890	0.000	1	119.3890	0.000	1	120.9044	4.075	28	120.8803	3.825	30	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:4:2:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-3:C[6a]-3:C[6]-4:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O)	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]O[6]HH)(OH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O){2|O<2>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]O[6]HH)(OH){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.7680	0.000	1	120.7680	0.000	1	120.9044	4.075	28	120.8803	3.825	30	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:4:2:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-3:C[6a]-3:C[6]-4:S-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2S)	C[6](C[6]N[5,6]O)(C[6a]C[6a]2)(C[6]C[6]HH)(SC)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2S){1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[6](C[6]N[5,6]O)(C[6a]C[6a]2)(C[6]C[6]HH)(SC){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|S<2>,2|C<3>,2|H<1>}	120.5435	0.797	2	120.5435	0.635	2	120.5435	0.635	2	120.8803	3.825	30	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:4:3:	3:3:1:	C[5,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-3:C[6]-4:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(C[6]C[6]2C)	C[6](C[6a]C[5,6a]C[6a])(C[6]C[5,6]O)(C[6]C[6]CC)(CHO)	C[6a](C[6a]C[5,6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(C[6]C[6]2C){1|H<1>,1|N<3>,1|O<1>,1|O<2>,3|C<4>,4|C<3>}	C[6](C[6a]C[5,6a]C[6a])(C[6]C[5,6]O)(C[6]C[6]CC)(CHO){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[6a](C[6a]C[5,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	117.5180	0.000	1	117.5180	0.000	1	117.5180	0.000	1	117.5180	0.000	1	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:4:4:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-3:C[6a]-3:C[6]-4:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(C[6]C[6]2C)	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]C[6]HH)(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(C[6]C[6]2C){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]C[6]HH)(CH3){1|I<1>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H){1|I<1>,1|O<2>,2|C<3>,2|C<4>}	119.2330	0.000	1	119.2330	0.000	1	120.2897	7.494	3	121.3215	9.255	4	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:4:4:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-3:C[6a]-3:C[6]-4:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C)	C[6](C[6]C[5a,6]O)(C[6a]C[6a]2)(C[6]C[6]HH)(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6]C[5a,6]O)(C[6a]C[6a]2)(C[6]C[6]HH)(CH3){1|N<3>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	123.3980	0.000	1	123.3980	0.000	1	120.2897	7.494	3	121.3215	9.255	4	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:4:4:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-3:C[6a]-3:C[6]-4:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C)	C[6](C[6]C[5a,6]O)(C[6a]C[6a]2)(C[6]C[6]HH)(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6]C[5a,6]O)(C[6a]C[6a]2)(C[6]C[6]HH)(CH3){1|N<3>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H){2|C<3>,2|C<4>,2|H<1>}	118.2380	0.000	1	118.2380	0.000	1	120.2897	7.494	3	121.3215	9.255	4	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:3:4:4:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-3:C[6a]-3:C[6]-4:C-4:	C[6a]-3:C[6a]-3:I-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(C[6]C[6]2C)	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]C[6]HH)(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(I)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(C[6]C[6]2C){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]C[6]HH)(CH3){1|I<1>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(I){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	124.4170	0.000	1	124.4170	0.000	1	124.4170	0.000	1	121.3215	9.255	4	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:2:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]N[6]CC)(C[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<2>,1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]N[6]CC)(C[6]C[6])(H){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	121.5085	1.682	2	121.5085	2.830	2	121.5085	2.830	2	121.5085	2.830	2	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(C[6]C[6]2H)	C[6](C[6a]C[5,6a]C[6a])(C[6]C[6]CC)(C[6]C[6]O)(H)	C[6a](C[6a]C[5,6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(C[6]C[6]2H){1|N<3>,1|O<1>,2|C<3>,2|H<1>,5|C<4>}	C[6](C[6a]C[5,6a]C[6a])(C[6]C[6]CC)(C[6]C[6]O)(H){2|C<3>,3|C<4>,4|H<1>}	C[6a](C[6a]C[5,6a]C[6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	117.0960	0.328	2	117.0960	0.108	2	117.0960	0.108	2	120.8889	2.095	285	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[5,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(C[6]C[6]2O)	C[6](C[6a]C[5,6a]C[6a])(C[6]C[6]HO)(C[6]C[6]H)(O)	C[6a](C[6a]C[5,6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(C[6]C[6]2O){1|N<3>,1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[6](C[6a]C[5,6a]C[6a])(C[6]C[6]HO)(C[6]C[6]H)(O){2|C<3>,3|C<4>,3|H<1>}	C[6a](C[6a]C[5,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	121.3760	0.000	1	121.3760	0.000	1	121.3760	0.000	1	120.8889	2.095	285	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(C[6]C[6]2H)	C[6](C[6a]C[5a,6a]C[6a])(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6a](C[6a]C[5a,6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(C[6]C[6]2H){1|N<3>,1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[6](C[6a]C[5a,6a]C[6a])(C[6]C[6]HH)(C[6]C[6]O)(H){2|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[5a,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	118.6230	0.000	1	118.1775	0.397	2	118.4608	0.241	4	120.8889	2.095	285	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(C[6]C[6]2H)	C[6](C[6a]C[5a,6a]C[6a])(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6a](C[6a]C[5a,6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(C[6]C[6]2H){1|N<3>,1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[6](C[6a]C[5a,6a]C[6a])(C[6]C[6]HH)(C[6]C[6]O)(H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[5a,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	117.7320	0.000	1	118.1775	0.397	2	118.4608	0.241	4	120.8889	2.095	285	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(C[6]C[6]2H)	C[6](C[6a]C[5a,6a]C[6a])(C[6]N[6]HH)(C[6]C[6]H)(H)	C[6a](C[6a]C[5a,6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(C[6]C[6]2H){1|C<4>,2|N<3>,3|C<3>,4|H<1>}	C[6](C[6a]C[5a,6a]C[6a])(C[6]N[6]HH)(C[6]C[6]H)(H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[5a,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	118.7440	0.066	2	118.7440	0.004	2	118.4608	0.241	4	120.8889	2.095	285	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(C[6]C[6]2H)	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(C[6]C[6]2H){1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)(C[6]C[6]O)(H){1|C<4>,3|C<3>,5|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6])(H){1|C<4>,2|H<1>,5|C<3>}	121.3800	0.000	1	121.3800	0.000	1	121.3800	0.000	1	120.8889	2.095	285	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]2H)	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6a](C[6a]C[6a,6a]C[6])(C[6a]C[5,6a]H)(H)	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]2H){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)(C[6]C[6]O)(H){1|C<4>,3|C<3>,5|H<1>}	C[6a](C[6a]C[6a,6a]C[6])(C[6a]C[5,6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	123.2160	0.000	1	123.2160	0.000	1	121.5424	1.158	5	120.8889	2.095	285	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]2H)	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]CH)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a,6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]2H){1|C<4>,3|H<1>,6|C<3>}	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]CH)(C[6]C[6]C)(H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	121.1985	0.223	2	120.9063	0.281	3	121.5424	1.158	5	120.8889	2.095	285	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]2H)	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]CH)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a,6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]2H){1|C<4>,3|H<1>,6|C<3>}	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]CH)(C[6]C[6]C)(H){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	120.3220	0.000	1	120.9063	0.281	3	121.5424	1.158	5	120.8889	2.095	285	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]2H)	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6a](C[6a]C[6a,6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]2H){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)(C[6]C[6]O)(H){1|C<4>,3|C<3>,5|H<1>}	C[6a](C[6a]C[6a,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	121.7770	0.000	1	121.7770	0.000	1	121.5424	1.158	5	120.8889	2.095	285	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-3:F-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2F)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]N)(F)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2F){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]N)(F){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|F<1>,2|C<3>,2|H<1>}	120.2135	1.991	2	120.2135	3.962	2	120.3165	2.261	4	120.8889	2.095	285	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-3:F-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2F)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)(F)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2F){1|C<3>,1|I<1>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)(F){1|C<4>,2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|F<1>,2|C<3>,2|H<1>}	121.5980	0.000	1	121.5980	0.000	1	120.3165	2.261	4	120.8889	2.095	285	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-3:F-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2F)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)(F)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]I)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2F){1|C<3>,1|I<1>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)(F){1|C<4>,2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]I)(H){1|C<4>,1|F<1>,2|C<3>,2|H<1>}	119.2410	0.000	1	119.2410	0.000	1	120.3165	2.261	4	120.8889	2.095	285	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[6])(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(C[6]C[6]2H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H){1|O<2>,2|C<3>,6|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[6])(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	119.9840	0.722	3	119.9840	0.522	3	119.9840	0.522	3	120.8889	2.095	285	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:Br-1:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(C[6]C[6]2H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H){1|Br<1>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Br){1|C<4>,2|C<3>,3|H<1>}	122.7617	1.474	3	122.6495	1.498	4	122.6495	1.498	4	120.8889	2.095	285	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:Br-1:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(C[6]C[6]2H){4|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H){1|Br<1>,1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Br){1|C<4>,2|C<3>,3|H<1>}	122.3130	0.000	1	122.6495	1.498	4	122.6495	1.498	4	120.8889	2.095	285	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2H){1|C<2>,1|C<4>,2|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]C)(H){1|Cl<1>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	122.4480	0.000	1	122.4480	0.000	1	122.2668	0.300	6	120.8889	2.095	285	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2H){1|C<2>,3|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H){1|Cl<1>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl){1|C<4>,2|C<3>,3|H<1>}	121.9970	0.350	4	121.9970	0.122	4	122.2668	0.300	6	120.8889	2.095	285	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2H){1|C<4>,2|C<3>,5|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)(H){1|Cl<1>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	123.1650	0.000	1	123.1650	0.000	1	122.2668	0.300	6	120.8889	2.095	285	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]N)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(F)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(C[6]C[6]2H){1|N<3>,3|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]N)(H){1|F<1>,1|H<1>,1|O<1>,2|C<3>,2|N<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(F){1|C<4>,2|C<3>,3|H<1>}	119.2150	0.000	1	119.2150	0.000	1	119.2150	0.000	1	120.8889	2.095	285	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[5,6a]H)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(C[6]C[6]2H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H){1|O<2>,2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[5,6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.3883	0.485	3	120.3883	0.235	3	120.9063	1.938	254	120.8889	2.095	285	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(C[6]C[6]2H){4|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H){1|Br<1>,1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	121.3250	0.000	1	121.3250	0.000	1	120.9063	1.938	254	120.8889	2.095	285	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(C[6]C[6]2H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H){1|Br<1>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	121.0663	1.277	3	121.0663	1.631	3	120.9063	1.938	254	120.8889	2.095	285	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[6]C[6]2H){1|N<3>,2|C<3>,5|H<1>}	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(C[6]C[6]H)(H){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	116.2000	0.557	2	116.2000	0.310	2	120.9063	1.938	254	120.8889	2.095	285	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2H){1|C<2>,1|C<4>,2|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]C)(H){1|Cl<1>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	121.2500	0.000	1	121.2500	0.000	1	120.9063	1.938	254	120.8889	2.095	285	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2H){1|C<2>,3|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H){1|Cl<1>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	121.4285	0.567	4	121.4285	0.322	4	120.9063	1.938	254	120.8889	2.095	285	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2H){1|C<4>,2|C<3>,5|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)(H){1|Cl<1>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	120.3300	0.000	1	120.3300	0.000	1	120.9063	1.938	254	120.8889	2.095	285	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]N)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(C[6]C[6]2H){1|N<3>,3|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]N)(H){1|F<1>,1|H<1>,1|O<1>,2|C<3>,2|N<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|F<1>,2|C<3>,2|H<1>}	124.3640	0.000	1	124.3640	0.000	1	120.9063	1.938	254	120.8889	2.095	285	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[6]C[6]2H){1|C<4>,3|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]C)(H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	120.0660	0.000	1	120.0660	0.000	1	120.9063	1.938	254	120.8889	2.095	285	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[6]C[6]2H){4|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>,2|N<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	120.4230	0.000	1	120.4230	0.000	1	120.9063	1.938	254	120.8889	2.095	285	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]O[6]O)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2H){1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]O[6]O)(H){1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	123.6370	0.000	1	123.6370	0.000	1	120.9063	1.938	254	120.8889	2.095	285	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2H){4|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>,2|O<2>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	122.2580	0.000	1	122.2580	0.000	1	120.9063	1.938	254	120.8889	2.095	285	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.5160	0.000	1	120.5160	0.000	1	120.9063	1.938	254	120.8889	2.095	285	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)(H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	120.6050	0.000	1	120.6050	0.000	1	120.9063	1.938	254	120.8889	2.095	285	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]HO)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HO)(C[6]C[6]H)(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	119.2440	0.000	1	119.2440	0.000	1	120.9063	1.938	254	120.8889	2.095	285	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]BH)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|B<4>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]BH)(C[6]C[6]C)(H){1|N<3>,2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	121.3190	1.014	2	121.3190	1.028	2	120.9063	1.938	254	120.8889	2.095	285	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,2|C<2>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]C)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.7700	2.349	2	120.8122	1.347	18	120.9063	1.938	254	120.8889	2.095	285	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,2|C<2>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]C)(H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.4650	1.814	2	120.8122	1.347	18	120.9063	1.938	254	120.8889	2.095	285	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,2|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]C)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	121.1052	0.835	4	120.8122	1.347	18	120.9063	1.938	254	120.8889	2.095	285	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,2|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]C)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	121.0515	2.638	2	120.8122	1.347	18	120.9063	1.938	254	120.8889	2.095	285	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){2|C<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]C)(H){2|C<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.6625	0.974	4	120.8122	1.347	18	120.9063	1.938	254	120.8889	2.095	285	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){2|C<4>,2|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]C)(H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.7970	0.004	2	120.8122	1.347	18	120.9063	1.938	254	120.8889	2.095	285	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){2|C<4>,2|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]C)(H){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	120.6905	1.169	2	120.8122	1.347	18	120.9063	1.938	254	120.8889	2.095	285	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,2|C<2>,2|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]H)(H){2|C<3>,3|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.7502	2.283	4	120.8858	2.124	16	120.9063	1.938	254	120.8889	2.095	285	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,3|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]H)(H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.8875	1.426	6	120.8858	2.124	16	120.9063	1.938	254	120.8889	2.095	285	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){2|C<3>,3|C<4>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]H)(H){1|S<2>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.8795	1.251	4	120.8858	2.124	16	120.9063	1.938	254	120.8889	2.095	285	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){2|C<4>,3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]H)(H){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	121.1645	1.060	2	120.8858	2.124	16	120.9063	1.938	254	120.8889	2.095	285	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Cl)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|Cl<1>,1|C<4>,2|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]C)(H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Cl)(H){1|C<4>,2|C<3>,3|H<1>}	120.2930	0.000	1	120.2930	0.000	1	120.9063	1.938	254	120.8889	2.095	285	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]C)(H){2|O<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	120.9685	0.766	2	121.0735	2.428	19	120.9063	1.938	254	120.8889	2.095	285	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]C)(H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	122.5060	0.000	1	121.0735	2.428	19	120.9063	1.938	254	120.8889	2.095	285	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]C)(H){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.7990	0.000	1	121.0735	2.428	19	120.9063	1.938	254	120.8889	2.095	285	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,3|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]C)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	121.2410	0.885	2	121.0735	2.428	19	120.9063	1.938	254	120.8889	2.095	285	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,3|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]C)(H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	121.2385	0.979	2	121.0735	2.428	19	120.9063	1.938	254	120.8889	2.095	285	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,3|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]C)(H){1|N<3>,1|O<2>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	120.5335	1.736	2	121.0735	2.428	19	120.9063	1.938	254	120.8889	2.095	285	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|Cl<1>,1|C<4>,2|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]C)(H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.8550	0.000	1	121.0735	2.428	19	120.9063	1.938	254	120.8889	2.095	285	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){2|C<4>,3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]C)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	120.9865	2.722	2	121.0735	2.428	19	120.9063	1.938	254	120.8889	2.095	285	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){3|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]C)(H){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	120.8180	1.687	2	121.0735	2.428	19	120.9063	1.938	254	120.8889	2.095	285	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){3|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]C)(H){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	121.2740	3.946	2	121.0735	2.428	19	120.9063	1.938	254	120.8889	2.095	285	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){3|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]C)(H){1|S<1>,2|C<3>,2|H<1>,2|N<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	121.0585	3.068	2	121.0735	2.428	19	120.9063	1.938	254	120.8889	2.095	285	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]N)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]C)(H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]N)(H){1|C<4>,2|C<3>,3|H<1>}	119.6440	0.000	1	119.6440	0.000	1	120.9063	1.938	254	120.8889	2.095	285	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]C)(H){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H){1|C<4>,2|C<3>,3|H<1>}	119.4460	0.000	1	119.9393	2.797	3	120.9063	1.938	254	120.8889	2.095	285	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|H<1>,2|C<4>,2|O<2>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]C)(H){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.1860	2.287	2	119.9393	2.797	3	120.9063	1.938	254	120.8889	2.095	285	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<2>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)(H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|F<1>,2|C<3>,2|H<1>}	119.3220	0.000	1	120.8015	0.921	27	120.9063	1.938	254	120.8889	2.095	285	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	121.0475	1.006	2	120.8015	0.921	27	120.9063	1.938	254	120.8889	2.095	285	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	120.8250	1.730	2	120.8015	0.921	27	120.9063	1.938	254	120.8889	2.095	285	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)(H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.7370	0.301	2	120.8015	0.921	27	120.9063	1.938	254	120.8889	2.095	285	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)(H){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	121.1135	1.727	2	120.8015	0.921	27	120.9063	1.938	254	120.8889	2.095	285	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)(H){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	120.7005	1.056	6	120.8015	0.921	27	120.9063	1.938	254	120.8889	2.095	285	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)(H){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.6725	2.411	2	120.8015	0.921	27	120.9063	1.938	254	120.8889	2.095	285	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)(H){2|C<3>,3|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.5360	0.293	2	120.8015	0.921	27	120.9063	1.938	254	120.8889	2.095	285	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)(H){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	121.0315	0.810	2	120.8015	0.921	27	120.9063	1.938	254	120.8889	2.095	285	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)(H){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|F<1>,2|C<3>,2|H<1>}	120.9560	0.600	2	120.8015	0.921	27	120.9063	1.938	254	120.8889	2.095	285	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)(H){1|N<3>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	121.1005	1.063	2	120.8015	0.921	27	120.9063	1.938	254	120.8889	2.095	285	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)(H){2|O<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	121.0385	0.230	2	120.8015	0.921	27	120.9063	1.938	254	120.8889	2.095	285	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<2>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)(H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H){1|C<4>,1|F<1>,2|C<3>,2|H<1>}	121.7050	0.000	1	121.7050	0.000	1	120.9063	1.938	254	120.8889	2.095	285	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]O)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]O)(H){1|C<4>,2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	121.2007	0.723	4	121.1515	0.569	6	120.9063	1.938	254	120.8889	2.095	285	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]O)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]O)(H){3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|I<1>,2|C<3>,2|H<1>}	121.0530	1.119	2	121.1515	0.569	6	120.9063	1.938	254	120.8889	2.095	285	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]N[6]O)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]N[6]O)(H){1|S<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.9495	0.064	2	120.9495	0.004	2	120.9063	1.938	254	120.8889	2.095	285	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]CN)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Cl)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|Cl<1>,1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CN)(C[6]C[6]H)(H){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Cl)(H){1|C<4>,2|C<3>,3|H<1>}	119.5960	0.000	1	119.5960	0.000	1	120.9063	1.938	254	120.8889	2.095	285	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]CN)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CN)(C[6]C[6]H)(H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.7960	0.904	2	121.3077	1.194	3	120.9063	1.938	254	120.8889	2.095	285	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]CN)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|Cl<1>,1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CN)(C[6]C[6]H)(H){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	122.3310	0.000	1	121.3077	1.194	3	120.9063	1.938	254	120.8889	2.095	285	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]CO)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[6](C[6a]C[6a]2)(C[6]C[6]CO)(C[6]C[6]C)(H){1|C<4>,2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	122.2420	3.157	5	122.2420	9.964	5	120.9063	1.938	254	120.8889	2.095	285	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]CS)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,1|S<2>,3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CS)(C[6]C[6]H)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.5332	1.481	4	120.5332	2.194	4	120.9063	1.938	254	120.8889	2.095	285	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<2>,1|C<4>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	121.1465	1.503	2	120.9763	3.103	46	120.9063	1.938	254	120.8889	2.095	285	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<2>,1|C<4>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,2|H<1>,2|O<2>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	121.1523	1.570	4	120.9763	3.103	46	120.9063	1.938	254	120.8889	2.095	285	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<2>,1|C<4>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H){1|N<3>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	121.1465	2.208	6	120.9763	3.103	46	120.9063	1.938	254	120.8889	2.095	285	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<2>,3|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|S<2>,2|C<3>,2|H<1>}	120.9290	0.925	2	120.9763	3.103	46	120.9063	1.938	254	120.8889	2.095	285	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<2>,3|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.4840	2.700	2	120.9763	3.103	46	120.9063	1.938	254	120.8889	2.095	285	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<2>,3|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H){1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.7510	4.231	2	120.9763	3.103	46	120.9063	1.938	254	120.8889	2.095	285	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	119.6920	0.000	2	120.9763	3.103	46	120.9063	1.938	254	120.8889	2.095	285	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	121.1080	0.458	2	120.9763	3.103	46	120.9063	1.938	254	120.8889	2.095	285	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	121.5155	2.935	2	120.9763	3.103	46	120.9063	1.938	254	120.8889	2.095	285	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H){1|N<3>,1|O<2>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.7205	1.899	2	120.9763	3.103	46	120.9063	1.938	254	120.8889	2.095	285	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	121.1160	2.974	2	120.9763	3.103	46	120.9063	1.938	254	120.8889	2.095	285	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H){1|N<3>,2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.9495	3.195	2	120.9763	3.103	46	120.9063	1.938	254	120.8889	2.095	285	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){4|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	121.0430	3.058	2	120.9763	3.103	46	120.9063	1.938	254	120.8889	2.095	285	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){4|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H){1|N<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	120.9995	3.225	2	120.9763	3.103	46	120.9063	1.938	254	120.8889	2.095	285	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){4|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.8700	2.260	2	120.9763	3.103	46	120.9063	1.938	254	120.8889	2.095	285	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){4|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	121.0790	1.192	2	120.9763	3.103	46	120.9063	1.938	254	120.8889	2.095	285	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){4|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|F<1>,2|C<3>,2|H<1>}	121.4305	1.354	2	120.9763	3.103	46	120.9063	1.938	254	120.8889	2.095	285	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){4|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	120.8585	1.638	2	120.9763	3.103	46	120.9063	1.938	254	120.8889	2.095	285	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){4|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|F<1>,2|C<3>,2|H<1>}	121.2350	3.353	2	120.9763	3.103	46	120.9063	1.938	254	120.8889	2.095	285	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){4|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.7845	0.527	2	120.9763	3.103	46	120.9063	1.938	254	120.8889	2.095	285	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]N)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]N)(H){1|C<4>,2|C<3>,3|H<1>}	121.5970	0.000	2	121.5970	0.000	2	120.9063	1.938	254	120.8889	2.095	285	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,2|C<3>,5|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	121.2755	2.367	2	120.8328	0.783	18	120.9063	1.938	254	120.8889	2.095	285	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,2|C<3>,5|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)(H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	121.0880	0.212	2	120.8328	0.783	18	120.9063	1.938	254	120.8889	2.095	285	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,2|C<3>,5|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)(H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.8695	1.408	2	120.8328	0.783	18	120.9063	1.938	254	120.8889	2.095	285	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,2|C<3>,5|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	120.8545	0.284	2	120.8328	0.783	18	120.9063	1.938	254	120.8889	2.095	285	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,2|C<3>,5|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)(H){1|N<3>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.4720	1.442	2	120.8328	0.783	18	120.9063	1.938	254	120.8889	2.095	285	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,2|C<3>,5|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)(H){2|H<1>,2|O<2>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	120.5650	1.438	2	120.8328	0.783	18	120.9063	1.938	254	120.8889	2.095	285	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){3|C<3>,5|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)(H){1|Br<1>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.8845	0.284	2	120.8328	0.783	18	120.9063	1.938	254	120.8889	2.095	285	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){3|C<3>,5|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)(H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|F<1>,2|C<3>,2|H<1>}	120.9615	0.095	2	120.8328	0.783	18	120.9063	1.938	254	120.8889	2.095	285	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){3|C<3>,5|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)(H){1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.5245	0.455	2	120.8328	0.783	18	120.9063	1.938	254	120.8889	2.095	285	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]N)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]N)(H){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.9440	2.048	2	120.9440	4.193	2	120.9063	1.938	254	120.8889	2.095	285	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<3>,1|N<2>,2|C<4>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]C)(H){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	121.1547	0.687	4	121.0559	0.629	19	120.9063	1.938	254	120.8889	2.095	285	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<3>,1|N<2>,2|C<4>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]C)(H){2|C<3>,2|O<2>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.9355	0.343	2	121.0559	0.629	19	120.9063	1.938	254	120.8889	2.095	285	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<3>,1|N<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]C)(H){1|O<1>,2|C<3>,2|O<2>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.8760	0.000	1	121.0559	0.629	19	120.9063	1.938	254	120.8889	2.095	285	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]C)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>,2|O<2>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	121.2680	0.954	4	121.0559	0.629	19	120.9063	1.938	254	120.8889	2.095	285	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]C)(H){1|C<4>,2|C<3>,2|H<1>,3|O<2>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	121.2355	0.479	4	121.0559	0.629	19	120.9063	1.938	254	120.8889	2.095	285	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|N<2>,3|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]C)(H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.2395	0.592	2	121.0559	0.629	19	120.9063	1.938	254	120.8889	2.095	285	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|N<2>,3|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]C)(H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	121.1015	2.065	2	121.0559	0.629	19	120.9063	1.938	254	120.8889	2.095	285	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<3>,1|N<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]C)(H){1|O<1>,2|C<3>,2|O<2>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.8960	0.000	1	120.8960	0.000	1	120.9063	1.938	254	120.8889	2.095	285	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]O)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]O)(H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.6245	0.310	2	120.6245	0.096	2	120.9063	1.938	254	120.8889	2.095	285	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<2>,1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(C[6]C[6]C)(H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.8425	1.705	4	120.8049	1.643	18	120.9063	1.938	254	120.8889	2.095	285	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(C[6]C[6]C)(H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	120.6997	0.994	6	120.8049	1.643	18	120.9063	1.938	254	120.8889	2.095	285	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(C[6]C[6]C)(H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.7698	1.578	6	120.8049	1.643	18	120.9063	1.938	254	120.8889	2.095	285	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(C[6]C[6]C)(H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	121.1510	1.223	2	120.8049	1.643	18	120.9063	1.938	254	120.8889	2.095	285	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(C[6]C[6]H)(H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.7465	0.555	2	120.7465	0.308	2	120.9063	1.938	254	120.8889	2.095	285	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]HO)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HO)(C[6]C[6]H)(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	121.2935	2.969	2	121.2935	8.816	2	120.9063	1.938	254	120.8889	2.095	285	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]HO)(C[6]C[6]O)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HO)(C[6]C[6]O)(H){1|C<4>,3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.8660	1.475	2	120.8660	2.176	2	120.9063	1.938	254	120.8889	2.095	285	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]HO)(C[6]N[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<3>,1|N<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HO)(C[6]N[6]C)(H){1|O<1>,2|C<3>,2|O<2>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|F<1>,2|C<3>,2|H<1>}	120.5670	0.133	2	120.5670	0.018	2	120.9063	1.938	254	120.8889	2.095	285	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]O[6]HH)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|O<2>,2|C<3>,5|H<1>}	C[6](C[6a]C[6a]2)(C[6]O[6]HH)(C[6]C[6]H)(H){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.9270	0.684	2	120.9472	0.406	4	120.9063	1.938	254	120.8889	2.095	285	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]O[6]HH)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|O<2>,2|C<3>,5|H<1>}	C[6](C[6a]C[6a]2)(C[6]O[6]HH)(C[6]C[6]H)(H){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.9675	0.865	2	120.9472	0.406	4	120.9063	1.938	254	120.8889	2.095	285	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]O[6]HH)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]N)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|O<2>,2|C<3>,2|N<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]O[6]HH)(C[6]C[6]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]N)(H){1|C<4>,2|C<3>,3|H<1>}	120.3455	1.234	2	120.3455	1.523	2	120.9063	1.938	254	120.8889	2.095	285	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:3:1:	3:3:2:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]O[6]O)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2H){1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]O[6]O)(H){1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|C<4>,2|C<3>,3|H<1>}	118.6730	0.000	1	118.6730	0.000	1	121.3308	1.714	9	121.3308	1.714	9	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:3:1:	3:3:2:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2H){4|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>,2|O<2>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|C<4>,2|C<3>,3|H<1>}	119.6590	0.000	1	119.6590	0.000	1	121.3308	1.714	9	121.3308	1.714	9	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:3:1:	3:3:2:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)(H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	121.7460	0.000	1	121.8805	0.036	2	121.3308	1.714	9	121.3308	1.714	9	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:3:1:	3:3:2:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|C<4>,2|C<3>,3|H<1>}	122.0150	0.000	1	121.8805	0.036	2	121.3308	1.714	9	121.3308	1.714	9	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:3:1:	3:3:2:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]HO)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HO)(C[6]C[6]H)(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|C<4>,2|C<3>,3|H<1>}	122.6970	0.000	1	122.6970	0.000	1	121.3308	1.714	9	121.3308	1.714	9	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:3:1:	3:3:2:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]O)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]O)2(C[6]C[6]2H){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)(H){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	121.7968	0.401	4	121.7968	0.160	4	121.3308	1.714	9	121.3308	1.714	9	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[6]C[6]2H){1|C<4>,3|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]C)(H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NOO){1|C<4>,2|C<3>,3|H<1>}	124.7170	0.000	1	124.7170	0.000	1	124.6615	0.006	2	124.6615	0.006	2	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[6]C[6]2H){4|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>,2|N<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NOO){1|C<4>,2|C<3>,3|H<1>}	124.6060	0.000	1	124.6060	0.000	1	124.6615	0.006	2	124.6615	0.006	2	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:3:1:	3:3:4:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[6]C[6]2H){1|N<3>,2|C<3>,5|H<1>}	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(C[6]C[6]H)(H){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CCHH){1|C<4>,2|C<3>,3|H<1>}	124.9330	0.419	2	124.9330	0.175	2	124.9330	0.175	2	124.9330	0.175	2	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:3:2:	3:3:1:	C[5,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(C[6]C[6]2N)	C[6](C[6a]C[5,6a]C[6a])(C[6]C[6]CC)(C[6]C[6]O)(NC)	C[6a](C[6a]C[5,6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(C[6]C[6]2N){1|H<1>,1|N<3>,1|O<1>,1|O<2>,3|C<4>,4|C<3>}	C[6](C[6a]C[5,6a]C[6a])(C[6]C[6]CC)(C[6]C[6]O)(NC){1|Cl<1>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[5,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	115.6560	0.000	1	115.6560	0.000	1	115.6560	0.000	1	120.6204	3.150	33	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:3:2:	3:3:1:	C[5a,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(C[6]C[6]2C)	C[6](C[6a]C[5a,6a]C[6a])(C[6]C[6]CH)(C[6]C[6]O)(CN)	C[6a](C[6a]C[5a,6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(C[6]C[6]2C){1|N<3>,1|O<1>,2|H<1>,3|C<3>,3|C<4>}	C[6](C[6a]C[5a,6a]C[6a])(C[6]C[6]CH)(C[6]C[6]O)(CN){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[5a,6a]C[6])(C[6a]C[6a]H)(H){1|C<2>,1|C<4>,1|H<1>,3|C<3>}	117.8775	1.548	2	117.8775	2.396	2	117.8775	2.396	2	120.6204	3.150	33	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:3:2:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(CN)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C){4|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(CN){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<2>,1|C<4>,2|C<3>,2|H<1>}	120.1465	2.613	2	120.1465	6.827	2	120.6005	3.212	4	120.6204	3.150	33	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:3:2:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)(CC)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)(CC){1|C<4>,2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<2>,1|C<4>,1|H<1>,1|O<2>,2|C<3>}	121.0545	1.409	2	121.0545	1.986	2	120.6005	3.212	4	120.6204	3.150	33	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:3:2:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-3:O-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2O)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)(OH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2O){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)(OH){1|Cl<1>,1|C<4>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	124.2250	0.300	2	124.2250	0.090	2	124.2250	0.090	2	120.6204	3.150	33	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:3:2:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2O)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)(OH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2O){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)(OH){1|Cl<1>,1|C<4>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,1|H<1>,1|O<2>,2|C<3>}	120.0610	0.208	2	120.0610	0.043	2	120.7588	0.980	24	120.6204	3.150	33	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:3:2:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O)	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]H)(OC)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O){1|C<4>,2|C<2>,2|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]H)(OC){1|C<4>,2|C<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.4220	0.871	2	120.4220	0.759	2	120.7588	0.980	24	120.6204	3.150	33	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:3:2:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)(OH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)(OH){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.9610	1.096	2	120.8910	0.977	6	120.7588	0.980	24	120.6204	3.150	33	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:3:2:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)(OH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)(OH){2|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.8560	1.106	4	120.8910	0.977	6	120.7588	0.980	24	120.6204	3.150	33	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:3:2:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O)	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(C[6]C[6]C)(OC)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O){1|N<3>,3|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(C[6]C[6]C)(OC){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.8225	1.756	2	120.8225	3.083	2	120.7588	0.980	24	120.6204	3.150	33	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:3:2:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O)	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(C[6]C[6]C)(OH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O){1|N<3>,3|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(C[6]C[6]C)(OH){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	121.1300	1.342	2	120.8544	1.122	12	120.7588	0.980	24	120.6204	3.150	33	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:3:2:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O)	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(C[6]C[6]C)(OH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O){1|N<3>,3|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(C[6]C[6]C)(OH){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.7993	1.073	10	120.8544	1.122	12	120.7588	0.980	24	120.6204	3.150	33	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-3:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(C[6]C[6]2C)	C[6](C[6a]C[5a,6a]C[6a])(C[6]C[6]CC)(C[6]C[6]O)(COO)	C[6a](C[6a]C[5a,6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(C[6]C[6]2C){1|H<1>,1|N<3>,1|O<1>,3|C<4>,4|C<3>}	C[6](C[6a]C[5a,6a]C[6a])(C[6]C[6]CC)(C[6]C[6]O)(COO){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[5a,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,4|C<3>}	117.6670	0.000	1	117.6670	0.000	1	117.2370	0.370	2	121.3354	3.451	38	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-3:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(C[6]C[6]2C)	C[6](C[6a]C[5a,6a]C[6a])(C[6]C[6]HH)(C[6]C[6]O)(COO)	C[6a](C[6a]C[5a,6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(C[6]C[6]2C){1|N<3>,1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[6](C[6a]C[5a,6a]C[6a])(C[6]C[6]HH)(C[6]C[6]O)(COO){2|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[5a,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,4|C<3>}	116.8070	0.000	1	116.8070	0.000	1	117.2370	0.370	2	121.3354	3.451	38	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C-4:C[6]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C)	C[6](C[6a]C[6a]2)(CC[6a]ClH)(C[6]C[6]O)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	C[6](C[6a]C[6a]2)(CC[6a]ClH)(C[6]C[6]O)2{1|C<4>,2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	120.8375	0.675	2	120.8375	0.456	2	120.8375	0.456	2	121.3354	3.451	38	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-3:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]O)(COO)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C){1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]O)(COO){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	121.0485	1.087	2	121.0485	1.181	2	120.9368	0.960	4	121.3354	3.451	38	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-3:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C)	C[6](C[6a]C[6a]2)(C[6]C[6]HO)(C[6]C[6]H)(CCH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HO)(C[6]C[6]H)(CCH){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	120.8250	1.284	2	120.8250	1.649	2	120.9368	0.960	4	121.3354	3.451	38	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-3:N-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2N)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)(NCH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2N){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)(NCH){1|Cl<1>,1|C<4>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	123.9800	0.112	2	123.9800	0.012	2	123.4230	0.858	12	121.3354	3.451	38	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-3:N-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2N)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)(NHH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2N){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)(NHH){1|Cl<1>,1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	123.5090	1.214	6	123.3116	0.965	10	123.4230	0.858	12	121.3354	3.451	38	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-3:N-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2N)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)(NHH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2N){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)(NHH){1|Cl<1>,1|C<4>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	123.0155	0.494	4	123.3116	0.965	10	123.4230	0.858	12	121.3354	3.451	38	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2N)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)(NCH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2N){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)(NCH){1|Cl<1>,1|C<4>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,1|H<1>,1|N<3>,2|C<3>}	119.2745	0.105	2	119.2745	0.011	2	120.5430	0.954	18	121.3354	3.451	38	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2N)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)(NHH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2N){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)(NHH){1|Cl<1>,1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,1|H<1>,1|N<3>,2|C<3>}	120.5498	0.899	6	120.7387	0.546	10	120.5430	0.954	18	121.3354	3.451	38	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2N)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)(NHH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2N){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)(NHH){1|Cl<1>,1|C<4>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,1|H<1>,1|N<3>,2|C<3>}	121.0220	0.335	4	120.7387	0.546	10	120.5430	0.954	18	121.3354	3.451	38	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2N)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)(NHS)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2N){1|C<4>,2|C<3>,5|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)(NHS){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	120.6990	2.403	2	120.6990	5.773	2	120.5430	0.954	18	121.3354	3.451	38	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2N)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)(NOO)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2N){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)(NOO){1|C<4>,2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	120.5300	0.556	2	120.6100	0.616	4	120.5430	0.954	18	121.3354	3.451	38	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2N)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)(NOO)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2N){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)(NOO){1|C<4>,2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	120.6900	1.230	2	120.6100	0.616	4	120.5430	0.954	18	121.3354	3.451	38	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:3:4:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[6]C[6]2C)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)(CHHN)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[6]C[6]2C){1|C<4>,2|C<3>,5|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)(CHHN){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,3|C<4>}	115.8230	0.000	1	115.8230	0.000	1	120.7809	4.522	33	121.0155	3.863	56	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:3:4:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(C[6]C[6]2C)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(C[6]C[6]2C){1|C<3>,1|O<1>,2|C<4>,2|H<1>,2|O<2>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)(CH3){1|C<4>,2|C<3>,2|I<1>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H){1|I<1>,2|C<3>,3|C<4>}	117.9030	0.000	1	117.9030	0.000	1	120.7809	4.522	33	121.0155	3.863	56	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:3:4:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2C)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2C){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)(CH3){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	123.3590	0.000	1	123.3590	0.000	1	120.7809	4.522	33	121.0155	3.863	56	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:3:4:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C)	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]H)(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C){2|C<2>,3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]H)(CH3){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	120.7190	0.231	2	120.7190	0.053	2	120.7809	4.522	33	121.0155	3.863	56	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:3:4:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)(CCHH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C){4|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)(CCHH){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	121.6615	1.754	2	121.6615	3.078	2	120.7809	4.522	33	121.0155	3.863	56	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:3:4:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)(CH3){3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,2|C<3>,2|C<4>}	121.2125	3.225	2	121.2125	10.401	2	120.7809	4.522	33	121.0155	3.863	56	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:3:4:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]Br)(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C){1|Br<1>,1|C<4>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]Br)(CH3){1|Br<1>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	121.1300	1.959	2	121.1300	3.836	2	120.7809	4.522	33	121.0155	3.863	56	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:3:4:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]N)(CHHI)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C){1|C<3>,1|N<2>,2|C<4>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]N)(CHHI){1|C<4>,2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	121.4610	3.534	2	121.4610	12.490	2	120.7809	4.522	33	121.0155	3.863	56	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:3:4:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)(CCHH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)(CCHH){1|C<4>,2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	121.2070	1.618	2	121.2070	2.617	2	120.7809	4.522	33	121.0155	3.863	56	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:3:4:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]O)(CCHH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]O)(CCHH){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	119.9825	3.021	2	120.3678	3.249	4	120.7809	4.522	33	121.0155	3.863	56	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:3:4:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]O)(CCHH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]O)(CCHH){3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|B<3>,1|H<1>,2|C<3>,2|C<4>}	120.7530	0.154	2	120.3678	3.249	4	120.7809	4.522	33	121.0155	3.863	56	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:3:4:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]O)(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C){1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]O)(CH3){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,3|C<4>}	120.9547	1.795	4	120.9547	3.223	4	120.7809	4.522	33	121.0155	3.863	56	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:3:4:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]S)(CCHH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C){1|C<3>,1|C<4>,1|N<3>,1|S<2>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]S)(CCHH){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	120.7922	3.071	4	120.7922	9.431	4	120.7809	4.522	33	121.0155	3.863	56	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:3:4:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C)	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(C[6]C[6]H)(CC[6a]HH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C){1|N<3>,2|C<3>,5|H<1>}	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(C[6]C[6]H)(CC[6a]HH){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	120.9890	1.748	4	120.9890	3.056	4	120.7809	4.522	33	121.0155	3.863	56	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:3:4:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C)	C[6](C[6a]C[6a]2)(C[6]S[6]HS)(C[6]O[6]O)(CCHH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C){1|C<3>,1|O<1>,1|O<2>,2|S<2>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]S[6]HS)(C[6]O[6]O)(CCHH){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	120.7445	3.376	2	120.7445	11.400	2	120.7809	4.522	33	121.0155	3.863	56	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:3:4:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-3:C-4:	C[6a]-3:C[6a]-3:I-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(C[6]C[6]2C)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(I)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(C[6]C[6]2C){1|C<3>,1|O<1>,2|C<4>,2|H<1>,2|O<2>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)(CH3){1|C<4>,2|C<3>,2|I<1>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(I){1|H<1>,2|C<3>,3|C<4>}	124.9940	0.000	1	124.9940	0.000	1	124.9940	0.000	1	121.0155	3.863	56	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:3:4:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-3:N-4:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2N)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)(NCHH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2N){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)(NCHH){1|Cl<1>,1|C<4>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl){1|C<4>,1|N<4>,2|C<3>,2|H<1>}	123.7345	0.035	2	123.7345	0.001	2	123.0728	0.269	6	121.0155	3.863	56	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:3:4:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-3:N-4:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2N)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)(NH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2N){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)(NH3){1|Cl<1>,1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl){1|C<4>,1|N<4>,2|C<3>,2|H<1>}	122.7420	0.098	4	122.7420	0.010	4	123.0728	0.269	6	121.0155	3.863	56	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:3:4:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-3:N-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2N)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)(NCHH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2N){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)(NCHH){1|Cl<1>,1|C<4>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,1|H<1>,1|N<4>,2|C<3>}	119.6015	0.400	2	119.6015	0.160	2	120.4791	1.253	16	121.0155	3.863	56	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:3:4:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-3:N-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2N)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)(NH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2N){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)(NH3){1|Cl<1>,1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,1|H<1>,1|N<4>,2|C<3>}	120.6647	0.124	4	120.6647	0.015	4	120.4791	1.253	16	121.0155	3.863	56	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:3:4:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-3:N-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2N)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)(NCHH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2N){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)(NCHH){1|C<4>,2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|N<4>,2|C<3>,2|H<1>}	120.5803	1.367	10	120.5803	1.868	10	120.4791	1.253	16	121.0155	3.863	56	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:3:4:	3:3:2:	C[6a,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-3:C-4:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(C[6]C[6]2C)	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)(C[6]O[6]O)(CCHH)	C[6a](C[6a]C[6a,6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(C[6]C[6]2C){1|C<4>,1|O<1>,1|O<2>,3|C<3>,4|H<1>}	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)(C[6]O[6]O)(CCHH){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]C[6])(C[6a]C[6a]H)(OC){1|H<1>,2|C<4>,3|C<3>}	116.8720	0.000	1	116.8720	0.000	1	116.8720	0.000	1	117.9640	2.385	2	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:3:4:	3:3:2:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-3:C-4:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2C)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2C){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)(CH3){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){2|C<3>,2|C<4>,2|H<1>}	119.0560	0.000	1	119.0560	0.000	1	119.0560	0.000	1	117.9640	2.385	2	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:3:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[6]C[6]2C)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)(CHHN)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[6]C[6]2C){1|C<4>,2|C<3>,5|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)(CHHN){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CCHH){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	127.3770	0.000	1	127.3770	0.000	1	127.3770	0.000	1	127.3770	0.000	1	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]2H)	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6,6a]HH)(C[6]C[6]CO)(H)	C[6a](C[6a]C[6a,6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]2H){1|O<2>,4|H<1>,6|C<3>}	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6,6a]HH)(C[6]C[6]CO)(H){1|H<1>,1|O<1>,5|C<3>}	C[6a](C[6a]C[6a,6a]C[6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	120.9850	0.000	1	120.9850	0.000	1	120.9040	2.301	4	121.0140	2.807	686	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]2H)	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6,6a]HH)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a,6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]2H){1|C<4>,4|C<3>,6|H<1>}	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6,6a]HH)(C[6]C[6]HH)(H){3|H<1>,5|C<3>}	C[6a](C[6a]C[6a,6a]C[6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	120.8040	0.000	1	120.8040	0.000	1	120.9040	2.301	4	121.0140	2.807	686	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]2H)	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)(C[6]C[6]HO)(H)	C[6a](C[6a]C[6a,6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]2H){1|O<2>,2|C<4>,3|C<3>,5|H<1>}	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)(C[6]C[6]HO)(H){1|C<4>,3|C<3>,5|H<1>}	C[6a](C[6a]C[6a,6a]C[6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	119.0580	0.000	1	119.0580	0.000	1	120.9040	2.301	4	121.0140	2.807	686	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(C[6]C[6]2H)	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)2(H)	C[6a](C[6a]C[6a,6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(C[6]C[6]2H){2|C<4>,3|C<3>,5|H<1>}	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)2(H){1|N<2>,1|N<3>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	122.7690	0.000	1	122.7690	0.000	1	120.9040	2.301	4	121.0140	2.807	686	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[6])(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(C[6]C[6]2H){1|O<2>,4|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[6])(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	118.3150	0.000	1	118.3150	0.000	1	118.6900	0.281	2	121.0140	2.807	686	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HN)(H)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[6])(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(C[6]C[6]2H){1|C<4>,1|N<3>,2|C<3>,2|O<2>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HN)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[6])(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	119.0650	0.000	1	119.0650	0.000	1	118.6900	0.281	2	121.0140	2.807	686	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C[6])(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(C[6]C[6]2H){2|C<3>,2|C<4>,5|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|C<4>,2|C<3>,6|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C[6])(H){1|O<2>,1|S<2>,2|C<3>,2|C<4>,2|H<1>}	119.6515	0.688	2	120.7025	0.705	26	120.7025	0.705	26	121.0140	2.807	686	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C[6])(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(C[6]C[6]2H){2|C<3>,2|C<4>,5|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|C<4>,2|C<3>,6|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C[6])(H){1|O<2>,1|S<3>,2|C<3>,2|C<4>,2|H<1>}	120.5431	0.633	14	120.7025	0.705	26	120.7025	0.705	26	121.0140	2.807	686	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C[6])(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(C[6]C[6]2H){2|C<3>,2|C<4>,5|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|C<4>,2|C<3>,6|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C[6])(H){1|O<2>,1|S<4>,2|C<3>,2|C<4>,2|H<1>}	121.1359	0.913	10	120.7025	0.705	26	120.7025	0.705	26	121.0140	2.807	686	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(C[6]C[6]2H){4|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])(H){2|C<4>,3|C<3>,3|H<1>}	121.3650	0.000	1	121.3650	0.000	1	121.6559	1.645	7	121.0140	2.807	686	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HO)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(C[6]C[6]2H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HO)(H){1|C<4>,2|C<3>,6|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])(H){2|C<4>,3|C<3>,3|H<1>}	121.8145	2.624	2	121.8145	6.886	2	121.6559	1.645	7	121.0140	2.807	686	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(C[6]C[6]2H){2|C<3>,2|C<4>,5|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|C<4>,2|C<3>,6|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])(H){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	121.6492	0.974	4	121.6492	0.949	4	121.6559	1.645	7	121.0140	2.807	686	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:Br-1:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]HN)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(C[6]C[6]2H){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]HN)(H){1|Br<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Br){1|C<3>,2|C<4>,3|H<1>}	121.4880	0.000	1	121.4730	0.000	2	122.0558	0.471	4	121.0140	2.807	686	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:Br-1:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]HN)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(C[6]C[6]2H){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]HN)(H){1|Br<1>,2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Br){1|C<3>,2|C<4>,3|H<1>}	121.4580	0.000	1	121.4730	0.000	2	122.0558	0.471	4	121.0140	2.807	686	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:Br-1:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	C[6a](C[6a]C[6a]C[6])2(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(C[6]C[6]2H){1|C<3>,4|C<4>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|Br<1>,1|C<4>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])2(Br){1|C<3>,4|C<4>,4|H<1>}	122.6385	0.231	2	122.6385	0.053	2	122.0558	0.471	4	121.0140	2.807	686	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Cl)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2H){2|Cl<1>,3|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|Cl<1>,1|H<1>,1|O<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Cl)(Cl){1|C<3>,2|C<4>,3|H<1>}	120.2840	0.000	1	120.2840	0.000	1	122.5417	2.505	7	121.0140	2.807	686	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2H){4|C<3>,5|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|Cl<1>,1|H<1>,1|O<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl){1|C<3>,2|C<4>,3|H<1>}	122.8130	0.000	1	122.8130	0.000	1	122.5417	2.505	7	121.0140	2.807	686	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HN)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HN)(H){1|Cl<1>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl){1|C<3>,2|C<4>,3|H<1>}	121.0800	0.000	1	121.0800	0.000	1	122.5417	2.505	7	121.0140	2.807	686	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)2(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2H){2|C<4>,3|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)2(H){1|Cl<1>,1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl){1|C<3>,2|C<4>,3|H<1>}	122.5770	0.663	2	122.8323	0.416	3	122.5417	2.505	7	121.0140	2.807	686	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)2(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2H){2|C<4>,3|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)2(H){1|Cl<1>,2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl){1|C<3>,2|C<4>,3|H<1>}	123.3430	0.000	1	122.8323	0.416	3	122.5417	2.505	7	121.0140	2.807	686	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HN)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HN)(H){1|Cl<1>,1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	125.1180	0.000	1	125.1180	0.000	1	122.5417	2.505	7	121.0140	2.807	686	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]N[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(F)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(C[6]C[6]2H){1|C<4>,1|N<4>,2|C<3>,5|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]N[6]HH)(H){1|F<1>,2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(F){1|C<3>,1|F<1>,2|C<4>,2|H<1>}	121.0060	0.000	1	121.0060	0.000	1	121.0060	0.000	1	121.0140	2.807	686	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[5,6a]H)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(C[6]C[6]2H){1|O<2>,4|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[5,6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	121.7030	0.000	1	121.7030	0.000	1	120.9073	2.487	622	121.0140	2.807	686	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HN)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[5,6a]O)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(C[6]C[6]2H){1|C<4>,1|N<3>,2|C<3>,2|O<2>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HN)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[5,6a]O)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	120.0680	0.000	1	120.0680	0.000	1	120.9073	2.487	622	121.0140	2.807	686	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]C[6])(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(C[6]C[6]2H){2|C<3>,2|C<4>,5|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|C<4>,2|C<3>,6|H<1>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]C[6])(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	119.9560	0.892	26	119.9560	0.796	26	120.9073	2.487	622	121.0140	2.807	686	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(C[6]C[6]2H){2|C<4>,4|C<3>,5|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<4>,3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	122.3795	0.235	2	122.3795	0.055	2	120.9073	2.487	622	121.0140	2.807	686	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]OO)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(C[6]C[6]2H){1|N<3>,2|C<4>,2|O<2>,3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]OO)(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H){2|C<3>,2|C<4>,2|H<1>}	113.5410	0.000	1	113.5410	0.000	1	120.9073	2.487	622	121.0140	2.807	686	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C[6])(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(C[6]C[6]2H){4|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C[6])(H){2|C<3>,2|C<4>,2|H<1>}	119.8400	0.000	1	119.8400	0.000	1	120.9073	2.487	622	121.0140	2.807	686	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HO)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C[6])(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(C[6]C[6]2H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HO)(H){1|C<4>,2|C<3>,6|H<1>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C[6])(H){2|C<3>,2|C<4>,2|H<1>}	121.0850	2.342	2	121.0850	5.485	2	120.9073	2.487	622	121.0140	2.807	686	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C[6])(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(C[6]C[6]2H){2|C<3>,2|C<4>,5|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|C<4>,2|C<3>,6|H<1>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C[6])(H){2|C<3>,2|C<4>,2|H<1>}	119.8882	1.111	4	119.8882	1.234	4	120.9073	2.487	622	121.0140	2.807	686	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]N[5])(C[6a]C[6a]H)(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C[6])(H)	C[6a](C[6a]C[6a,6a]N[5])(C[6a]C[6a]H)(C[6]C[6]2H){3|C<3>,3|C<4>,5|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C[6])(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	119.2047	0.683	6	119.2047	0.467	6	120.9073	2.487	622	121.0140	2.807	686	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C[6])(H)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(C[6]C[6]2H){1|C<4>,3|C<3>,5|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C[6])(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	122.4400	0.000	1	122.4400	0.000	1	120.9073	2.487	622	121.0140	2.807	686	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	C[6a](C[6a]C[6a]C[6])2(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6]C[6]2H){3|C<3>,4|C<4>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|C<4>,3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])2(H){2|C<3>,3|H<1>,4|C<4>}	119.4150	0.171	2	119.4150	0.029	2	120.9073	2.487	622	121.0140	2.807	686	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]HN)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(C[6]C[6]2H){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]HN)(H){1|Br<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	122.0660	0.000	1	122.0365	0.002	2	120.9073	2.487	622	121.0140	2.807	686	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]HN)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(C[6]C[6]2H){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]HN)(H){1|Br<1>,2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	122.0070	0.000	1	122.0365	0.002	2	120.9073	2.487	622	121.0140	2.807	686	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	C[6a](C[6a]C[6a]C[6])2(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(C[6]C[6]2H){1|C<3>,4|C<4>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|Br<1>,1|C<4>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])2(H){1|Br<1>,1|C<3>,3|H<1>,4|C<4>}	120.8390	0.291	2	120.8390	0.085	2	120.9073	2.487	622	121.0140	2.807	686	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]OO)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[6]C[6]2H){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]OO)(H){1|C<4>,1|N<3>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	116.6050	0.000	1	116.6050	0.000	1	120.9073	2.487	622	121.0140	2.807	686	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	C[6a](C[6a]C[6a]C[6])2(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2H){1|C<3>,5|C<4>,6|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){2|C<3>,2|C<4>,5|H<1>}	C[6a](C[6a]C[6a]C[6])2(H){1|C<3>,2|H<1>,6|C<4>}	119.2210	1.119	4	119.2210	1.252	4	120.9073	2.487	622	121.0140	2.807	686	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Cl)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2H){2|Cl<1>,3|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|Cl<1>,1|H<1>,1|O<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Cl)(H){1|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	121.8080	0.000	1	121.8080	0.000	1	120.9073	2.487	622	121.0140	2.807	686	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2H){4|C<3>,5|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|Cl<1>,1|H<1>,1|O<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	120.4880	0.000	1	120.4880	0.000	1	120.9073	2.487	622	121.0140	2.807	686	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HN)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HN)(H){1|Cl<1>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	121.8510	0.000	1	121.8510	0.000	1	120.9073	2.487	622	121.0140	2.807	686	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)2(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2H){2|C<4>,3|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)2(H){1|Cl<1>,1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	121.0745	0.107	2	120.5657	0.782	3	120.9073	2.487	622	121.0140	2.807	686	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)2(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2H){2|C<4>,3|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)2(H){1|Cl<1>,2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	119.5480	0.000	1	120.5657	0.782	3	120.9073	2.487	622	121.0140	2.807	686	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HN)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HN)(H){1|Cl<1>,1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|Cl<1>,1|C<3>,1|H<1>,2|C<4>}	118.1360	0.000	1	118.1360	0.000	1	120.9073	2.487	622	121.0140	2.807	686	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]N[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(C[6]C[6]2H){1|C<4>,1|N<4>,2|C<3>,5|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]N[6]HH)(H){1|F<1>,2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>,2|F<1>}	118.3020	0.000	1	118.3020	0.000	1	120.9073	2.487	622	121.0140	2.807	686	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]S[6]CH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[6]C[6]2H){1|C<4>,1|S<2>,2|C<3>,5|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]S[6]CH)(H){1|Br<1>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	120.3780	0.000	1	120.3780	0.000	1	120.9073	2.487	622	121.0140	2.807	686	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[6]C[6]2H){1|C<3>,3|C<4>,5|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	120.0932	0.412	5	120.0932	0.169	5	120.9073	2.487	622	121.0140	2.807	686	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	C[6a](C[6a]C[6a]C[6])2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[6]C[6]2H){1|C<3>,4|C<4>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])2(H){1|C<3>,1|N<3>,3|H<1>,4|C<4>}	118.4207	0.656	4	118.4207	0.430	4	120.9073	2.487	622	121.0140	2.807	686	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2H){2|C<3>,2|C<4>,5|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<4>,2|H<1>,2|O<2>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	117.9650	0.000	1	117.9650	0.000	1	120.9073	2.487	622	121.0140	2.807	686	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H){2|O<2>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	119.9680	0.000	1	119.9680	0.000	1	120.9073	2.487	622	121.0140	2.807	686	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)2(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2H){2|C<4>,3|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)2(H){1|C<4>,2|H<1>,2|O<2>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	119.0220	0.000	1	119.0220	0.000	1	120.9073	2.487	622	121.0140	2.807	686	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)2(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2H){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)2(H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	124.0920	0.000	1	124.0920	0.000	1	120.9073	2.487	622	121.0140	2.807	686	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HN)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HN)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	119.8145	3.406	2	119.8145	11.602	2	120.9073	2.487	622	121.0140	2.807	686	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HO)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HO)(H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	123.1010	0.164	2	123.1010	0.027	2	120.9073	2.487	622	121.0140	2.807	686	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2H){1|C<3>,3|C<4>,5|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	123.0847	0.497	3	123.0847	0.247	3	120.9073	2.487	622	121.0140	2.807	686	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){2|O<2>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	122.1860	0.000	1	122.1860	0.000	1	120.9073	2.487	622	121.0140	2.807	686	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]2H)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){2|C<3>,2|C<4>,5|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]2H)(C[6]C[6]HH)(H){1|Br<1>,3|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.3440	1.150	2	120.3440	1.322	2	120.9073	2.487	622	121.0140	2.807	686	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]CH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<2>,2|C<4>,3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]CH)(H){1|C<4>,3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.7555	2.549	2	120.7508	3.085	10	120.9073	2.487	622	121.0140	2.807	686	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]CH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,2|C<2>,3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]CH)(H){1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.8015	2.319	2	120.7508	3.085	10	120.9073	2.487	622	121.0140	2.807	686	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]CH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){2|C<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]CH)(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.7323	1.782	6	120.7508	3.085	10	120.9073	2.487	622	121.0140	2.807	686	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]CO)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<2>,1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]CO)(H){1|C<4>,2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.0510	3.096	4	121.0510	9.588	4	120.9073	2.487	622	121.0140	2.807	686	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<2>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<4>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.9060	1.345	2	121.0398	3.318	30	120.9073	2.487	622	121.0140	2.807	686	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<2>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]HH)(H){2|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.2180	1.568	4	121.0398	3.318	30	120.9073	2.487	622	121.0140	2.807	686	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<3>,2|C<2>,2|C<4>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.8413	1.660	6	121.0398	3.318	30	120.9073	2.487	622	121.0140	2.807	686	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,2|C<2>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]HH)(H){3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.8050	3.900	2	121.0398	3.318	30	120.9073	2.487	622	121.0140	2.807	686	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,2|C<2>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]HH)(H){4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	120.4995	1.654	2	121.0398	3.318	30	120.9073	2.487	622	121.0140	2.807	686	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,2|C<2>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]HH)(H){4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.5870	3.127	2	121.0398	3.318	30	120.9073	2.487	622	121.0140	2.807	686	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,4|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	121.5125	2.017	2	121.0398	3.318	30	120.9073	2.487	622	121.0140	2.807	686	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,4|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.0692	1.417	4	121.0398	3.318	30	120.9073	2.487	622	121.0140	2.807	686	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,4|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	121.4930	5.346	2	121.0398	3.318	30	120.9073	2.487	622	121.0140	2.807	686	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){2|C<4>,3|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<4>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	121.3480	1.169	4	121.0398	3.318	30	120.9073	2.487	622	121.0140	2.807	686	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]HN)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<3>,1|N<3>,2|C<2>,2|C<4>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]HN)(H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.1393	2.456	3	120.9021	6.440	7	120.9073	2.487	622	121.0140	2.807	686	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]HN)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,1|N<3>,2|C<2>,2|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]HN)(H){1|N<3>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.7242	2.960	4	120.9021	6.440	7	120.9073	2.487	622	121.0140	2.807	686	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]CC)2(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){2|C<2>,2|C<4>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CC)2(H){1|C<4>,3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.8095	3.965	2	120.8555	9.672	4	120.9073	2.487	622	121.0140	2.807	686	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]CC)2(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){2|C<2>,2|C<4>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CC)2(H){1|C<4>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.9015	3.645	2	120.8555	9.672	4	120.9073	2.487	622	121.0140	2.807	686	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]CF)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,1|F<1>,3|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CF)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	122.4885	2.463	2	121.8190	3.366	4	120.9073	2.487	622	121.0140	2.807	686	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]CF)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|F<1>,4|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CF)(C[6]C[6]HH)(H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.1495	1.497	2	121.8190	3.366	4	120.9073	2.487	622	121.0140	2.807	686	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]CF)(C[6]C[6]HN)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,1|F<1>,1|N<3>,3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CF)(C[6]C[6]HN)(H){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.2660	1.879	2	120.2660	3.532	2	120.9073	2.487	622	121.0140	2.807	686	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]CF)2(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){2|F<1>,2|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CF)2(H){2|H<1>,2|O<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.6010	2.062	2	120.6010	4.252	2	120.9073	2.487	622	121.0140	2.807	686	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<3>,3|C<4>,5|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,2|O<2>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	121.1435	2.744	2	121.0394	1.920	95	120.9073	2.487	622	121.0140	2.807	686	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<3>,3|C<4>,5|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|N<3>,2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|F<1>,2|C<4>,2|H<1>}	121.2370	0.038	2	121.0394	1.920	95	120.9073	2.487	622	121.0140	2.807	686	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<3>,3|C<4>,5|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|N<3>,2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.8942	0.477	4	121.0394	1.920	95	120.9073	2.487	622	121.0140	2.807	686	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<3>,3|C<4>,5|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|N<4>,2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|F<1>,2|C<4>,2|H<1>}	120.8350	0.915	22	121.0394	1.920	95	120.9073	2.487	622	121.0140	2.807	686	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<3>,3|C<4>,5|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	121.4365	1.080	2	121.0394	1.920	95	120.9073	2.487	622	121.0140	2.807	686	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	122.0270	0.000	1	121.0394	1.920	95	120.9073	2.487	622	121.0140	2.807	686	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,3|C<3>,5|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	120.8100	2.116	2	121.0394	1.920	95	120.9073	2.487	622	121.0140	2.807	686	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,3|C<3>,5|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.3417	2.291	4	121.0394	1.920	95	120.9073	2.487	622	121.0140	2.807	686	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,3|C<3>,5|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.9685	1.013	4	121.0394	1.920	95	120.9073	2.487	622	121.0140	2.807	686	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,3|C<3>,5|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|F<1>,2|C<4>,2|H<1>}	121.4680	1.360	2	121.0394	1.920	95	120.9073	2.487	622	121.0140	2.807	686	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,3|C<3>,5|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	121.6640	1.926	2	121.0394	1.920	95	120.9073	2.487	622	121.0140	2.807	686	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){2|C<3>,2|C<4>,5|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.6560	0.075	2	121.0394	1.920	95	120.9073	2.487	622	121.0140	2.807	686	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){2|C<3>,2|C<4>,5|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	121.1220	2.855	2	121.0394	1.920	95	120.9073	2.487	622	121.0140	2.807	686	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){2|C<3>,2|C<4>,5|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,2|C<4>,2|H<1>}	120.7675	3.355	2	121.0394	1.920	95	120.9073	2.487	622	121.0140	2.807	686	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){2|C<3>,2|C<4>,5|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|F<1>,2|C<4>,2|H<1>}	121.0130	3.664	2	121.0394	1.920	95	120.9073	2.487	622	121.0140	2.807	686	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){2|C<3>,2|C<4>,5|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	121.3425	3.017	2	121.0394	1.920	95	120.9073	2.487	622	121.0140	2.807	686	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){2|C<3>,2|C<4>,5|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.7998	0.960	4	121.0394	1.920	95	120.9073	2.487	622	121.0140	2.807	686	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){2|C<3>,2|C<4>,5|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	121.0395	2.730	2	121.0394	1.920	95	120.9073	2.487	622	121.0140	2.807	686	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){2|C<3>,2|C<4>,5|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|N<3>,2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	121.2825	2.575	2	121.0394	1.920	95	120.9073	2.487	622	121.0140	2.807	686	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){2|C<3>,2|C<4>,5|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.9455	0.511	2	121.0394	1.920	95	120.9073	2.487	622	121.0140	2.807	686	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){2|C<3>,2|C<4>,5|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H){2|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.1765	0.617	2	121.0394	1.920	95	120.9073	2.487	622	121.0140	2.807	686	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){4|C<3>,5|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	121.1085	1.766	2	121.0394	1.920	95	120.9073	2.487	622	121.0140	2.807	686	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){4|C<3>,5|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|O<1>,1|S<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.0795	3.248	2	121.0394	1.920	95	120.9073	2.487	622	121.0140	2.807	686	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){4|C<3>,5|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|F<1>,2|C<4>,2|H<1>}	121.2190	1.968	6	121.0394	1.920	95	120.9073	2.487	622	121.0140	2.807	686	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){4|C<3>,5|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	121.1635	1.073	8	121.0394	1.920	95	120.9073	2.487	622	121.0140	2.807	686	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){4|C<3>,5|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.0803	1.382	4	121.0394	1.920	95	120.9073	2.487	622	121.0140	2.807	686	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){4|C<3>,5|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	120.7018	2.044	4	121.0394	1.920	95	120.9073	2.487	622	121.0140	2.807	686	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,2|C<4>,3|H<1>}	118.8180	0.000	1	118.8180	0.000	1	120.9073	2.487	622	121.0140	2.807	686	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HN)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<3>,1|N<3>,3|C<4>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HN)(H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	121.5295	1.244	2	120.7812	2.691	16	120.9073	2.487	622	121.0140	2.807	686	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HN)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HN)(H){1|N<3>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	120.6160	3.117	2	120.7812	2.691	16	120.9073	2.487	622	121.0140	2.807	686	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HN)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HN)(H){1|N<3>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.7848	0.527	4	120.7812	2.691	16	120.9073	2.487	622	121.0140	2.807	686	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HN)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HN)(H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	121.1810	1.690	2	120.7812	2.691	16	120.9073	2.487	622	121.0140	2.807	686	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HN)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HN)(H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.4512	2.157	6	120.7812	2.691	16	120.9073	2.487	622	121.0140	2.807	686	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HO)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HO)(H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.0800	2.670	2	121.0800	7.129	2	120.9073	2.487	622	121.0140	2.807	686	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HS)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,1|S<4>,3|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HS)(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.8885	3.871	2	120.8885	14.988	2	120.9073	2.487	622	121.0140	2.807	686	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]N[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<3>,1|N<4>,2|C<4>,5|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]N[6]HH)(H){1|C<4>,2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.8435	3.963	2	120.8530	5.405	4	120.9073	2.487	622	121.0140	2.807	686	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]N[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|N<3>,3|C<3>,5|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]N[6]HH)(H){3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.8625	0.712	2	120.8530	5.405	4	120.9073	2.487	622	121.0140	2.807	686	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]S[6]CH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,1|S<2>,3|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]S[6]CH)(H){2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	120.8170	1.195	2	120.8170	1.428	2	120.9073	2.487	622	121.0140	2.807	686	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)2(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Br)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|Br<1>,1|C<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)2(H){1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Br)(H){1|C<3>,2|C<4>,3|H<1>}	119.2450	0.000	1	119.2450	0.000	1	120.9073	2.487	622	121.0140	2.807	686	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)2(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|Br<1>,1|C<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)2(H){1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.3890	0.000	1	120.9081	1.822	32	120.9073	2.487	622	121.0140	2.807	686	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)2(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)2(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.3730	0.000	1	120.9081	1.822	32	120.9073	2.487	622	121.0140	2.807	686	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)2(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,4|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)2(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.7248	0.663	4	120.9081	1.822	32	120.9073	2.487	622	121.0140	2.807	686	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)2(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){2|C<3>,3|C<4>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)2(H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.8770	0.312	4	120.9081	1.822	32	120.9073	2.487	622	121.0140	2.807	686	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)2(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){2|C<4>,3|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)2(H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.8465	0.581	4	120.9081	1.822	32	120.9073	2.487	622	121.0140	2.807	686	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)2(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){2|C<4>,3|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)2(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	121.0445	2.306	2	120.9081	1.822	32	120.9073	2.487	622	121.0140	2.807	686	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)2(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){2|C<4>,3|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)2(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,2|C<4>,2|H<1>}	120.8175	2.317	2	120.9081	1.822	32	120.9073	2.487	622	121.0140	2.807	686	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)2(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){2|C<4>,3|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)2(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|F<1>,2|C<4>,2|H<1>}	120.9865	2.568	2	120.9081	1.822	32	120.9073	2.487	622	121.0140	2.807	686	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)2(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){2|C<4>,3|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)2(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	121.6590	2.164	2	120.9081	1.822	32	120.9073	2.487	622	121.0140	2.807	686	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)2(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){2|C<4>,3|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)2(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.7887	0.453	4	120.9081	1.822	32	120.9073	2.487	622	121.0140	2.807	686	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)2(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){2|C<4>,3|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)2(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	120.8980	3.424	2	120.9081	1.822	32	120.9073	2.487	622	121.0140	2.807	686	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)2(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){2|C<4>,3|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)2(H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.8710	3.715	2	120.9081	1.822	32	120.9073	2.487	622	121.0140	2.807	686	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)2(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){4|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)2(H){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.8985	1.957	2	120.9081	1.822	32	120.9073	2.487	622	121.0140	2.807	686	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)2(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]N)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)2(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]N)(H){1|C<3>,2|C<4>,3|H<1>}	121.2810	0.000	1	121.2810	0.000	1	120.9073	2.487	622	121.0140	2.807	686	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]CN)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<3>,1|N<3>,3|C<4>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CN)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	120.8844	1.690	8	121.0672	2.339	24	120.9073	2.487	622	121.0140	2.807	686	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]CN)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,1|N<2>,3|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CN)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	121.3593	2.021	4	121.0672	2.339	24	120.9073	2.487	622	121.0140	2.807	686	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]CN)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,1|N<2>,3|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CN)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	121.2518	1.543	4	121.0672	2.339	24	120.9073	2.487	622	121.0140	2.807	686	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]CN)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CN)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.9775	1.531	4	121.0672	2.339	24	120.9073	2.487	622	121.0140	2.807	686	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]CN)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CN)(C[6]C[6]HH)(H){3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.0457	1.483	4	121.0672	2.339	24	120.9073	2.487	622	121.0140	2.807	686	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]CN)(C[6]C[6]HN)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<3>,2|N<3>,3|C<4>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CN)(C[6]C[6]HN)(H){2|C<3>,2|C<4>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.7540	1.376	2	120.7540	1.893	2	120.9073	2.487	622	121.0140	2.807	686	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]CO)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CO)(C[6]C[6]HH)(H){1|O<2>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.9393	0.842	4	120.9393	0.709	4	120.9073	2.487	622	121.0140	2.807	686	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]FH)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<3>,1|F<1>,2|C<4>,5|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]FH)(C[6]C[6]HH)(H){1|C<4>,1|F<1>,1|O<2>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.9652	1.784	6	120.9364	2.648	10	120.9073	2.487	622	121.0140	2.807	686	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]FH)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<3>,1|F<1>,2|C<4>,5|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]FH)(C[6]C[6]HH)(H){1|C<4>,1|F<1>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.8932	1.623	4	120.9364	2.648	10	120.9073	2.487	622	121.0140	2.807	686	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]FH)(C[6]C[6]HO)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<3>,1|F<1>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]FH)(C[6]C[6]HO)(H){1|C<4>,1|F<1>,1|O<2>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	121.1400	1.612	2	121.0927	2.348	4	120.9073	2.487	622	121.0140	2.807	686	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]FH)(C[6]C[6]HO)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,1|F<1>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]FH)(C[6]C[6]HO)(H){1|F<1>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	121.0455	2.106	2	121.0927	2.348	4	120.9073	2.487	622	121.0140	2.807	686	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]FH)2(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<3>,2|C<4>,2|F<1>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]FH)2(H){1|C<4>,2|C<3>,2|F<1>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	120.7790	3.382	4	120.7790	11.437	4	120.9073	2.487	622	121.0140	2.807	686	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HN)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Br)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|Br<1>,1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HN)(H){1|O<2>,3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Br)(H){1|C<3>,2|C<4>,3|H<1>}	121.3615	2.464	2	120.5417	5.053	3	120.9073	2.487	622	121.0140	2.807	686	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HN)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Br)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|Br<1>,1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HN)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Br)(H){1|C<3>,2|C<4>,3|H<1>}	118.9020	0.000	1	120.5417	5.053	3	120.9073	2.487	622	121.0140	2.807	686	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HN)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|Br<1>,1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HN)(H){1|O<2>,3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.1935	2.603	2	120.9088	1.862	27	120.9073	2.487	622	121.0140	2.807	686	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HN)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|Br<1>,1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HN)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	122.5730	0.000	1	120.9088	1.862	27	120.9073	2.487	622	121.0140	2.807	686	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HN)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HN)(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.1210	3.233	2	120.9088	1.862	27	120.9073	2.487	622	121.0140	2.807	686	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HN)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HN)(H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.1128	1.133	6	120.9088	1.862	27	120.9073	2.487	622	121.0140	2.807	686	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HN)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HN)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.4917	1.008	4	120.9088	1.862	27	120.9073	2.487	622	121.0140	2.807	686	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HN)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HN)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	120.9115	1.602	2	120.9088	1.862	27	120.9073	2.487	622	121.0140	2.807	686	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HN)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HN)(H){4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.8868	1.261	10	120.9088	1.862	27	120.9073	2.487	622	121.0140	2.807	686	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HO)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HO)(H){1|C<4>,2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.9958	0.885	18	120.9893	0.686	24	120.9073	2.487	622	121.0140	2.807	686	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HO)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HO)(H){2|C<3>,2|O<2>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.9170	0.299	4	120.9893	0.686	24	120.9073	2.487	622	121.0140	2.807	686	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HO)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HO)(H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.0760	1.471	2	120.9893	0.686	24	120.9073	2.487	622	121.0140	2.807	686	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HS)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|S<4>,3|C<3>,5|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HS)(H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.4048	2.864	4	121.4048	8.204	4	120.9073	2.487	622	121.0140	2.807	686	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]CC)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<2>,1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]CC)(H){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.0540	2.110	2	121.0540	4.452	2	120.9073	2.487	622	121.0140	2.807	686	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]HH)(H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.4260	2.353	2	121.0473	4.573	6	120.9073	2.487	622	121.0140	2.807	686	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]HH)(H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.7125	3.992	2	121.0473	4.573	6	120.9073	2.487	622	121.0140	2.807	686	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<3>,1|C<4>,1|N<4>,6|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]HH)(H){2|C<3>,2|C<4>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.0035	0.938	2	121.0473	4.573	6	120.9073	2.487	622	121.0140	2.807	686	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]HO)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,5|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]HO)(H){1|C<4>,1|S<4>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.9420	3.209	2	120.9420	10.297	2	120.9073	2.487	622	121.0140	2.807	686	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]O[6]CH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]O[6]CH)(H){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.8595	0.530	2	120.8595	0.281	2	120.9073	2.487	622	121.0140	2.807	686	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]O[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<3>,1|C<4>,1|O<2>,6|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]O[6]HH)(H){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.9275	0.603	6	120.8872	1.465	8	120.9073	2.487	622	121.0140	2.807	686	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]O[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<3>,1|C<4>,1|O<2>,6|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]O[6]HH)(H){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	120.7665	2.898	2	120.8872	1.465	8	120.9073	2.487	622	121.0140	2.807	686	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]S[6]CH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,1|S<4>,2|C<3>,5|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]S[6]CH)(H){1|C<4>,2|C<3>,2|O<1>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.8355	2.239	4	120.8355	5.014	4	120.9073	2.487	622	121.0140	2.807	686	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|Si<4>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|C<4>,2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]2)(H){2|C<4>,2|H<1>,4|C<3>}	119.0170	0.000	1	119.0170	0.000	1	120.9073	2.487	622	121.0140	2.807	686	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<3>,3|C<4>,5|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|C<4>,2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H){1|C<3>,2|C<4>,3|H<1>}	121.2100	0.000	1	121.2100	0.000	1	120.9073	2.487	622	121.0140	2.807	686	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]F)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<3>,1|F<1>,2|C<4>,5|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|C<4>,2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]F)(H){1|C<3>,1|F<1>,2|C<4>,2|H<1>}	122.5740	0.021	2	122.5740	0.000	2	120.9073	2.487	622	121.0140	2.807	686	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<3>,1|F<1>,2|C<4>,5|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|C<4>,2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|F<1>,2|C<4>,2|H<1>}	119.6935	0.313	2	121.2049	1.995	153	120.9073	2.487	622	121.0140	2.807	686	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|O<2>,3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	120.7890	0.000	1	121.2049	1.995	153	120.9073	2.487	622	121.0140	2.807	686	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<3>,1|S<4>,2|C<4>,5|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|N<4>,2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	122.7565	0.803	2	121.2049	1.995	153	120.9073	2.487	622	121.0140	2.807	686	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<3>,2|C<4>,6|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|Br<1>,1|C<4>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.9610	2.003	2	121.2049	1.995	153	120.9073	2.487	622	121.0140	2.807	686	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<3>,2|C<4>,6|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.0500	1.967	2	121.2049	1.995	153	120.9073	2.487	622	121.0140	2.807	686	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<3>,2|C<4>,6|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	121.4415	2.610	2	121.2049	1.995	153	120.9073	2.487	622	121.0140	2.807	686	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<3>,2|C<4>,6|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.1010	0.576	4	121.2049	1.995	153	120.9073	2.487	622	121.0140	2.807	686	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<3>,2|C<4>,6|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|C<4>,1|S<3>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.1000	1.717	2	121.2049	1.995	153	120.9073	2.487	622	121.0140	2.807	686	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<3>,2|C<4>,6|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|C<4>,2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	121.6890	0.269	2	121.2049	1.995	153	120.9073	2.487	622	121.0140	2.807	686	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<3>,2|C<4>,6|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|C<4>,2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	121.4232	0.805	4	121.2049	1.995	153	120.9073	2.487	622	121.0140	2.807	686	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<3>,2|C<4>,6|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|C<4>,2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.1519	0.998	24	121.2049	1.995	153	120.9073	2.487	622	121.0140	2.807	686	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<3>,2|C<4>,6|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|C<4>,2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	121.4106	1.585	10	121.2049	1.995	153	120.9073	2.487	622	121.0140	2.807	686	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<3>,2|C<4>,6|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|C<4>,2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	121.6547	1.481	12	121.2049	1.995	153	120.9073	2.487	622	121.0140	2.807	686	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<3>,2|C<4>,6|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|C<4>,2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	121.6863	0.190	3	121.2049	1.995	153	120.9073	2.487	622	121.0140	2.807	686	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<3>,2|C<4>,6|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|C<4>,3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.4565	2.399	2	121.2049	1.995	153	120.9073	2.487	622	121.0140	2.807	686	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<3>,2|C<4>,6|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|N<3>,2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	121.0450	1.358	6	121.2049	1.995	153	120.9073	2.487	622	121.0140	2.807	686	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<3>,2|C<4>,6|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|N<3>,2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.2155	1.117	4	121.2049	1.995	153	120.9073	2.487	622	121.0140	2.807	686	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<3>,2|C<4>,6|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|N<3>,3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,2|C<4>,2|H<1>}	120.8988	0.292	4	121.2049	1.995	153	120.9073	2.487	622	121.0140	2.807	686	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<3>,2|C<4>,6|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|N<3>,3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.1880	0.846	2	121.2049	1.995	153	120.9073	2.487	622	121.0140	2.807	686	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<3>,2|C<4>,6|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|O<2>,3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.6342	1.206	4	121.2049	1.995	153	120.9073	2.487	622	121.0140	2.807	686	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<3>,2|C<4>,6|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|S<2>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.3535	1.068	2	121.2049	1.995	153	120.9073	2.487	622	121.0140	2.807	686	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<3>,2|C<4>,6|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){2|C<3>,2|C<4>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	121.6295	1.859	4	121.2049	1.995	153	120.9073	2.487	622	121.0140	2.807	686	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<3>,2|C<4>,6|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){2|C<3>,2|C<4>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	121.3330	3.144	2	121.2049	1.995	153	120.9073	2.487	622	121.0140	2.807	686	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<3>,2|C<4>,6|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){3|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.0450	3.059	2	121.2049	1.995	153	120.9073	2.487	622	121.0140	2.807	686	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<3>,3|C<4>,5|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|C<4>,2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.7750	0.000	1	121.2049	1.995	153	120.9073	2.487	622	121.0140	2.807	686	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|C<2>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	119.7430	0.000	1	121.2049	1.995	153	120.9073	2.487	622	121.0140	2.807	686	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,2|C<3>,6|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|C<2>,1|N<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.0170	2.215	2	121.2049	1.995	153	120.9073	2.487	622	121.0140	2.807	686	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,2|C<3>,6|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|C<2>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.8100	2.004	2	121.2049	1.995	153	120.9073	2.487	622	121.0140	2.807	686	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,2|C<3>,6|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|C<2>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	121.0735	2.485	2	121.2049	1.995	153	120.9073	2.487	622	121.0140	2.807	686	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,2|C<3>,6|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|C<2>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	120.9320	3.001	2	121.2049	1.995	153	120.9073	2.487	622	121.0140	2.807	686	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,2|C<3>,6|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.9262	2.074	4	121.2049	1.995	153	120.9073	2.487	622	121.0140	2.807	686	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,2|C<3>,6|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.9055	3.012	2	121.2049	1.995	153	120.9073	2.487	622	121.0140	2.807	686	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,2|C<3>,6|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.8680	1.602	2	121.2049	1.995	153	120.9073	2.487	622	121.0140	2.807	686	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,2|C<3>,6|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.1880	1.612	2	121.2049	1.995	153	120.9073	2.487	622	121.0140	2.807	686	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,2|C<3>,6|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.9640	0.916	4	121.2049	1.995	153	120.9073	2.487	622	121.0140	2.807	686	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,2|C<3>,6|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|F<1>,2|C<4>,2|H<1>}	121.1150	2.920	2	121.2049	1.995	153	120.9073	2.487	622	121.0140	2.807	686	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,2|C<3>,6|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.1785	1.216	2	121.2049	1.995	153	120.9073	2.487	622	121.0140	2.807	686	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,2|C<3>,6|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.7735	0.977	2	121.2049	1.995	153	120.9073	2.487	622	121.0140	2.807	686	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,2|C<3>,6|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|O<1>,2|H<1>,2|O<2>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.1015	2.968	2	121.2049	1.995	153	120.9073	2.487	622	121.0140	2.807	686	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,2|C<3>,6|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|O<2>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	121.1765	3.316	2	121.2049	1.995	153	120.9073	2.487	622	121.0140	2.807	686	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,2|C<3>,6|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.2145	0.722	4	121.2049	1.995	153	120.9073	2.487	622	121.0140	2.807	686	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|O<2>,3|C<3>,5|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.1090	0.000	1	121.2049	1.995	153	120.9073	2.487	622	121.0140	2.807	686	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){3|C<3>,6|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|C<4>,2|C<3>,2|H<1>,2|O<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.8385	1.232	2	121.2049	1.995	153	120.9073	2.487	622	121.0140	2.807	686	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){3|C<3>,6|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|N<3>,2|C<3>,2|H<1>,2|O<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|F<1>,2|C<4>,2|H<1>}	120.8315	2.999	2	121.2049	1.995	153	120.9073	2.487	622	121.0140	2.807	686	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){3|C<3>,6|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.4815	5.014	2	121.2049	1.995	153	120.9073	2.487	622	121.0140	2.807	686	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){3|C<3>,6|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	121.3148	2.080	4	121.2049	1.995	153	120.9073	2.487	622	121.0140	2.807	686	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]N)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|C<2>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]N)(H){1|C<3>,2|C<4>,3|H<1>}	121.9770	0.000	1	121.9770	0.000	1	120.9073	2.487	622	121.0140	2.807	686	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|O<2>,3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	120.4970	0.000	1	120.4980	0.000	2	120.9073	2.487	622	121.0140	2.807	686	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|O<2>,3|C<3>,5|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,2|C<4>,3|H<1>}	120.4990	0.000	1	120.4980	0.000	2	120.9073	2.487	622	121.0140	2.807	686	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]S)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<3>,1|S<4>,2|C<4>,5|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|N<4>,2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]S)(H){1|C<3>,2|C<4>,3|H<1>}	119.1630	0.420	2	119.1630	0.176	2	120.9073	2.487	622	121.0140	2.807	686	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Si)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|Si<4>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|C<4>,2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Si)(H){2|C<3>,2|C<4>,2|H<1>}	123.4070	0.000	1	121.6396	3.130	5	120.9073	2.487	622	121.0140	2.807	686	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Si)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){2|Si<4>,1|C<3>,2|C<4>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|C<4>,2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Si)(H){2|C<3>,2|C<4>,2|H<1>}	121.1977	1.695	4	121.6396	3.130	5	120.9073	2.487	622	121.0140	2.807	686	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	C[6a](C[6a]C[6a]C[6])2(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<3>,4|C<4>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|C<4>,2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[6])2(H){1|Br<1>,1|C<3>,3|H<1>,4|C<4>}	120.9715	0.719	2	121.1391	0.270	8	120.9073	2.487	622	121.0140	2.807	686	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	C[6a](C[6a]C[6a]C[6])2(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<3>,4|C<4>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|C<4>,2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[6])2(H){1|C<3>,1|N<3>,3|H<1>,4|C<4>}	121.3582	0.120	4	121.1391	0.270	8	120.9073	2.487	622	121.0140	2.807	686	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	C[6a](C[6a]C[6a]C[6])2(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<3>,4|C<4>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|C<4>,2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[6])2(H){2|C<3>,3|H<1>,4|C<4>}	120.8685	0.968	2	121.1391	0.270	8	120.9073	2.487	622	121.0140	2.807	686	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(C[6]C[6]HP)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<3>,1|N<3>,1|P<4>,2|C<4>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(C[6]C[6]HP)(H){2|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.3300	0.361	2	120.3300	0.130	2	120.9073	2.487	622	121.0140	2.807	686	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]HN)2(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<3>,2|C<4>,2|N<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HN)2(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.0080	3.647	2	121.0080	13.302	2	120.9073	2.487	622	121.0140	2.807	686	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]O[6]HH)2(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<3>,2|O<2>,6|H<1>}	C[6](C[6a]C[6a]2)(C[6]O[6]HH)2(H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	120.9905	2.949	4	120.8880	5.374	6	120.9073	2.487	622	121.0140	2.807	686	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]O[6]HH)2(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<3>,2|O<2>,6|H<1>}	C[6](C[6a]C[6a]2)(C[6]O[6]HH)2(H){1|P<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.6830	0.808	2	120.8880	5.374	6	120.9073	2.487	622	121.0140	2.807	686	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:N[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]O)(C[6]C[6]2H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2(H)	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]O)(C[6]C[6]2H){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2(H){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]C)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	125.1070	0.000	1	125.6446	0.391	13	125.6446	0.391	13	121.0140	2.807	686	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:N[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(N[6a]C[6a]O)(C[6]C[6]2H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2(H)	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]O)(C[6]C[6]2H){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2(H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]C)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	125.6894	0.631	12	125.6446	0.391	13	125.6446	0.391	13	121.0140	2.807	686	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C-2:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(C[6]C[6]2H)	C[6](C[6a]C[5a,6a]C[6a])(C[6]C[6]HH)2(H)	C[6a](C[6a]C[5a,6a]C[6])(C[6a]C[6a]H)(CN)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(C[6]C[6]2H){1|N<3>,2|C<3>,2|C<4>,6|H<1>}	C[6](C[6a]C[5a,6a]C[6a])(C[6]C[6]HH)2(H){1|C<2>,1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[5a,6a]C[6])(C[6a]C[6a]H)(CN){2|C<3>,2|C<4>,2|H<1>}	119.9590	0.310	2	119.9590	0.096	2	119.9590	0.096	2	120.7569	1.853	16	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:2:	C[6a,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(C[6]C[6]2H)	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)2(H)	C[6a](C[6a]C[6a,6a]C[6])(C[6a]O[6a]O)(OH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(C[6]C[6]2H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)2(H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a,6a]C[6])(C[6a]O[6a]O)(OH){1|H<1>,2|C<3>,2|C<4>}	122.2620	0.000	1	122.2620	0.000	1	122.2620	0.000	1	120.7569	1.853	16	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:2:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])(OH)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(C[6]C[6]2H){1|C<4>,3|C<3>,5|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])(OH){2|C<4>,3|C<3>,3|H<1>}	119.7540	0.000	1	119.7540	0.000	1	119.7540	0.000	1	120.7569	1.853	16	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:2:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H){2|O<2>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	122.2050	0.000	1	122.8010	0.710	2	120.8481	2.095	12	120.7569	1.853	16	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:2:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2H){2|C<3>,2|C<4>,5|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<4>,2|H<1>,2|O<2>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,2|C<4>,3|H<1>}	123.3970	0.000	1	122.8010	0.710	2	120.8481	2.095	12	120.7569	1.853	16	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:2:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)2(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2H){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)2(H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	119.2270	0.000	1	121.0870	6.919	2	120.8481	2.095	12	120.7569	1.853	16	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:2:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)2(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2H){2|C<4>,3|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)2(H){1|C<4>,2|H<1>,2|O<2>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,2|C<4>,3|H<1>}	122.9470	0.000	1	121.0870	6.919	2	120.8481	2.095	12	120.7569	1.853	16	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:2:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HN)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HN)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,2|C<4>,3|H<1>}	120.4630	1.875	2	120.4630	3.517	2	120.8481	2.095	12	120.7569	1.853	16	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:2:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HO)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HO)(H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH){1|C<3>,2|C<4>,3|H<1>}	119.8650	0.618	2	119.8650	0.382	2	120.8481	2.095	12	120.7569	1.853	16	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:2:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){2|O<2>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	119.9050	0.000	1	119.9050	0.000	1	120.8481	2.095	12	120.7569	1.853	16	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:2:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2H){1|C<3>,3|C<4>,5|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH){1|C<3>,2|H<1>,3|C<4>}	120.6133	0.497	3	120.6133	0.247	3	120.8481	2.095	12	120.7569	1.853	16	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]OO)(H)	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(C[6]C[6]2H){1|N<3>,2|C<4>,2|O<2>,3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]OO)(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[5a]C[5a]N[5a])(C[6a]C[6a]C[6])(C[6a]C[6a]H){3|C<3>,3|C<4>,4|H<1>}	127.1260	0.000	1	127.1260	0.000	1	127.1260	0.000	1	122.8837	2.459	22	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a,6a]-3:C[6a]-3:N[5]-3:	C[6a](C[6a]C[6a,6a]N[5])(C[6a]C[6a]H)(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])(N[5]C[5,6]C[5])	C[6a](C[6a]C[6a,6a]N[5])(C[6a]C[6a]H)(C[6]C[6]2H){3|C<3>,3|C<4>,5|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])(N[5]C[5,6]C[5]){1|Ir<6>,1|N<3>,3|C<3>,4|C<4>,4|H<1>}	123.1935	0.697	2	123.1935	0.485	2	122.9042	0.266	6	122.8837	2.459	22	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a,6a]-3:C[6a]-3:N[5]-3:	C[6a](C[6a]C[6a,6a]N[5])(C[6a]C[6a]H)(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])(N[5]C[5]2)	C[6a](C[6a]C[6a,6a]N[5])(C[6a]C[6a]H)(C[6]C[6]2H){3|C<3>,3|C<4>,5|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])(N[5]C[5]2){1|Ir<6>,1|N<3>,3|C<3>,3|C<4>,5|H<1>}	122.6310	0.506	2	122.7595	0.198	4	122.9042	0.266	6	122.8837	2.459	22	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a,6a]-3:C[6a]-3:N[5]-3:	C[6a](C[6a]C[6a,6a]N[5])(C[6a]C[6a]H)(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])(N[5]C[5]2)	C[6a](C[6a]C[6a,6a]N[5])(C[6a]C[6a]H)(C[6]C[6]2H){3|C<3>,3|C<4>,5|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])(N[5]C[5]2){1|Ru<5>,1|N<3>,3|C<3>,3|C<4>,5|H<1>}	122.8880	0.522	2	122.7595	0.198	4	122.9042	0.266	6	122.8837	2.459	22	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[5a]-3:C[6a]-3:	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[5a]C[5a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(C[6]C[6]2H){2|C<4>,4|C<3>,5|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<4>,3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[5a]C[5a]2)(C[6a]C[6a]H){1|N<3>,2|C<4>,3|H<1>,4|C<3>}	119.9805	0.250	2	119.9805	0.062	2	119.9805	0.062	2	122.8837	2.459	22	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]OO)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CNO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[6]C[6]2H){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]OO)(H){1|C<4>,1|N<3>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CNO){1|C<3>,2|C<4>,3|H<1>}	125.8550	0.000	1	125.8550	0.000	1	125.8550	0.000	1	122.8837	2.459	22	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	C[6a](C[6a]C[6a]C[6])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6]C[6]2H){3|C<3>,4|C<4>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|C<4>,3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])2(C[6a]C[6a]2){1|O<2>,3|C<3>,4|C<4>,5|H<1>}	122.0670	0.296	2	122.0670	0.087	2	122.0670	0.087	2	122.8837	2.459	22	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]S[6]CH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[6]C[6]2H){1|C<4>,1|S<2>,2|C<3>,5|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]S[6]CH)(H){1|Br<1>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NOO){1|C<3>,2|C<4>,3|H<1>}	124.2770	0.000	1	124.2770	0.000	1	122.8941	0.570	10	122.8837	2.459	22	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(NC[5]Ni)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[6]C[6]2H){1|C<3>,3|C<4>,5|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(NC[5]Ni){1|C<3>,2|C<4>,3|H<1>}	123.2490	0.000	1	123.2490	0.000	1	122.8941	0.570	10	122.8837	2.459	22	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	C[6a](C[6a]C[6a]C[6])2(NC[6]Ni)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[6]C[6]2H){1|C<3>,3|C<4>,5|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])2(NC[6]Ni){1|C<3>,4|C<4>,4|H<1>}	122.3725	0.381	2	122.3725	0.145	2	122.8941	0.570	10	122.8837	2.459	22	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	C[6a](C[6a]C[6a]C[6])2(NMgC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[6]C[6]2H){1|C<3>,4|C<4>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])2(NMgC){1|C<3>,4|C<4>,4|H<1>}	122.6825	0.748	4	122.6825	0.559	4	122.8941	0.570	10	122.8837	2.459	22	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	C[6a](C[6a]C[6a]C[6])2(NNiC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[6]C[6]2H){1|C<3>,3|C<4>,5|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])2(NNiC){1|C<3>,4|C<4>,4|H<1>}	122.9700	0.730	2	122.9700	0.533	2	122.8941	0.570	10	122.8837	2.459	22	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:4:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2H){1|C<3>,5|C<4>,6|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){2|C<3>,2|C<4>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2H){1|C<3>,5|C<4>,6|H<1>}	122.7253	0.721	4	122.7253	0.519	4	122.7253	0.519	4	122.7253	0.519	4	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:2:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2O)	C[6](C[6a]C[6,6a]C[6a])(C[6]C[6]HH)2(OH)	C[6a](C[6a]C[6,6a]C[6])(C[6a]C[6a]C[6])(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2O){2|C<3>,4|C<4>,6|H<1>}	C[6](C[6a]C[6,6a]C[6a])(C[6]C[6]HH)2(OH){2|C<3>,2|C<4>,5|H<1>}	C[6a](C[6a]C[6,6a]C[6])(C[6a]C[6a]C[6])(H){1|C<3>,1|H<1>,2|O<2>,5|C<4>}	117.8600	0.000	1	117.8600	0.000	1	117.8600	0.000	1	121.1212	3.240	195	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:2:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:C-2:	C[6a]-3:C[6a]-3:Br-1:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(C[6]C[6]2C)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(CN)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(C[6]C[6]2C){1|C<3>,2|C<4>,6|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(CN){1|Br<1>,1|C<4>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Br){1|C<2>,1|C<3>,2|C<4>,2|H<1>}	123.2830	0.000	1	123.2830	0.000	1	123.2830	0.000	1	121.1212	3.240	195	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:2:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:C-2:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2C)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(CN)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2C){1|C<3>,2|C<4>,6|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(CN){1|Cl<1>,1|C<4>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl){1|C<2>,1|C<3>,2|C<4>,2|H<1>}	123.0900	0.000	1	123.0900	0.000	1	123.0900	0.000	1	121.1212	3.240	195	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:2:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(C[6]C[6]2C)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(CN)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(C[6]C[6]2C){1|C<3>,2|C<4>,6|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(CN){1|Br<1>,1|C<4>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<2>,1|C<3>,1|H<1>,2|C<4>}	120.4650	0.000	1	120.4650	0.000	1	120.5655	1.573	4	121.1212	3.240	195	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:2:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2C)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(CN)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2C){1|C<3>,2|C<4>,6|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(CN){1|Cl<1>,1|C<4>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<2>,1|C<3>,1|H<1>,2|C<4>}	120.7820	0.000	1	120.7820	0.000	1	120.5655	1.573	4	121.1212	3.240	195	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:2:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(CN)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C){1|C<3>,2|C<4>,6|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(CN){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,2|C<4>,2|H<1>}	120.5075	2.157	2	120.5075	4.654	2	120.5655	1.573	4	121.1212	3.240	195	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:2:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:O-2:	C[6,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(C[6]C[6]2O)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(OH)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C[6])(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(C[6]C[6]2O){2|C<3>,3|C<4>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(OH){1|C<4>,2|C<3>,6|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C[6])(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,4|C<4>}	121.6930	0.000	1	121.6930	0.000	1	121.6930	0.000	1	121.1212	3.240	195	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:2:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:O-2:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)2(C[6]C[6]2O)	C[6](C[6a]C[6a]2)(C[6]C[6]FF)2(OAl)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]F)(F)	C[6a](C[6a]C[6a]F)2(C[6]C[6]2O){1|C<3>,2|C<4>,6|F<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]FF)2(OAl){1|C<4>,2|C<3>,6|F<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]F)(F){1|C<3>,1|O<2>,2|C<4>,2|F<1>}	122.7683	4.836	12	122.7683	23.388	12	122.9538	19.667	15	121.1212	3.240	195	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:2:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:O-2:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)2(C[6]C[6]2O)	C[6](C[6a]C[6a]2)(C[6]C[6]FF)2(OH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]F)(F)	C[6a](C[6a]C[6a]F)2(C[6]C[6]2O){1|C<3>,2|C<4>,6|F<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]FF)2(OH){1|C<4>,2|C<3>,6|F<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]F)(F){1|C<3>,1|O<2>,2|C<4>,2|F<1>}	123.6960	2.828	3	123.6960	7.999	3	122.9538	19.667	15	121.1212	3.240	195	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:2:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(C[6]C[6]2O)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(OH)	C[6a](C[6a]C[6,6a]C[6])(C[6a]C[6a]C[6])(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(C[6]C[6]2O){2|C<3>,3|C<4>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(OH){1|C<4>,2|C<3>,6|H<1>}	C[6a](C[6a]C[6,6a]C[6])(C[6a]C[6a]C[6])(H){1|C<3>,1|H<1>,2|O<2>,5|C<4>}	121.8030	0.000	1	121.8030	0.000	1	120.9291	1.516	168	121.1212	3.240	195	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:2:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6]C[6]2O)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(OC[6])	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6]C[6]2O){2|C<4>,3|C<3>,6|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(OC[6]){1|C<4>,3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	121.2160	0.269	2	121.2160	0.072	2	120.9291	1.516	168	121.1212	3.240	195	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:2:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6]C[6]2O)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(OH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6]C[6]2O){2|C<4>,3|C<3>,6|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(OH){1|C<4>,3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	118.2875	0.223	2	118.2875	0.050	2	120.9291	1.516	168	121.1212	3.240	195	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:2:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[6]C[6]2O)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HO)(OH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[6]C[6]2O){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HO)(OH){2|C<3>,2|C<4>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	120.8170	0.000	1	120.8170	0.000	1	120.9291	1.516	168	121.1212	3.240	195	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:2:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[6]C[6]2O)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(OH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[6]C[6]2O){1|C<3>,2|C<4>,6|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(OH){2|C<3>,2|C<4>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	118.3250	0.000	1	118.3250	0.000	1	120.9291	1.516	168	121.1212	3.240	195	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:2:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O)	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]HH)(OSi)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O){2|C<4>,3|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]HH)(OSi){4|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	121.4600	2.662	2	121.4600	7.084	2	120.9291	1.516	168	121.1212	3.240	195	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:2:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(OH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(OH){1|C<4>,2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	121.3124	0.295	5	120.9290	0.431	31	120.9291	1.516	168	121.1212	3.240	195	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:2:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(OH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O){1|C<4>,3|C<3>,5|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(OH){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	120.7565	1.249	2	120.9290	0.431	31	120.9291	1.516	168	121.1212	3.240	195	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:2:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(OH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O){1|C<4>,3|C<3>,5|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(OH){1|C<4>,2|C<3>,2|H<1>,2|O<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	120.5635	1.278	2	120.9290	0.431	31	120.9291	1.516	168	121.1212	3.240	195	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:2:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(OH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O){2|C<3>,2|C<4>,5|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(OH){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	120.9610	2.082	2	120.9290	0.431	31	120.9291	1.516	168	121.1212	3.240	195	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:2:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(OH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O){2|C<3>,2|C<4>,5|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(OH){1|C<4>,2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	121.0160	0.284	2	120.9290	0.431	31	120.9291	1.516	168	121.1212	3.240	195	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:2:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(OH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O){2|C<3>,2|C<4>,5|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(OH){1|C<4>,3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	120.7185	0.856	2	120.9290	0.431	31	120.9291	1.516	168	121.1212	3.240	195	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:2:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(OH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O){2|C<3>,2|C<4>,5|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(OH){1|C<4>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|F<1>,1|H<1>,1|O<2>,2|C<4>}	120.4345	0.448	2	120.9290	0.431	31	120.9291	1.516	168	121.1212	3.240	195	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:2:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(OH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O){2|C<3>,2|C<4>,5|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(OH){1|C<4>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	120.9528	0.461	12	120.9290	0.431	31	120.9291	1.516	168	121.1212	3.240	195	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:2:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(OH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O){2|C<3>,2|C<4>,5|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(OH){1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	120.9510	0.198	2	120.9290	0.431	31	120.9291	1.516	168	121.1212	3.240	195	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:2:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(OH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(OH){1|C<4>,2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	120.2630	0.597	5	120.2630	0.357	5	120.9291	1.516	168	121.1212	3.240	195	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:2:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HO)(OH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HO)(OH){4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	120.3490	0.529	2	120.3490	0.280	2	120.9291	1.516	168	121.1212	3.240	195	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:2:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)2(OH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O){1|C<3>,4|C<4>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)2(OH){1|C<4>,2|O<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	120.7010	0.815	4	120.7835	0.415	6	120.9291	1.516	168	121.1212	3.240	195	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:2:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)2(OH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O){2|C<3>,3|C<4>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)2(OH){1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	120.9485	0.016	2	120.7835	0.415	6	120.9291	1.516	168	121.1212	3.240	195	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:2:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O)	C[6](C[6a]C[6a]2)(C[6]C[6]FH)(C[6]C[6]HH)(OH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O){1|C<3>,1|F<1>,2|C<4>,5|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]FH)(C[6]C[6]HH)(OH){1|C<4>,2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	120.7583	0.336	4	120.7583	0.113	4	120.9291	1.516	168	121.1212	3.240	195	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:2:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O)	C[6](C[6a]C[6a]2)(C[6]C[6]FH)2(OH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O){1|C<3>,2|C<4>,2|F<1>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]FH)2(OH){1|C<4>,2|C<3>,2|F<1>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	120.2695	1.867	2	120.2695	3.487	2	120.9291	1.516	168	121.1212	3.240	195	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:2:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HN)(OH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HN)(OH){1|C<4>,2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|H<1>,1|O<2>,2|C<4>}	120.9225	1.193	2	121.2306	7.204	8	120.9291	1.516	168	121.1212	3.240	195	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:2:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HN)(OH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HN)(OH){1|C<4>,2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	121.8563	3.885	4	121.2306	7.204	8	120.9291	1.516	168	121.1212	3.240	195	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:2:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HN)(OH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HN)(OH){1|C<4>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	120.2875	0.431	2	121.2306	7.204	8	120.9291	1.516	168	121.1212	3.240	195	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:2:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HO)(OC)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HO)(OC){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	120.9545	0.313	2	120.9545	0.098	2	120.9291	1.516	168	121.1212	3.240	195	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:2:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HO)(OH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HO)(OH){1|C<4>,2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	121.0747	1.514	4	121.0747	2.293	4	120.9291	1.516	168	121.1212	3.240	195	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:2:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HS)(OH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O){1|C<3>,1|S<2>,2|C<4>,5|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HS)(OH){2|C<3>,2|H<1>,5|C<4>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	121.1980	0.539	4	120.9088	0.431	6	120.9291	1.516	168	121.1212	3.240	195	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:2:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HS)(OH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O){1|C<3>,1|S<4>,2|C<4>,5|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HS)(OH){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	120.3305	0.532	2	120.9088	0.431	6	120.9291	1.516	168	121.1212	3.240	195	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:2:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]CH)(OH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]CH)(OH){1|C<4>,1|S<4>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	120.8512	2.175	4	120.8512	4.731	4	120.9291	1.516	168	121.1212	3.240	195	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:2:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(OC)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]F)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O){1|C<3>,1|F<1>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(OC){1|O<2>,2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]F)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	118.3840	0.000	1	118.3840	0.000	1	120.9291	1.516	168	121.1212	3.240	195	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:2:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(OC)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O){1|C<3>,2|C<4>,6|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(OC){1|C<4>,2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	121.5100	0.214	2	121.7164	1.309	13	120.9291	1.516	168	121.1212	3.240	195	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:2:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(OC)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O){1|C<3>,2|C<4>,6|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(OC){1|C<4>,2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	121.7539	1.248	11	121.7164	1.309	13	120.9291	1.516	168	121.1212	3.240	195	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:2:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(OC)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O){1|C<3>,1|F<1>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(OC){1|O<2>,2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	122.5850	0.000	1	122.5850	0.000	1	120.9291	1.516	168	121.1212	3.240	195	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:2:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(OH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O){1|C<3>,3|C<4>,5|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(OH){1|N<4>,2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	120.3880	0.000	1	120.3880	0.000	1	120.9291	1.516	168	121.1212	3.240	195	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:2:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(OH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O){1|C<3>,2|C<4>,6|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(OH){1|N<3>,2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|H<1>,1|O<2>,2|C<4>}	121.2160	1.554	8	120.9500	1.341	69	120.9291	1.516	168	121.1212	3.240	195	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:2:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(OH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O){1|C<3>,2|C<4>,6|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(OH){1|N<4>,2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|H<1>,1|O<2>,2|C<4>}	120.9089	0.847	54	120.9500	1.341	69	120.9291	1.516	168	121.1212	3.240	195	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:2:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(OH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O){1|C<3>,2|C<4>,6|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(OH){1|O<2>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	120.8100	4.650	2	120.9500	1.341	69	120.9291	1.516	168	121.1212	3.240	195	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:2:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(OH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O){1|C<3>,3|C<4>,5|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(OH){1|N<4>,2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	121.1000	0.000	1	120.9500	1.341	69	120.9291	1.516	168	121.1212	3.240	195	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:2:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(OH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O){1|C<4>,2|C<3>,6|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(OH){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	121.0230	2.925	2	120.9500	1.341	69	120.9291	1.516	168	121.1212	3.240	195	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:2:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(OH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O){1|C<4>,2|C<3>,6|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(OH){1|N<3>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	120.9880	2.325	2	120.9500	1.341	69	120.9291	1.516	168	121.1212	3.240	195	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:2:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:S-2:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(C[6]C[6]2S)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(SC[6a])	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(F)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(C[6]C[6]2S){1|C<3>,1|F<1>,2|C<4>,5|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(SC[6a]){1|C<4>,1|F<1>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(F){1|C<3>,1|S<2>,2|C<4>,2|H<1>}	123.9350	1.198	2	123.9350	1.435	2	123.9350	1.435	2	121.1212	3.240	195	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:2:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:S-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(C[6]C[6]2S)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(SC[6a])	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]F)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(C[6]C[6]2S){1|C<3>,1|F<1>,2|C<4>,5|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(SC[6a]){1|C<4>,1|F<1>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]F)(H){1|C<3>,1|F<1>,1|H<1>,1|S<2>,2|C<4>}	121.0930	0.925	2	121.0930	0.855	2	121.0930	0.855	2	121.1212	3.240	195	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:2:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6]C[6]2O)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(OC[6])	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6]C[6]2O){2|C<4>,3|C<3>,6|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(OC[6]){1|C<4>,3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]2)(C[6a]C[6a]H){1|O<2>,3|C<3>,3|C<4>,3|H<1>}	121.2425	0.552	2	121.2425	0.305	2	122.6483	2.769	4	122.6483	2.769	4	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:2:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6]C[6]2O)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(OH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6]C[6]2O){2|C<4>,3|C<3>,6|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(OH){1|C<4>,3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]2)(C[6a]C[6a]H){1|O<2>,3|C<3>,3|C<4>,3|H<1>}	124.0540	0.313	2	124.0540	0.098	2	122.6483	2.769	4	122.6483	2.769	4	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:2:	3:3:4:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[6]C[6]2O)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HO)(OH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[6]C[6]2O){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HO)(OH){2|C<3>,2|C<4>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	121.3910	0.000	1	121.3910	0.000	1	121.7048	3.178	8	121.7048	3.178	8	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:2:	3:3:4:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[6]C[6]2O)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(OH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CF3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[6]C[6]2O){1|C<3>,2|C<4>,6|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(OH){2|C<3>,2|C<4>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CF3){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	124.9410	0.000	1	124.9410	0.000	1	121.7048	3.178	8	121.7048	3.178	8	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:2:	3:3:4:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(C[6]C[6]2O)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(OH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(C[6]C[6]2O){1|C<3>,2|C<4>,6|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(OH){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3){1|C<3>,1|O<2>,4|C<4>}	121.2177	1.432	6	121.2177	2.050	6	121.7048	3.178	8	121.7048	3.178	8	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:3:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:C-3:	C[6a]-3:C[6a]-3:Br-1:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(C[6]C[6]2C)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(CNO)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(C[6]C[6]2C){1|C<3>,2|C<4>,6|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(CNO){1|Br<1>,1|C<4>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Br){2|C<3>,2|C<4>,2|H<1>}	123.6700	0.007	2	123.6700	0.000	2	123.6700	0.000	2	121.5056	2.316	43	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:3:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:C-3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2C)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(CNO)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2C){1|C<3>,2|C<4>,6|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(CNO){1|Cl<1>,1|C<4>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl){2|C<3>,2|C<4>,2|H<1>}	122.9390	0.427	3	122.9390	0.182	3	122.9390	0.182	3	121.5056	2.316	43	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:3:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:C-3:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(C[6]C[6]2C)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(CNO)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(F)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(C[6]C[6]2C){1|C<3>,2|C<4>,6|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(CNO){1|C<4>,1|F<1>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(F){2|C<3>,2|C<4>,2|H<1>}	121.3660	0.000	1	121.3660	0.000	1	121.3660	0.000	1	121.5056	2.316	43	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:3:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(C[6]C[6]2C)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(CNO)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(C[6]C[6]2C){1|C<3>,2|C<4>,6|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(CNO){1|Br<1>,1|C<4>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,2|C<3>,2|C<4>}	121.4760	0.386	2	121.4760	0.149	2	121.2851	2.266	36	121.5056	2.316	43	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:3:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2C)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(CNO)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2C){1|C<3>,2|C<4>,6|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(CNO){1|Cl<1>,1|C<4>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,2|C<3>,2|C<4>}	122.0020	0.911	3	122.0020	0.830	3	121.2851	2.266	36	121.5056	2.316	43	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:3:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(C[6]C[6]2C)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(CNO)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(C[6]C[6]2C){1|C<3>,2|C<4>,6|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(CNO){1|C<4>,1|F<1>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|F<1>,1|H<1>,2|C<3>,2|C<4>}	123.8670	0.000	1	123.8670	0.000	1	121.2851	2.266	36	121.5056	2.316	43	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:3:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C)	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]HH)(CCH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C){1|C<3>,2|C<2>,2|C<4>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]HH)(CCH){1|N<3>,3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	121.2090	0.915	2	121.2090	0.837	2	121.2851	2.266	36	121.5056	2.316	43	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:3:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(COO)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C){1|C<3>,3|C<4>,5|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(COO){1|N<4>,2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	120.9402	0.730	4	120.9402	0.533	4	121.2851	2.266	36	121.5056	2.316	43	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:3:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C)	C[6](C[6a]C[6a]2)(C[6]C[6]CO)(C[6]C[6]HH)(COO)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CO)(C[6]C[6]HH)(COO){3|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	121.1150	0.116	2	121.1150	0.013	2	121.2851	2.266	36	121.5056	2.316	43	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:3:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HN)(CC[6a]O)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C){1|C<3>,1|N<2>,2|C<4>,5|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HN)(CC[6a]O){1|C<4>,2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	121.3880	4.740	2	121.3880	22.472	2	121.2851	2.266	36	121.5056	2.316	43	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:3:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(CCO)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C){1|C<4>,2|C<3>,6|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(CCO){1|N<2>,2|C<3>,2|H<1>,3|C<4>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	121.2410	2.956	2	121.2410	8.736	2	121.2851	2.266	36	121.5056	2.316	43	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:3:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(CHO)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C){1|C<3>,2|C<4>,6|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(CHO){1|C<4>,2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	120.9345	1.595	2	120.9345	2.543	2	121.2851	2.266	36	121.5056	2.316	43	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:3:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(CNO)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C){1|C<3>,2|C<4>,6|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(CNO){1|C<4>,2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	120.9105	2.162	4	120.9105	4.674	4	121.2851	2.266	36	121.5056	2.316	43	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:3:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(COO)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C){1|C<3>,2|C<4>,6|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(COO){1|C<4>,2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	121.2518	1.278	6	121.1885	1.591	12	121.2851	2.266	36	121.5056	2.316	43	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:3:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(COO)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C){1|C<4>,2|C<3>,6|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(COO){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	120.9730	2.191	2	121.1885	1.591	12	121.2851	2.266	36	121.5056	2.316	43	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:3:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(COO)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C){3|C<3>,6|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(COO){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	121.2013	1.215	4	121.1885	1.591	12	121.2851	2.266	36	121.5056	2.316	43	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:3:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]3)	C[6](C[6a]C[6a]2)(C[6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]3){1|C<4>,4|C<3>,6|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,2|C<3>,2|O<1>,3|O<2>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	120.9540	0.000	1	120.9540	0.000	1	120.9540	0.000	1	121.5056	2.316	43	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:3:	3:3:2:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:C[6]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]3)	C[6](C[6a]C[6a]2)(C[6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]3){1|C<4>,4|C<3>,6|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,2|C<3>,2|O<1>,3|O<2>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){2|C<3>,2|C<4>,2|H<1>}	122.2780	0.000	1	122.2780	0.000	1	122.2780	0.000	1	122.2780	0.000	1	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:4:	3:3:1:	C[5a,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(C[6]C[6]2C)	C[6](C[6a]C[5a,6a]C[6a])(C[6]C[6]HH)2(CHHN)	C[6a](C[6a]C[5a,6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(C[6]C[6]2C){2|C<4>,4|C<3>,5|H<1>}	C[6](C[6a]C[5a,6a]C[6a])(C[6]C[6]HH)2(CHHN){1|N<3>,1|O<2>,3|C<3>,4|H<1>}	C[6a](C[6a]C[5a,6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	120.1150	0.000	2	120.1150	0.000	2	120.1150	0.000	2	121.5593	2.001	48	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:4:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6]C[6]2C)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(CCHH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6]C[6]2C){1|O<2>,2|C<4>,3|C<3>,5|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(CCHH){1|C<4>,3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H){1|O<2>,2|C<3>,3|C<4>}	120.5310	0.000	1	120.5310	0.000	1	121.5281	1.786	23	121.5593	2.001	48	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:4:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C){1|C<4>,3|C<3>,5|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|O<2>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	121.2395	1.043	4	121.2395	1.088	4	121.5281	1.786	23	121.5593	2.001	48	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:4:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]CH)(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]CH)(CH3){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	121.3955	1.029	2	121.3955	1.059	2	121.5281	1.786	23	121.5593	2.001	48	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:4:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(CCHH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C){1|C<3>,2|C<4>,6|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(CCHH){1|C<4>,2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	121.5090	2.862	2	121.5090	8.193	2	121.5281	1.786	23	121.5593	2.001	48	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:4:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C){1|N<2>,2|C<4>,6|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(CH3){1|C<4>,2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]N[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	122.0600	0.826	2	122.0600	0.682	2	121.5281	1.786	23	121.5593	2.001	48	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:4:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(CHHN)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C){1|C<4>,2|C<3>,6|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(CHHN){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|H<1>,3|C<4>}	121.1955	2.768	2	121.1955	7.664	2	121.5281	1.786	23	121.5593	2.001	48	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:4:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(CHHO)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C){1|C<4>,2|C<3>,6|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(CHHO){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	121.2220	0.286	2	121.2220	0.082	2	121.5281	1.786	23	121.5593	2.001	48	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:4:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(CHHO)	C[6a](C[6a]C[6a]C[6])(C[6a]N[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C){1|N<2>,2|C<4>,6|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(CHHO){1|C<4>,2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]N[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	122.2047	1.430	6	122.2047	2.045	6	121.5281	1.786	23	121.5593	2.001	48	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:4:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C)	C[6](C[6a]C[6a]2)(C[6]N[6]HH)2(CFeTeH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C){1|C<3>,2|N<4>,6|H<1>}	C[6](C[6a]C[6a]2)(C[6]N[6]HH)2(CFeTeH){1|C<5>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	120.8325	1.439	2	120.8325	2.071	2	121.5281	1.786	23	121.5593	2.001	48	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:4:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:C[6]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]3)	C[6](C[6a]C[6a]2)(C[6]C[6]2H)(C[6]C[6]HH)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]3){1|O<2>,2|C<4>,3|C<3>,6|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]2H)(C[6]C[6]HH)2{1|C<4>,2|C<3>,2|O<1>,3|O<2>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	121.0640	0.000	1	121.0640	0.000	1	121.3886	0.444	17	121.5593	2.001	48	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:4:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:C[6]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]3)	C[6](C[6a]C[6a]2)(C[6]C[6]2H)(C[6]C[6]HH)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]3){2|C<4>,3|C<3>,7|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]2H)(C[6]C[6]HH)2{1|C<4>,2|C<3>,2|O<1>,2|O<2>,6|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	121.4089	0.683	16	121.4089	0.466	16	121.3886	0.444	17	121.5593	2.001	48	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:4:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:S-4:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(C[6]C[6]2S)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(SC[6a]OO)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(F)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(C[6]C[6]2S){1|C<3>,1|F<1>,2|C<4>,5|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(SC[6a]OO){1|C<4>,1|F<1>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(F){1|C<3>,1|S<4>,2|C<4>,2|H<1>}	125.7110	0.000	1	125.0343	0.343	3	125.0343	0.343	3	121.5593	2.001	48	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:4:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:S-4:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(C[6]C[6]2S)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(SC[6a]OO)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(F)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(C[6]C[6]2S){1|C<3>,1|F<1>,2|C<4>,5|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(SC[6a]OO){1|F<1>,3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(F){1|C<3>,1|S<4>,2|C<4>,2|H<1>}	124.6960	0.000	2	125.0343	0.343	3	125.0343	0.343	3	121.5593	2.001	48	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:4:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:S-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(C[6]C[6]2S)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(SC[6a]OO)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]F)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(C[6]C[6]2S){1|C<3>,1|F<1>,2|C<4>,5|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(SC[6a]OO){1|C<4>,1|F<1>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]F)(H){1|C<3>,1|F<1>,1|H<1>,1|S<4>,2|C<4>}	119.4580	0.000	1	120.2540	0.475	3	120.2540	0.475	3	121.5593	2.001	48	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:4:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:S-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(C[6]C[6]2S)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(SC[6a]OO)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]F)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(C[6]C[6]2S){1|C<3>,1|F<1>,2|C<4>,5|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(SC[6a]OO){1|F<1>,3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]F)(H){1|C<3>,1|F<1>,1|H<1>,1|S<4>,2|C<4>}	120.6520	0.000	2	120.2540	0.475	3	120.2540	0.475	3	121.5593	2.001	48	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:4:	3:3:2:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:C[6]-4:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]3)	C[6](C[6a]C[6a]2)(C[6]C[6]2H)(C[6]C[6]HH)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]3){1|O<2>,2|C<4>,3|C<3>,6|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]2H)(C[6]C[6]HH)2{1|C<4>,2|C<3>,2|O<1>,3|O<2>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(OC){1|C<3>,2|H<1>,3|C<4>}	122.2340	0.000	1	122.2340	0.000	1	122.2340	0.000	1	122.2340	0.000	1	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	3:4:4:4:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:C-4:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6]C[6]2C)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(CCHH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6]C[6]2C){1|O<2>,2|C<4>,3|C<3>,5|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(CCHH){1|C<4>,3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]2)(C[6a]C[6a]H){1|O<2>,2|H<1>,3|C<3>,4|C<4>}	122.0650	0.000	1	122.0650	0.000	1	122.0650	0.000	1	122.0650	0.000	1	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:C[6a]-3:F-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2F)	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]O)(C[6a]C[6a]2)(F)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2F){1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]O)(C[6a]C[6a]2)(F){2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|F<1>,2|C<3>,2|H<1>}	120.2670	1.858	2	120.2670	3.453	2	120.2670	3.453	2	120.8292	3.753	241	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2H){3|H<1>,5|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]C[6])(C[6a]C[6a]2)(H){1|O<2>,2|H<1>,8|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	123.1770	0.000	1	123.1770	0.000	1	121.0176	3.781	27	120.8292	3.753	241	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6,6a]C[6a]2)(C[6]C[6a]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){2|H<1>,6|C<3>}	C[6](C[6]C[6,6a]C[6a]2)(C[6]C[6a]C[6])(C[6a]C[6a]2)(H){11|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	121.5020	1.768	2	121.1745	3.380	6	121.0176	3.781	27	120.8292	3.753	241	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6,6a]C[6a]2)(C[6]C[6a]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){2|H<1>,6|C<3>}	C[6](C[6]C[6,6a]C[6a]2)(C[6]C[6a]C[6])(C[6a]C[6a]2)(H){11|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	121.0108	2.118	4	121.1745	3.380	6	121.0176	3.781	27	120.8292	3.753	241	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){3|H<1>,5|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]C[6])(C[6a]C[6a]2)(H){3|H<1>,8|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	120.4305	3.313	2	121.0766	6.107	8	121.0176	3.781	27	120.8292	3.753	241	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){3|H<1>,5|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]C[6])(C[6a]C[6a]2)(H){3|H<1>,8|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	121.1330	2.031	2	121.0766	6.107	8	121.0176	3.781	27	120.8292	3.753	241	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){3|H<1>,5|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]C[6])(C[6a]C[6a]2)(H){3|H<1>,8|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	121.2095	3.242	2	121.0766	6.107	8	121.0176	3.781	27	120.8292	3.753	241	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){3|H<1>,5|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]C[6])(C[6a]C[6a]2)(H){3|H<1>,8|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	121.5335	3.980	2	121.0766	6.107	8	121.0176	3.781	27	120.8292	3.753	241	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){4|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]H)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	120.6345	1.424	4	120.6345	2.027	4	121.0176	3.781	27	120.8292	3.753	241	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]N[5,6]O)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]N[5,6]O)(C[6a]C[6a]2)(H){1|S<4>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.6377	0.697	4	120.6377	0.486	4	121.0176	3.781	27	120.8292	3.753	241	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]S)(C[6]C[5,6]N)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|N<3>,1|S<2>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]S)(C[6]C[5,6]N)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,1|S<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.9095	3.908	2	120.9095	15.274	2	121.0176	3.781	27	120.8292	3.753	241	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]O)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]O)(C[6a]C[6a]2)(H){2|H<1>,7|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.8650	3.125	2	120.8650	9.768	2	121.0176	3.781	27	120.8292	3.753	241	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[6])(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(C[6]C[6]2H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[6]C[6,6]CH)(C[6a]C[6a]2)(C[6]C[6]H)(H){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[6])(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	119.4070	0.000	1	119.4070	0.000	1	119.4070	0.000	1	120.8292	3.753	241	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:Br-1:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(C[6]C[6]2H)	C[6](C[6]C[6,6]HN)(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(C[6]C[6]2H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6](C[6]C[6,6]HN)(C[6a]C[6a]2)(C[6]C[6]C)(H){1|Br<1>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Br){1|C<4>,2|C<3>,3|H<1>}	122.1280	0.000	1	122.1280	0.000	1	122.1280	0.000	1	120.8292	3.753	241	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2H)	C[6](C[6]C[6,6]HN)(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6](C[6]C[6,6]HN)(C[6a]C[6a]2)(C[6]C[6]C)(H){1|Cl<1>,1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl){1|C<4>,2|C<3>,3|H<1>}	120.8390	0.000	1	120.8390	0.000	1	120.8390	0.000	1	120.8292	3.753	241	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[5,6a]H)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(C[6]C[6]2H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[6]C[6,6]CH)(C[6a]C[6a]2)(C[6]C[6]H)(H){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[5,6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.8890	0.000	1	120.8890	0.000	1	120.8108	3.816	209	120.8292	3.753	241	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(C[6]C[6]2H)	C[6](C[6]C[6,6]HN)(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(C[6]C[6]2H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6](C[6]C[6,6]HN)(C[6a]C[6a]2)(C[6]C[6]C)(H){1|Br<1>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	121.8100	0.000	1	121.8100	0.000	1	120.8108	3.816	209	120.8292	3.753	241	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[6]C[6]2H)	C[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]O[6]O)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[6]C[6]2H){1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]O[6]O)(H){1|H<1>,7|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	116.7600	0.000	1	116.7600	0.000	1	120.8108	3.816	209	120.8292	3.753	241	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]N[6]O)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[6]C[6]2H){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]N[6]O)(H){1|C<4>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	117.7740	0.000	1	117.4610	0.196	2	120.8108	3.816	209	120.8292	3.753	241	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]N[6]O)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[6]C[6]2H){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]N[6]O)(H){2|H<1>,7|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	117.1480	0.000	1	117.4610	0.196	2	120.8108	3.816	209	120.8292	3.753	241	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2H)	C[6](C[6]C[6,6]HN)(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6](C[6]C[6,6]HN)(C[6a]C[6a]2)(C[6]C[6]C)(H){1|Cl<1>,1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	122.1470	0.000	1	122.1470	0.000	1	120.8108	3.816	209	120.8292	3.753	241	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[3,5,6]HH)(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Cl)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|Cl<1>,1|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[3,5,6]HH)(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Cl)(H){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	119.2150	0.000	1	119.2150	0.000	1	120.8108	3.816	209	120.8292	3.753	241	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[3,5,6]HH)(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|Cl<1>,1|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[3,5,6]HH)(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	122.4120	0.000	1	122.4120	0.000	1	120.8108	3.816	209	120.8292	3.753	241	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[3,6]CH)(C[6a]C[6a]2)(C[6]N[6]O)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[6]C[3,6]CH)(C[6a]C[6a]2)(C[6]N[6]O)(H){1|C<4>,1|O<2>,1|S<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.3450	1.522	2	120.3450	2.316	2	120.8108	3.816	209	120.8292	3.753	241	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[3,6]HH)(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[3,6]HH)(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	121.1000	0.074	2	121.1000	0.005	2	120.8108	3.816	209	120.8292	3.753	241	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[3,6]HH)(C[6a]C[6a]2)(C[6]C[6]S)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,1|S<4>,2|C<3>,4|H<1>}	C[6](C[6]C[3,6]HH)(C[6a]C[6a]2)(C[6]C[6]S)(H){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	120.7435	5.444	2	120.7435	29.637	2	120.8108	3.816	209	120.8292	3.753	241	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,3|H<1>,4|C<3>}	C[6](C[6]C[5,6]CH)(C[6a]C[6a]2)(C[6]C[6]C)(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	120.5635	1.001	2	120.5635	1.001	2	120.8108	3.816	209	120.8292	3.753	241	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[5,6]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[5,6]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|C<4>,4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	121.3005	0.993	2	121.3005	0.987	2	120.8108	3.816	209	120.8292	3.753	241	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]C[6]C)(H){2|H<1>,2|N<3>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	121.2060	3.271	2	121.2060	10.700	2	120.8108	3.816	209	120.8292	3.753	241	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,2|C<3>,5|H<1>}	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	121.4290	0.570	2	121.4290	0.325	2	120.8108	3.816	209	120.8292	3.753	241	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[5,6]HN)(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6](C[6]C[5,6]HN)(C[6a]C[6a]2)(C[6]C[6]C)(H){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	120.9885	3.335	2	121.0122	3.716	4	120.8108	3.816	209	120.8292	3.753	241	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[5,6]HN)(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HN)(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	121.0360	0.147	2	121.0122	3.716	4	120.8108	3.816	209	120.8292	3.753	241	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[5a,6]C[6a]H)(C[6a]C[6a]2)(C[6]O[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|O<2>,3|H<1>,4|C<3>}	C[6](C[6]C[5a,6]C[6a]H)(C[6a]C[6a]2)(C[6]O[6]C)(H){2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.8720	1.666	2	120.8720	2.775	2	120.8108	3.816	209	120.8292	3.753	241	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[5a,6]C[6a]H)(C[6a]C[6a]2)(C[6]O[6]O)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[6]C[5a,6]C[6a]H)(C[6a]C[6a]2)(C[6]O[6]O)(H){1|S<2>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.7890	3.018	2	120.5327	3.636	6	120.8108	3.816	209	120.8292	3.753	241	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[5a,6]C[6a]H)(C[6a]C[6a]2)(C[6]O[6]O)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[6]C[5a,6]C[6a]H)(C[6a]C[6a]2)(C[6]O[6]O)(H){2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.4045	1.720	4	120.5327	3.636	6	120.8108	3.816	209	120.8292	3.753	241	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[5a,6]HH)(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[5a,6]HH)(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	121.3485	4.161	2	121.3485	17.317	2	120.8108	3.816	209	120.8292	3.753	241	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[5a]O[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|O<2>,3|C<3>,4|H<1>}	C[6](C[6]C[5a]O[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|O<2>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.5040	0.008	2	120.5040	0.000	2	120.8108	3.816	209	120.8292	3.753	241	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){2|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6,6]CH)(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.8632	0.979	6	120.8632	0.959	6	120.8108	3.816	209	120.8292	3.753	241	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[6,6]CH)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.2735	0.356	2	120.2735	0.127	2	120.8108	3.816	209	120.8292	3.753	241	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6,6]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[6,6]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|C<4>,4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	121.1510	0.923	2	121.1510	0.853	2	120.8108	3.816	209	120.8292	3.753	241	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	121.0355	2.907	2	121.0620	6.288	4	120.8108	3.816	209	120.8292	3.753	241	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){4|C<3>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]C)(H){3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	121.0885	3.227	2	121.0620	6.288	4	120.8108	3.816	209	120.8292	3.753	241	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,2|C<3>,5|H<1>}	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]H)(H){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.7220	0.908	4	120.8505	0.546	6	120.8108	3.816	209	120.8292	3.753	241	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,2|C<3>,5|H<1>}	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]H)(H){2|N<3>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	121.1075	0.241	2	120.8505	0.546	6	120.8108	3.816	209	120.8292	3.753	241	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6,6]HN)(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6](C[6]C[6,6]HN)(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	121.2680	2.807	4	121.1702	5.930	6	120.8108	3.816	209	120.8292	3.753	241	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6,6]HN)(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HN)(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.9745	2.427	2	121.1702	5.930	6	120.8108	3.816	209	120.8292	3.753	241	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6,6a]CC)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){3|H<1>,5|C<3>}	C[6](C[6]C[6,6a]CC)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	120.9408	1.421	4	121.2042	1.937	6	120.8108	3.816	209	120.8292	3.753	241	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6,6a]CC)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){3|H<1>,5|C<3>}	C[6](C[6]C[6,6a]CC)(C[6a]C[6a]2)(C[6]C[6]H)(H){3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	121.7310	1.673	2	121.2042	1.937	6	120.8108	3.816	209	120.8292	3.753	241	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]C[6]H)(H){3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.8157	1.787	4	120.8157	3.194	4	120.8108	3.816	209	120.8292	3.753	241	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]O[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|O<2>,3|H<1>,4|C<3>}	C[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]O[6]C)(H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	121.1405	3.645	4	121.1405	13.284	4	120.8108	3.816	209	120.8292	3.753	241	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6,6a]CO)(C[6a]C[6a]2)(C[6]C[6]N)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|N<3>,1|O<2>,2|H<1>,4|C<3>}	C[6](C[6]C[6,6a]CO)(C[6a]C[6a]2)(C[6]C[6]N)(H){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	121.1305	3.047	2	121.1305	9.284	2	120.8108	3.816	209	120.8292	3.753	241	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]O[6]O)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Br)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|Br<1>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]O[6]O)(H){2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Br)(H){1|C<4>,2|C<3>,3|H<1>}	121.4310	0.000	1	121.4310	0.000	1	120.8108	3.816	209	120.8292	3.753	241	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]O[6]O)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|Br<1>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]O[6]O)(H){2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.1220	0.000	1	120.1220	0.000	1	120.8108	3.816	209	120.8292	3.753	241	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6,6a]HN)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|N<3>,3|C<3>,4|H<1>}	C[6](C[6]C[6,6a]HN)(C[6a]C[6a]2)(C[6]C[6]H)(H){3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	121.1675	0.226	2	121.1675	0.051	2	120.8108	3.816	209	120.8292	3.753	241	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6,6a]HN)(C[6a]C[6a]2)(C[6]N[6]O)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|O<1>,2|C<3>,2|N<3>,3|H<1>}	C[6](C[6]C[6,6a]HN)(C[6a]C[6a]2)(C[6]N[6]O)(H){1|S<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.1797	1.384	4	120.1797	1.915	4	120.8108	3.816	209	120.8292	3.753	241	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6,6a]HO)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|O<2>,3|C<3>,4|H<1>}	C[6](C[6]C[6,6a]HO)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	121.3277	1.979	4	121.4194	2.870	8	120.8108	3.816	209	120.8292	3.753	241	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6,6a]HO)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|O<2>,3|C<3>,4|H<1>}	C[6](C[6]C[6,6a]HO)(C[6a]C[6a]2)(C[6]C[6]H)(H){3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	121.2215	1.761	2	121.4194	2.870	8	120.8108	3.816	209	120.8292	3.753	241	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6,6a]HO)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|O<2>,3|C<3>,4|H<1>}	C[6](C[6]C[6,6a]HO)(C[6a]C[6a]2)(C[6]C[6]H)(H){3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	121.8005	2.198	2	121.4194	2.870	8	120.8108	3.816	209	120.8292	3.753	241	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6,6a]HO)(C[6a]C[6a]2)(C[6]N[6]O)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]HO)(C[6a]C[6a]2)(C[6]N[6]O)(H){1|S<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.7120	1.752	4	120.7120	3.069	4	120.8108	3.816	209	120.8292	3.753	241	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6,6a]N[5a]H)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|N<3>,3|C<3>,4|H<1>}	C[6](C[6]C[6,6a]N[5a]H)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|N<3>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	121.3620	1.725	2	121.3620	2.977	2	120.8108	3.816	209	120.8292	3.753	241	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]C)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,3|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]C)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	121.1185	2.162	2	120.9437	2.197	4	120.8108	3.816	209	120.8292	3.753	241	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]C)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,3|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]C)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.7690	1.341	2	120.9437	2.197	4	120.8108	3.816	209	120.8292	3.753	241	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){2|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]C)(H){2|H<1>,3|C<2>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.8870	0.994	2	120.8870	0.988	2	120.8108	3.816	209	120.8292	3.753	241	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Br)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|Br<1>,3|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Br)(H){1|C<4>,2|C<3>,3|H<1>}	119.4790	0.000	1	119.4790	0.000	1	120.8108	3.816	209	120.8292	3.753	241	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|Br<1>,3|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	121.6900	0.000	1	120.6105	6.495	31	120.8108	3.816	209	120.8292	3.753	241	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|C<4>,1|O<2>,1|P<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.7320	0.157	2	120.6105	6.495	31	120.8108	3.816	209	120.8292	3.753	241	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|O<2>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.9575	0.271	2	120.6105	6.495	31	120.8108	3.816	209	120.8292	3.753	241	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){4|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.3623	3.222	12	120.6105	6.495	31	120.8108	3.816	209	120.8292	3.753	241	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){4|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.8219	2.667	10	120.6105	6.495	31	120.8108	3.816	209	120.8292	3.753	241	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){4|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.3222	2.126	4	120.6105	6.495	31	120.8108	3.816	209	120.8292	3.753	241	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]O)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]O)(H){1|C<4>,5|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.9760	2.794	2	120.9760	7.809	2	120.8108	3.816	209	120.8292	3.753	241	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]N[6]O)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]N[6]O)(H){1|S<4>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	120.4170	2.993	4	120.4497	5.644	6	120.8108	3.816	209	120.8292	3.753	241	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]N[6]O)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]N[6]O)(H){1|S<4>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.5150	1.157	2	120.4497	5.644	6	120.8108	3.816	209	120.8292	3.753	241	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]O[6]O)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]O[6]O)(H){1|C<4>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	120.6265	0.077	2	121.0650	8.057	20	120.8108	3.816	209	120.8292	3.753	241	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]O[6]O)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]O[6]O)(H){3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	121.2125	3.100	16	121.0650	8.057	20	120.8108	3.816	209	120.8292	3.753	241	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]O[6]O)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]O[6]O)(H){3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.3235	2.664	2	121.0650	8.057	20	120.8108	3.816	209	120.8292	3.753	241	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]N)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|N<2>,3|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]N)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.5435	0.128	2	120.7395	2.934	4	120.8108	3.816	209	120.8292	3.753	241	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]N)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|N<3>,3|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]N)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.9355	2.938	2	120.7395	2.934	4	120.8108	3.816	209	120.8292	3.753	241	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(C[6]C[6]O)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(C[6]C[6]O)(H){1|C<4>,1|N<2>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.8188	1.741	19	120.8115	2.432	27	120.8108	3.816	209	120.8292	3.753	241	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(C[6]C[6]O)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(C[6]C[6]O)(H){1|C<4>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.6945	1.563	4	120.8115	2.432	27	120.8108	3.816	209	120.8292	3.753	241	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(C[6]C[6]O)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(C[6]C[6]O)(H){1|C<4>,4|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.8937	0.652	4	120.8115	2.432	27	120.8108	3.816	209	120.8292	3.753	241	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]O[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|O<2>,3|C<3>,4|H<1>}	C[6](C[6]C[6a]O[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H){2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.3965	1.534	2	120.3965	2.352	2	120.8108	3.816	209	120.8292	3.753	241	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]O[6]H)(C[6a]C[6a]2)(C[6]C[6]O)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6]C[6a]O[6]H)(C[6a]C[6a]2)(C[6]C[6]O)(H){4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.6090	0.093	2	120.6090	0.009	2	120.8108	3.816	209	120.8292	3.753	241	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]P[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|P<4>,3|C<3>,4|H<1>}	C[6](C[6]C[6a]P[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|O<1>,2|H<1>,2|O<2>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.7305	1.740	2	120.7305	3.028	2	120.8108	3.816	209	120.8292	3.753	241	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]N[5,6]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]O)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|N<3>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[6]N[5,6]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]O)(H){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	121.0705	0.757	2	121.0705	0.574	2	120.8108	3.816	209	120.8292	3.753	241	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]N[5a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|N<3>,3|C<3>,4|H<1>}	C[6](C[6]N[5a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|Si<4>,1|N<3>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.7970	0.274	2	120.7970	0.075	2	120.8108	3.816	209	120.8292	3.753	241	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2H){3|H<1>,5|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]C[6])(C[6a]C[6a]2)(H){1|O<2>,2|H<1>,8|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|C<4>,2|C<3>,3|H<1>}	119.1540	0.000	1	119.1540	0.000	1	119.1540	0.000	1	119.1540	0.000	1	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[6]C[6]2H)	C[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]O[6]O)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(COO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[6]C[6]2H){1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]O[6]O)(H){1|H<1>,7|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(COO){1|C<4>,2|C<3>,3|H<1>}	124.6130	0.000	1	124.6130	0.000	1	124.6567	0.012	3	124.6567	0.012	3	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]N[6]O)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(COO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[6]C[6]2H){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]N[6]O)(H){1|C<4>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(COO){1|C<4>,2|C<3>,3|H<1>}	124.5760	0.000	1	124.6785	0.021	2	124.6567	0.012	3	124.6567	0.012	3	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]N[6]O)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(COO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[6]C[6]2H){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]N[6]O)(H){2|H<1>,7|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(COO){1|C<4>,2|C<3>,3|H<1>}	124.7810	0.000	1	124.6785	0.021	2	124.6567	0.012	3	124.6567	0.012	3	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:C[6a]-3:S-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2S)	C[6](C[6]C[6a]C[6]H)(C[6]N[5,6]O)(C[6a]C[6a]2)(SC)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2S){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]N[5,6]O)(C[6a]C[6a]2)(SC){1|C<4>,1|N<3>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|S<2>,2|C<3>,2|H<1>}	120.6540	1.079	2	120.6540	1.164	2	120.6540	1.164	2	120.7996	5.579	10	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2N)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]N[6]O)(NC)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2N){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]N[6]O)(NC){4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	120.4850	2.513	2	120.4850	6.315	2	120.4850	6.315	2	120.7996	5.579	10	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O)	C[6](C[6]C[6]BrH)(C[6a]C[6a]2)(C[6]C[6]N)(OC)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O){1|Br<1>,1|C<3>,1|N<2>,2|C<4>,3|H<1>}	C[6](C[6]C[6]BrH)(C[6a]C[6a]2)(C[6]C[6]N)(OC){1|C<4>,2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.9530	2.910	6	120.9530	8.470	6	120.9530	8.470	6	120.7996	5.579	10	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]3)	C[6](C[6]C[6]O[6]H)(C[6a]C[6a]2)(C[6]C[6]O)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]3){1|O<2>,2|C<3>,2|C<4>,2|O<1>,3|H<1>}	C[6](C[6]C[6]O[6]H)(C[6a]C[6a]2)(C[6]C[6]O)2{1|C<4>,4|C<3>,7|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	121.6800	1.974	2	121.6800	3.898	2	121.6800	3.898	2	120.9272	3.544	10	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2N)	C[6](C[6]C[6,6a]CC)(C[6a]C[6a]2)(C[6]O[6]O)(NCH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2N){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6a]CC)(C[6a]C[6a]2)(C[6]O[6]O)(NCH){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	120.7150	2.452	4	120.7150	6.011	4	120.7390	3.798	8	120.9272	3.544	10	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2N)	C[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]N[6]O)(NCH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2N){1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]N[6]O)(NCH){1|S<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	120.7650	0.209	2	120.7650	0.044	2	120.7390	3.798	8	120.9272	3.544	10	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2N)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]N[6]O)(NCH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2N){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]N[6]O)(NCH){1|C<4>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	120.7610	2.916	2	120.7610	8.504	2	120.7390	3.798	8	120.9272	3.544	10	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2C)	C[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]O[6]O)(CCHH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2C){1|O<1>,2|C<3>,2|O<2>,3|H<1>}	C[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]O[6]O)(CCHH){1|H<1>,1|O<2>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|O<2>}	123.3130	0.000	1	123.3130	0.000	1	121.2818	4.305	25	121.2818	4.305	25	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C)	C[6](C[6]C[5a,6]CH)(C[6a]C[6a]2)(C[6]O[6]O)(CCHH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C){1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[6]C[5a,6]CH)(C[6a]C[6a]2)(C[6]O[6]O)(CCHH){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,2|C<3>,2|C<4>}	121.0000	3.103	2	121.0485	10.339	6	121.2818	4.305	25	121.2818	4.305	25	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C)	C[6](C[6]C[5a,6]CH)(C[6a]C[6a]2)(C[6]O[6]O)(CCHH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C){1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[6]C[5a,6]CH)(C[6a]C[6a]2)(C[6]O[6]O)(CCHH){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	121.0727	3.744	4	121.0485	10.339	6	121.2818	4.305	25	121.2818	4.305	25	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C)	C[6](C[6]C[6,6a]CC)(C[6a]C[6a]2)(C[6]C[6]H)(CHHO)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C){2|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6,6a]CC)(C[6a]C[6a]2)(C[6]C[6]H)(CHHO){1|Si<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	121.6755	0.648	4	121.6755	0.420	4	121.2818	4.305	25	121.2818	4.305	25	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C)	C[6](C[6]C[6,6a]C[6a]2)(C[6a]C[6a]2)(C[6]N[6]H)(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C){1|N<2>,3|H<1>,4|C<3>}	C[6](C[6]C[6,6a]C[6a]2)(C[6a]C[6a]2)(C[6]N[6]H)(CH3){2|H<1>,8|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	121.2400	0.154	4	121.2400	0.024	4	121.2818	4.305	25	121.2818	4.305	25	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C)	C[6](C[6]C[6,6a]HS)(C[6a]C[6a]2)(C[6]N[6]S)(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C){1|N<2>,2|C<3>,2|S<2>,3|H<1>}	C[6](C[6]C[6,6a]HS)(C[6a]C[6a]2)(C[6]N[6]S)(CH3){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	120.9035	0.852	4	120.9035	0.727	4	121.2818	4.305	25	121.2818	4.305	25	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(CH3){5|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	120.9895	2.927	2	120.9895	8.566	2	121.2818	4.305	25	121.2818	4.305	25	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]O[6]O)(CCHH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C){1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]O[6]O)(CCHH){3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	121.2968	3.353	4	121.2968	11.245	4	121.2818	4.305	25	121.2818	4.305	25	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:3:3:4:	3:3:2:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6]-3:C-4:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2C)	C[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]O[6]O)(CCHH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2C){1|O<1>,2|C<3>,2|O<2>,3|H<1>}	C[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]O[6]O)(CCHH){1|H<1>,1|O<2>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(OC){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	118.9410	0.000	1	118.9410	0.000	1	118.9410	0.000	1	118.9410	0.000	1	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:3:4:1:	3:2:3:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:N[6a]-2:C-3:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]N[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a])(CC[6]O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(C[6]C[6]2H){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]N[6]HH)(H){1|N<2>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a])(CC[6]O){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	125.2570	0.000	1	125.2570	0.000	1	125.2570	0.000	1	125.2570	0.000	1	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:3:4:1:	3:2:4:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:N[6a]-2:C-4:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]N[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a])(CC[6]HH)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(C[6]C[6]2H){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]N[6]HH)(H){1|N<2>,2|C<3>,2|H<1>,3|C<4>}	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a])(CC[6]HH){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	122.8330	0.000	1	122.8330	0.000	1	122.8330	0.000	1	122.8330	0.000	1	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(C[6]C[6]2H)	C[6](C[6]C[6,6]HN)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[6])(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(C[6]C[6]2H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[6]C[6,6]HN)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[6])(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	120.0580	2.485	2	120.0580	6.174	2	119.8125	3.669	4	120.9784	2.906	292	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(C[6]C[6]2H)	C[6](C[6]C[6,6a]HN)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[6])(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(C[6]C[6]2H){1|N<3>,1|O<2>,3|C<3>,4|H<1>}	C[6](C[6]C[6,6a]HN)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[6])(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	118.0520	0.000	1	118.0520	0.000	1	119.8125	3.669	4	120.9784	2.906	292	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(C[6]C[6]2H)	C[6](C[6]N[5a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HO)(H)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[6])(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(C[6]C[6]2H){1|C<4>,1|N<3>,2|C<3>,2|O<2>,3|H<1>}	C[6](C[6]N[5a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HO)(H){1|N<3>,1|O<2>,4|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[6])(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	121.0820	0.000	1	121.0820	0.000	1	119.8125	3.669	4	120.9784	2.906	292	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]O[6]HH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(C[6]C[6]2H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]O[6]HH)(H){1|C<4>,4|C<3>,4|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])(H){2|C<4>,3|C<3>,3|H<1>}	119.7235	0.152	2	119.7235	0.023	2	119.7235	0.023	2	120.9784	2.906	292	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:Br-1:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Br)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(C[6]C[6]2H){1|C<4>,3|C<3>,5|H<1>}	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|Br<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Br){1|C<3>,2|C<4>,3|H<1>}	123.8030	0.000	1	123.8030	0.000	1	123.8030	0.000	1	120.9784	2.906	292	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2H)	C[6](C[6]C[5,6]HN)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[5,6]HN)(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|Cl<1>,1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl){1|C<3>,2|C<4>,3|H<1>}	122.1420	0.000	1	122.1420	0.000	1	122.3765	0.110	2	120.9784	2.906	292	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2H)	C[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]O[6]HO)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2H){1|C<4>,2|C<3>,2|O<2>,4|H<1>}	C[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]O[6]HO)(H){1|Cl<1>,1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl){1|C<3>,2|C<4>,3|H<1>}	122.6110	0.000	1	122.6110	0.000	1	122.3765	0.110	2	120.9784	2.906	292	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(C[6]C[6]2H)	C[6](C[6]C[6,6]HN)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[5,6a]H)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(C[6]C[6]2H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[6]C[6,6]HN)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[5,6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	119.9875	2.932	2	119.9875	8.599	2	120.9839	2.887	283	120.9784	2.906	292	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(C[6]C[6]2H)	C[6](C[6]C[6,6a]HN)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[5,6a]H)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(C[6]C[6]2H){1|N<3>,1|O<2>,3|C<3>,4|H<1>}	C[6](C[6]C[6,6a]HN)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[5,6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	123.0490	0.000	1	123.0490	0.000	1	120.9839	2.887	283	120.9784	2.906	292	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(C[6]C[6]2H)	C[6](C[6]N[5a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HO)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[5,6a]H)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(C[6]C[6]2H){1|C<4>,1|N<3>,2|C<3>,2|O<2>,3|H<1>}	C[6](C[6]N[5a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HO)(H){1|N<3>,1|O<2>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[5,6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	119.3710	0.000	1	119.3710	0.000	1	120.9839	2.887	283	120.9784	2.906	292	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]O[6]HH)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C[6])(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(C[6]C[6]2H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]O[6]HH)(H){1|C<4>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C[6])(H){2|C<3>,2|C<4>,2|H<1>}	121.9650	0.509	2	121.9650	0.259	2	120.9839	2.887	283	120.9784	2.906	292	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(C[6]C[6]2H){1|C<4>,3|C<3>,5|H<1>}	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|Br<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	120.6430	0.000	1	120.6430	0.000	1	120.9839	2.887	283	120.9784	2.906	292	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[6]C[6]2H)	C[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[6]C[6]2H){2|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H){1|C<3>,2|H<1>,3|C<4>}	118.8850	0.000	1	118.8850	0.000	1	120.9839	2.887	283	120.9784	2.906	292	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[6]C[6]2H)	C[6](C[6]C[6]FeH)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[6]C[6]2H){1|Fe<7>,1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6]C[6]FeH)(C[6a]C[6a]2)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	119.9690	1.264	2	119.9690	1.598	2	120.9839	2.887	283	120.9784	2.906	292	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2H)	C[6](C[6]C[5,6]HN)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[5,6]HN)(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|Cl<1>,1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	120.7590	0.000	1	120.7590	0.000	1	120.9839	2.887	283	120.9784	2.906	292	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2H)	C[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]O[6]HO)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2H){1|C<4>,2|C<3>,2|O<2>,4|H<1>}	C[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]O[6]HO)(H){1|Cl<1>,1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	121.1830	0.000	1	121.1830	0.000	1	120.9839	2.887	283	120.9784	2.906	292	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[6]C[6]2H)	C[6](C[6]C[5,6]HN)(C[6a]C[6a]2)(C[6]C[6]HN)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[6]C[6]2H){1|C<3>,2|C<4>,2|N<3>,4|H<1>}	C[6](C[6]C[5,6]HN)(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|N<3>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	118.4433	0.014	3	118.4433	0.000	3	120.9839	2.887	283	120.9784	2.906	292	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[6]C[6]2H)	C[6](C[6]C[6,6a]HO)(C[6a]C[6a]2)(C[6]O[6]FF)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[6]C[6]2H){2|C<3>,2|F<1>,2|O<2>,3|H<1>}	C[6](C[6]C[6,6a]HO)(C[6a]C[6a]2)(C[6]O[6]FF)(H){1|H<1>,1|N<3>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	122.1590	0.000	1	122.1590	0.000	1	120.9839	2.887	283	120.9784	2.906	292	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]O[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2H){1|C<3>,1|C<4>,2|O<2>,5|H<1>}	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]O[6]HH)(H){1|C<4>,1|H<1>,2|O<2>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	124.6240	0.000	1	124.6240	0.000	1	120.9839	2.887	283	120.9784	2.906	292	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]O[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2H){1|O<2>,2|C<3>,6|H<1>}	C[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]O[6]HH)(H){1|H<1>,1|O<2>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	124.0485	0.084	2	124.0485	0.007	2	120.9839	2.887	283	120.9784	2.906	292	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2H){2|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,4|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	122.8835	0.841	2	122.8835	0.707	2	120.9839	2.887	283	120.9784	2.906	292	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]N[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(C[6]C[6]2H){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]N[6]HH)(H){1|N<2>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|O<2>,2|C<4>}	117.9480	0.000	1	119.0585	2.466	2	120.9839	2.887	283	120.9784	2.906	292	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]N[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(C[6]C[6]2H){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]N[6]HH)(H){1|N<2>,2|C<3>,2|H<1>,3|C<4>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|O<2>,3|C<4>}	120.1690	0.000	1	119.0585	2.466	2	120.9839	2.887	283	120.9784	2.906	292	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[3x6]HH)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<3>,2|C<4>,6|H<1>}	C[6](C[6]C[3x6]HH)(C[6a]C[6a]2)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.0560	2.241	4	121.0560	5.022	4	120.9839	2.887	283	120.9784	2.906	292	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6a]C[6a]2)(C[6]C[6]HN)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[5,6]CH)(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.6095	1.273	2	120.6095	1.622	2	120.9839	2.887	283	120.9784	2.906	292	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6a]C[6a]2)(C[6]C[6]HS)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<3>,1|S<4>,3|C<4>,4|H<1>}	C[6](C[6]C[5,6]CH)(C[6a]C[6a]2)(C[6]C[6]HS)(H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.6760	0.535	2	120.6760	0.286	2	120.9839	2.887	283	120.9784	2.906	292	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[5,6]CN)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,1|N<2>,3|C<3>,4|H<1>}	C[6](C[6]C[5,6]CN)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<2>,2|H<1>,2|S<2>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	121.7035	2.398	2	121.7035	5.749	2	120.9839	2.887	283	120.9784	2.906	292	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[5,6]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<2>,1|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[5,6]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|N<3>,2|C<2>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	120.9265	0.975	2	120.9265	0.951	2	120.9839	2.887	283	120.9784	2.906	292	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[5,6]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,3|C<3>,5|H<1>}	C[6](C[6]C[5,6]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){3|H<1>,7|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.8997	1.724	6	120.9938	2.169	8	120.9839	2.887	283	120.9784	2.906	292	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[5,6]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){2|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[5,6]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,4|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.2760	0.334	2	120.9938	2.169	8	120.9839	2.887	283	120.9784	2.906	292	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,3|C<3>,5|H<1>}	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	120.9615	2.423	2	121.0308	1.564	6	120.9839	2.887	283	120.9784	2.906	292	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,3|C<3>,5|H<1>}	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.6405	1.009	2	121.0308	1.564	6	120.9839	2.887	283	120.9784	2.906	292	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,3|C<3>,5|H<1>}	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|N<3>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	121.4905	0.439	2	121.0308	1.564	6	120.9839	2.887	283	120.9784	2.906	292	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]C[6]CN)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]C[6]CN)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.1165	2.241	2	121.1165	5.021	2	120.9839	2.887	283	120.9784	2.906	292	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<3>,2|C<4>,6|H<1>}	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	121.5365	1.982	2	121.1674	4.261	10	120.9839	2.887	283	120.9784	2.906	292	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<3>,2|C<4>,6|H<1>}	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<3>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.8875	1.172	2	121.1674	4.261	10	120.9839	2.887	283	120.9784	2.906	292	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<3>,2|C<4>,6|H<1>}	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH)(H){2|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	121.3032	1.615	4	121.1674	4.261	10	120.9839	2.887	283	120.9784	2.906	292	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){3|C<3>,6|H<1>}	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH)(H){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.8065	4.946	2	121.1674	4.261	10	120.9839	2.887	283	120.9784	2.906	292	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]C[6]HN)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|O<1>,2|H<1>,2|N<3>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.5450	0.693	2	120.5450	0.480	2	120.9839	2.887	283	120.9784	2.906	292	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[5,6]HN)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[5,6]HN)(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.9188	0.861	4	120.8840	1.427	8	120.9839	2.887	283	120.9784	2.906	292	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[5,6]HN)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[5,6]HN)(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.8345	2.142	2	120.8840	1.427	8	120.9839	2.887	283	120.9784	2.906	292	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[5,6]HN)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[5,6]HN)(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	120.8640	1.780	2	120.8840	1.427	8	120.9839	2.887	283	120.9784	2.906	292	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[5,6]HN)(C[6a]C[6a]2)(C[6]C[6]HN)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<3>,2|C<4>,2|N<3>,4|H<1>}	C[6](C[6]C[5,6]HN)(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.6082	1.802	4	120.6082	3.249	4	120.9839	2.887	283	120.9784	2.906	292	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[5,6]HO)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[6]C[5,6]HO)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.3452	1.253	6	121.2354	1.813	8	120.9839	2.887	283	120.9784	2.906	292	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[5,6]HO)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C[6](C[6]C[5,6]HO)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|P<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.9060	2.134	2	121.2354	1.813	8	120.9839	2.887	283	120.9784	2.906	292	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[5]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HN)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Br)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|Br<1>,1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[5]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|N<2>,1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Br)(H){1|C<3>,2|C<4>,3|H<1>}	122.2970	0.000	1	122.2970	0.000	1	120.9839	2.887	283	120.9784	2.906	292	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[5]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HN)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|Br<1>,1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[5]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|N<2>,1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	119.2450	0.000	1	119.2450	0.000	1	120.9839	2.887	283	120.9784	2.906	292	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[5a,6]CH)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){4|H<1>,5|C<3>}	C[6](C[6]C[5a,6]CH)(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.9375	0.994	4	120.9375	0.987	4	120.9839	2.887	283	120.9784	2.906	292	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[5a,6]CH)(C[6a]C[6a]2)(C[6]C[6]HN)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[6](C[6]C[5a,6]CH)(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.9690	4.531	2	121.0105	21.051	4	120.9839	2.887	283	120.9784	2.906	292	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[5a,6]CH)(C[6a]C[6a]2)(C[6]C[6]HN)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[6](C[6]C[5a,6]CH)(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|N<3>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.0520	6.528	2	121.0105	21.051	4	120.9839	2.887	283	120.9784	2.906	292	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[5a,6]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]CC)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<2>,1|C<4>,3|H<1>,4|C<3>}	C[6](C[6]C[5a,6]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]CC)(H){2|O<2>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.8305	1.968	2	120.8305	3.873	2	120.9839	2.887	283	120.9784	2.906	292	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[5a,6]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){2|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[5a,6]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|N<3>,2|C<2>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.9530	0.308	2	120.9530	0.095	2	120.9839	2.887	283	120.9784	2.906	292	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[5a,6]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){4|C<3>,5|H<1>}	C[6](C[6]C[5a,6]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<2>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.7070	0.964	2	120.7548	0.784	4	120.9839	2.887	283	120.9784	2.906	292	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[5a,6]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){4|C<3>,5|H<1>}	C[6](C[6]C[5a,6]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<2>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	120.8025	1.189	2	120.7548	0.784	4	120.9839	2.887	283	120.9784	2.906	292	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[5a,6]HH)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,3|C<3>,5|H<1>}	C[6](C[6]C[5a,6]HH)(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|N<3>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.8242	1.676	4	120.8053	2.178	6	120.9839	2.887	283	120.9784	2.906	292	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[5a,6]HH)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,3|C<3>,5|H<1>}	C[6](C[6]C[5a,6]HH)(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	120.7675	1.569	2	120.8053	2.178	6	120.9839	2.887	283	120.9784	2.906	292	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[5a,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){3|C<3>,6|H<1>}	C[6](C[6]C[5a,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	121.3880	3.445	2	121.3880	11.868	2	120.9839	2.887	283	120.9784	2.906	292	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[5a,6]HH)(C[6a]C[6a]2)(C[6]C[6]HN)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[6](C[6]C[5a,6]HH)(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.3745	1.777	2	120.3745	3.158	2	120.9839	2.887	283	120.9784	2.906	292	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[5a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HN)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[5a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HN)(H){2|C<4>,2|O<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.7330	2.387	2	120.7330	5.699	2	120.9839	2.887	283	120.9784	2.906	292	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6a]C[6a]2)(C[6]C[6]HN)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<3>,1|N<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]CH)(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.6070	1.539	2	120.7740	2.737	4	120.9839	2.887	283	120.9784	2.906	292	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6a]C[6a]2)(C[6]C[6]HN)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]CH)(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.9410	2.394	2	120.7740	2.737	4	120.9839	2.887	283	120.9784	2.906	292	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]CC)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<2>,1|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]CC)(H){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,2|C<4>,2|H<1>}	120.6460	2.027	2	120.6527	3.774	4	120.9839	2.887	283	120.9784	2.906	292	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]CC)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,2|C<2>,2|C<3>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]CC)(H){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,2|C<4>,2|H<1>}	120.6595	2.686	2	120.6527	3.774	4	120.9839	2.887	283	120.9784	2.906	292	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,3|C<3>,5|H<1>}	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	121.4180	4.113	2	121.1403	3.637	6	120.9839	2.887	283	120.9784	2.906	292	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){2|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.0015	0.589	4	121.1403	3.637	6	120.9839	2.887	283	120.9784	2.906	292	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,2|C<3>,6|H<1>}	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>,2|O<2>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.2995	3.173	2	121.2625	3.210	14	120.9839	2.887	283	120.9784	2.906	292	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,2|C<3>,6|H<1>}	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	121.6372	2.020	4	121.2625	3.210	14	120.9839	2.887	283	120.9784	2.906	292	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,2|C<3>,6|H<1>}	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.9520	2.287	2	121.2625	3.210	14	120.9839	2.887	283	120.9784	2.906	292	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,2|C<3>,6|H<1>}	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<3>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.9385	0.773	2	121.2625	3.210	14	120.9839	2.887	283	120.9784	2.906	292	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){3|C<3>,6|H<1>}	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	121.3650	1.687	2	121.2625	3.210	14	120.9839	2.887	283	120.9784	2.906	292	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){3|C<3>,6|H<1>}	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.0080	3.103	2	121.2625	3.210	14	120.9839	2.887	283	120.9784	2.906	292	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]HN)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|C<4>,3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	121.9445	1.730	2	121.2133	2.617	6	120.9839	2.887	283	120.9784	2.906	292	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]HN)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|C<4>,3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.2415	2.000	2	121.2133	2.617	6	120.9839	2.887	283	120.9784	2.906	292	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]HN)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]HN)(H){2|C<3>,2|C<4>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.4540	1.966	2	121.2133	2.617	6	120.9839	2.887	283	120.9784	2.906	292	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]N[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]N[6]HH)(H){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.1750	0.587	4	121.1750	0.344	4	120.9839	2.887	283	120.9784	2.906	292	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]O[6]CH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|O<2>,3|C<3>,5|H<1>}	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]O[6]CH)(H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.4565	1.213	2	120.4565	1.471	2	120.9839	2.887	283	120.9784	2.906	292	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6,6]HN)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<3>,1|N<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]HN)(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	120.8005	2.299	2	120.8615	2.540	8	120.9839	2.887	283	120.9784	2.906	292	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6,6]HN)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<3>,1|N<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]HN)(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|N<3>,3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	120.9022	1.655	4	120.8615	2.540	8	120.9839	2.887	283	120.9784	2.906	292	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6,6]HN)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]HN)(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.8410	2.065	2	120.8615	2.540	8	120.9839	2.887	283	120.9784	2.906	292	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6,6]HN)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C[6](C[6]C[6,6]HN)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|S<2>,2|C<3>,3|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.6325	2.641	2	120.6848	3.055	4	120.9839	2.887	283	120.9784	2.906	292	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6,6]HN)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[6](C[6]C[6,6]HN)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.7370	1.476	2	120.6848	3.055	4	120.9839	2.887	283	120.9784	2.906	292	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6,6a]CC)(C[6a]C[6a]2)(C[6]N[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|N<3>,2|C<2>,2|C<3>,4|H<1>}	C[6](C[6]C[6,6a]CC)(C[6a]C[6a]2)(C[6]N[6]HH)(H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.6393	2.289	4	120.6393	5.241	4	120.9839	2.887	283	120.9784	2.906	292	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]C[6]CN)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]C[6]CN)(H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.6590	2.507	4	120.6590	6.284	4	120.9839	2.887	283	120.9784	2.906	292	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,3|C<3>,5|H<1>}	C[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|F<1>,2|C<4>,2|H<1>}	120.8615	0.166	2	121.1032	1.615	6	120.9839	2.887	283	120.9784	2.906	292	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,3|C<3>,5|H<1>}	C[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]C[6]HH)(H){3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.4080	1.305	2	121.1032	1.615	6	120.9839	2.887	283	120.9784	2.906	292	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){4|C<3>,5|H<1>}	C[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.0400	2.456	2	121.1032	1.615	6	120.9839	2.887	283	120.9784	2.906	292	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]N[6]CH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<2>,1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]N[6]CH)(H){1|S<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.7755	3.164	2	120.7755	10.013	2	120.9839	2.887	283	120.9784	2.906	292	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]N[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<2>,1|N<3>,2|C<3>,5|H<1>}	C[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]N[6]HH)(H){1|S<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.1135	2.584	2	121.1135	6.680	2	120.9839	2.887	283	120.9784	2.906	292	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]N[6]HO)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]N[6]HO)(H){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.9445	2.864	2	120.9445	8.205	2	120.9839	2.887	283	120.9784	2.906	292	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,3|C<3>,5|H<1>}	C[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.2168	0.207	4	121.2168	0.043	4	120.9839	2.887	283	120.9784	2.906	292	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]N[6]CH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]N[6]CH)(H){1|C<4>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.4140	4.627	2	121.4140	21.412	2	120.9839	2.887	283	120.9784	2.906	292	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]C[6]CC)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,4|C<3>,4|H<1>}	C[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]C[6]CC)(H){3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	121.4005	5.008	2	121.4005	25.084	2	120.9839	2.887	283	120.9784	2.906	292	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,3|C<3>,5|H<1>}	C[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.9980	0.895	2	120.9980	0.801	2	120.9839	2.887	283	120.9784	2.906	292	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]C[6]HH)(H){4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.4060	1.280	2	121.2378	5.767	8	120.9839	2.887	283	120.9784	2.906	292	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,2|C<3>,6|H<1>}	C[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<3>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.1980	2.396	4	121.2378	5.767	8	120.9839	2.887	283	120.9784	2.906	292	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,2|C<3>,6|H<1>}	C[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]C[6]HH)(H){4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.1490	4.629	2	121.2378	5.767	8	120.9839	2.887	283	120.9784	2.906	292	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]C[6]HH)(H){4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,2|C<4>,3|H<1>}	119.8225	1.611	2	119.8225	2.597	2	120.9839	2.887	283	120.9784	2.906	292	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]O[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|O<2>,2|C<3>,6|H<1>}	C[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]O[6]HH)(H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.9032	2.017	4	120.9032	4.067	4	120.9839	2.887	283	120.9784	2.906	292	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6,6a]HO)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[6](C[6]C[6,6a]HO)(C[6a]C[6a]2)(C[6]C[6]CH)(H){4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.9195	3.082	2	120.9725	5.270	4	120.9839	2.887	283	120.9784	2.906	292	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6,6a]HO)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6a]HO)(C[6a]C[6a]2)(C[6]C[6]CH)(H){4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.0255	2.510	2	120.9725	5.270	4	120.9839	2.887	283	120.9784	2.906	292	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6,6a]N[5]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[6](C[6]C[6,6a]N[5]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	121.0860	0.144	2	121.0860	0.021	2	120.9839	2.887	283	120.9784	2.906	292	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6]BrH)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|Br<1>,1|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[6]BrH)(C[6a]C[6a]2)(C[6]C[6]HH)(H){2|O<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.1885	1.932	4	121.1885	3.733	4	120.9839	2.887	283	120.9784	2.906	292	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]C)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,4|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]C)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<1>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	121.1820	1.803	2	121.1820	3.251	2	120.9839	2.887	283	120.9784	2.906	292	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]CC)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){2|C<2>,3|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]CC)(H){1|C<4>,1|N<2>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	120.7455	1.875	2	120.7455	3.514	2	120.9839	2.887	283	120.9784	2.906	292	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){2|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|C<4>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.7650	0.580	2	121.1350	5.480	4	120.9839	2.887	283	120.9784	2.906	292	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){2|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|C<4>,4|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	121.5050	3.944	2	121.1350	5.480	4	120.9839	2.887	283	120.9784	2.906	292	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,3|C<3>,5|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.9960	1.130	2	121.0734	1.560	22	120.9839	2.887	283	120.9784	2.906	292	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,3|C<3>,5|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	121.3462	0.192	4	121.0734	1.560	22	120.9839	2.887	283	120.9784	2.906	292	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,3|C<3>,5|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	121.7255	1.719	2	121.0734	1.560	22	120.9839	2.887	283	120.9784	2.906	292	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){2|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,4|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.8850	0.897	2	121.0734	1.560	22	120.9839	2.887	283	120.9784	2.906	292	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){2|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,2|O<2>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.8305	1.849	6	121.0734	1.560	22	120.9839	2.887	283	120.9784	2.906	292	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){2|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,5|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.0230	2.472	2	121.0734	1.560	22	120.9839	2.887	283	120.9784	2.906	292	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){2|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){5|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.9970	0.967	4	121.0734	1.560	22	120.9839	2.887	283	120.9784	2.906	292	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HO)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HO)(H){1|C<4>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	121.1075	0.766	2	120.8917	3.429	6	120.9839	2.887	283	120.9784	2.906	292	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HO)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HO)(H){1|N<3>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.7837	2.339	4	120.8917	3.429	6	120.9839	2.887	283	120.9784	2.906	292	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]N[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]N[6]HH)(H){1|C<4>,4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	120.7040	1.578	2	120.7040	2.491	2	120.9839	2.887	283	120.9784	2.906	292	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]N[6]HO)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]N[6]HO)(H){1|C<4>,1|O<2>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.0085	1.822	4	121.0085	3.320	4	120.9839	2.887	283	120.9784	2.906	292	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]O[6]CH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]O[6]CH)(H){3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.8555	0.766	2	120.8545	0.866	8	120.9839	2.887	283	120.9784	2.906	292	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]O[6]CH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]O[6]CH)(H){1|C<4>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.8750	1.237	2	120.8545	0.866	8	120.9839	2.887	283	120.9784	2.906	292	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]O[6]CH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]O[6]CH)(H){1|O<2>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.6415	1.327	2	120.8545	0.866	8	120.9839	2.887	283	120.9784	2.906	292	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]O[6]CH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|O<2>,4|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]O[6]CH)(H){3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.0460	1.421	2	120.8545	0.866	8	120.9839	2.887	283	120.9784	2.906	292	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]O[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]O[6]HH)(H){1|C<4>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.8260	3.531	2	120.8260	12.470	2	120.9839	2.887	283	120.9784	2.906	292	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]O[6]H)(C[6a]C[6a]2)(C[6]N[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|N<3>,1|O<2>,2|C<3>,5|H<1>}	C[6](C[6]C[6a]O[6]H)(C[6a]C[6a]2)(C[6]N[6]HH)(H){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.9450	2.414	2	120.9450	5.828	2	120.9839	2.887	283	120.9784	2.906	292	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]O[6]H)(C[6a]C[6a]2)(C[6]O[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){2|C<3>,3|O<2>,4|H<1>}	C[6](C[6]C[6a]O[6]H)(C[6a]C[6a]2)(C[6]O[6]HH)(H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	119.8540	0.000	1	119.8540	0.000	1	120.9839	2.887	283	120.9784	2.906	292	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6a]O[6]H)(C[6a]C[6a]2)(C[6]O[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){2|C<3>,3|O<2>,4|H<1>}	C[6](C[6]C[6a]O[6]H)(C[6a]C[6a]2)(C[6]O[6]HH)(H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	122.1760	0.000	1	122.1760	0.000	1	120.9839	2.887	283	120.9784	2.906	292	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]N[5,6]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|N<3>,3|C<3>,5|H<1>}	C[6](C[6]N[5,6]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.9905	2.976	2	120.9905	8.858	2	120.9839	2.887	283	120.9784	2.906	292	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]N[5]O[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,5|H<1>}	C[6](C[6]N[5]O[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|S<4>,2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.0175	4.581	2	121.0175	20.989	2	120.9839	2.887	283	120.9784	2.906	292	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]N[5a,6]CH)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[6](C[6]N[5a,6]CH)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	121.2515	2.625	2	121.2515	6.893	2	120.9839	2.887	283	120.9784	2.906	292	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]N[6,6]CC)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<3>,1|C<4>,1|N<3>,2|C<2>,4|H<1>}	C[6](C[6]N[6,6]CC)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.9360	0.617	2	120.9360	0.380	2	120.9839	2.887	283	120.9784	2.906	292	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:3:4:1:	3:3:2:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]O[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2H){1|C<3>,1|C<4>,2|O<2>,5|H<1>}	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]O[6]HH)(H){1|C<4>,1|H<1>,2|O<2>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(OH){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	118.7610	0.000	1	118.7610	0.000	1	120.5786	4.060	9	120.5786	4.060	9	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:3:4:1:	3:3:2:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]O[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2H){1|O<2>,2|C<3>,6|H<1>}	C[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]O[6]HH)(H){1|H<1>,1|O<2>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	119.5045	0.254	2	119.5045	0.064	2	120.5786	4.060	9	120.5786	4.060	9	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:3:4:1:	3:3:2:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2H){2|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,4|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH){1|C<3>,2|C<4>,3|H<1>}	119.9885	1.009	2	119.9885	1.018	2	120.5786	4.060	9	120.5786	4.060	9	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:3:4:1:	3:3:2:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]O)2(C[6]C[6]2H)	C[6](C[6]C[6]ClH)(C[6a]C[6a]2)(C[6]C[6]HW)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]O)2(C[6]C[6]2H){1|Cl<1>,1|C<3>,1|W<7>,2|C<4>,4|H<1>}	C[6](C[6]C[6]ClH)(C[6a]C[6a]2)(C[6]C[6]HW)(H){2|O<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	121.7790	4.105	2	121.7790	16.855	2	120.5786	4.060	9	120.5786	4.060	9	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:3:4:1:	3:3:2:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]O)2(C[6]C[6]2H)	C[6](C[6]C[6]SeH)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]O)2(C[6]C[6]2H){1|Se<2>,1|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[6]SeH)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,2|O<2>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	121.9510	1.259	2	121.9510	1.584	2	120.5786	4.060	9	120.5786	4.060	9	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:3:4:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[6]C[6]2H)	C[6](C[6]C[5,6]HN)(C[6a]C[6a]2)(C[6]C[6]HN)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[6]C[6]2H){1|C<3>,2|C<4>,2|N<3>,4|H<1>}	C[6](C[6]C[5,6]HN)(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|N<3>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NOO){1|C<3>,2|C<4>,3|H<1>}	125.3203	0.054	3	125.3203	0.003	3	124.6253	1.935	4	124.6253	1.935	4	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:3:4:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[6]C[6]2H)	C[6](C[6]C[6,6a]HO)(C[6a]C[6a]2)(C[6]O[6]FF)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[6]C[6]2H){2|C<3>,2|F<1>,2|O<2>,3|H<1>}	C[6](C[6]C[6,6a]HO)(C[6a]C[6a]2)(C[6]O[6]FF)(H){1|H<1>,1|N<3>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NOO){1|C<3>,2|C<4>,3|H<1>}	122.5400	0.000	1	122.5400	0.000	1	124.6253	1.935	4	124.6253	1.935	4	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:3:4:1:	3:3:4:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[6]C[6]2H)	C[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[6]C[6]2H){2|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3){1|C<3>,2|C<4>,3|H<1>}	122.3530	0.000	1	122.3530	0.000	1	121.7147	0.686	3	121.7147	0.686	3	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:3:4:1:	3:3:4:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[6]C[6]2H)	C[6](C[6]C[6]FeH)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CHHO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[6]C[6]2H){1|Fe<7>,1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6]C[6]FeH)(C[6a]C[6a]2)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CHHO){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	121.3955	0.872	2	121.3955	0.760	2	121.7147	0.686	3	121.7147	0.686	3	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:3:4:2:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6]-4:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O)	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH)(OH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O){1|C<3>,2|C<4>,6|H<1>}	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH)(OH){1|C<4>,1|O<2>,1|S<2>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	121.5210	3.065	2	121.5210	9.392	2	121.1623	4.610	6	121.1623	4.610	6	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:3:4:2:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6]-4:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH)(OH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O){1|C<4>,2|C<3>,6|H<1>}	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH)(OH){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	121.3800	3.554	2	121.3800	12.630	2	121.1623	4.610	6	121.1623	4.610	6	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:3:4:2:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6]-4:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]HS)(OH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O){1|C<4>,1|S<4>,2|C<3>,5|H<1>}	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]HS)(OH){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	120.5860	0.100	2	120.5860	0.010	2	121.1623	4.610	6	121.1623	4.610	6	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:3:4:3:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6]-4:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C)	C[6](C[6]C[6a]O[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(COO)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C){1|O<2>,3|C<3>,5|H<1>}	C[6](C[6]C[6a]O[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(COO){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	121.0025	0.047	2	121.0025	0.002	2	121.0025	0.002	2	121.1967	0.550	6	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:3:4:3:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6]-4:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]3)	C[6](C[6]C[6a]C[6]2)(C[6a]C[6a]2)(C[6]C[6]HH)(C[6]O[6]O)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]3){1|O<1>,1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]2)(C[6a]C[6a]2)(C[6]C[6]HH)(C[6]O[6]O){1|O<1>,1|O<2>,2|C<4>,4|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	121.2938	0.937	4	121.2938	0.878	4	121.2938	0.878	4	121.1967	0.550	6	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:3:4:4:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6]-4:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]H)(C[6]C[6]2C)	C[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]C[6]HO)(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[5,6a]H)(H)	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]H)(C[6]C[6]2C){1|C<4>,2|C<3>,2|O<2>,4|H<1>}	C[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]C[6]HO)(CH3){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[5,6a]H)(H){1|C<3>,1|O<2>,4|C<4>}	119.5980	0.000	1	119.5980	0.000	1	120.9922	3.343	5	120.9922	3.343	5	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:3:4:4:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6]-4:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C)	C[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]N[6]CH)(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]N[6]CH)(CH3){1|S<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	121.2650	1.020	2	121.2650	1.040	2	120.9922	3.343	5	120.9922	3.343	5	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:3:4:4:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6]-4:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C)	C[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]C[6]CH)(CBrCH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C){2|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]C[6]CH)(CBrCH){4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	121.4165	3.143	2	121.4165	9.879	2	120.9922	3.343	5	120.9922	3.343	5	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:3:4:4:	3:3:4:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6]-4:C-4:	C[5,6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]H)(C[6]C[6]2C)	C[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]C[6]HO)(CH3)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[6])(CH3)	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]H)(C[6]C[6]2C){1|C<4>,2|C<3>,2|O<2>,4|H<1>}	C[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]C[6]HO)(CH3){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[6])(CH3){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	122.1310	0.000	1	122.1310	0.000	1	122.1310	0.000	1	122.1310	0.000	1	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-4:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(C[6]C[6]2H)	C[6](C[6]C[5,6,6]CH)(C[6]C[5,6]HH)(C[6a]C[6a]2)(H)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[6])(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(C[6]C[6]2H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[6](C[6]C[5,6,6]CH)(C[6]C[5,6]HH)(C[6a]C[6a]2)(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[6])(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	120.8030	0.000	1	120.8030	0.000	1	120.8030	0.000	1	120.9758	2.866	50	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(C[6]C[6]2H)	C[6](C[6]C[5,6,6]CH)(C[6]C[5,6]HH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[5,6a]H)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(C[6]C[6]2H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[6](C[6]C[5,6,6]CH)(C[6]C[5,6]HH)(C[6a]C[6a]2)(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[5,6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	119.3290	0.000	1	119.3290	0.000	1	120.9793	2.925	49	120.9758	2.866	50	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[3,6]CH)(C[6]C[5,6]HH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<3>,3|C<4>,5|H<1>}	C[6](C[6]C[3,6]CH)(C[6]C[5,6]HH)(C[6a]C[6a]2)(H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.9935	0.743	2	120.9935	0.552	2	120.9793	2.925	49	120.9758	2.866	50	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[5,6]CC)(C[6]C[6,6]HH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,2|C<2>,2|C<3>,4|H<1>}	C[6](C[6]C[5,6]CC)(C[6]C[6,6]HH)(C[6a]C[6a]2)(H){1|O<2>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.7590	2.158	2	120.7590	4.657	2	120.9793	2.925	49	120.9758	2.866	50	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<3>,3|C<4>,5|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(C[6a]C[6a]2)(H){1|N<3>,2|O<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	120.9197	1.103	4	121.0443	1.768	6	120.9793	2.925	49	120.9758	2.866	50	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){2|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(C[6a]C[6a]2)(H){1|N<4>,2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	121.2935	2.238	2	121.0443	1.768	6	120.9793	2.925	49	120.9758	2.866	50	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HI)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<3>,1|I<1>,3|C<4>,4|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HI)(C[6a]C[6a]2)(H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.8775	4.460	2	120.8775	19.889	2	120.9793	2.925	49	120.9758	2.866	50	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<3>,2|C<4>,6|H<1>}	C[6](C[6]C[5,6]HH)2(C[6a]C[6a]2)(H){1|C<4>,2|C<3>,3|H<1>,3|O<2>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.4490	0.912	2	120.9132	3.339	6	120.9793	2.925	49	120.9758	2.866	50	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<3>,2|C<4>,6|H<1>}	C[6](C[6]C[5,6]HH)2(C[6a]C[6a]2)(H){1|N<3>,1|O<2>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.1453	2.252	4	120.9132	3.339	6	120.9793	2.925	49	120.9758	2.866	50	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[5a]O[6]H)(C[6]C[6,6a]CH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|O<2>,4|C<3>,4|H<1>}	C[6](C[6]C[5a]O[6]H)(C[6]C[6,6a]CH)(C[6a]C[6a]2)(H){1|N<3>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.9215	0.801	4	120.9215	0.641	4	120.9793	2.925	49	120.9758	2.866	50	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<3>,2|C<4>,6|H<1>}	C[6](C[6]C[6,6]HH)2(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	121.2335	1.105	2	121.1894	3.295	12	120.9793	2.925	49	120.9758	2.866	50	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<3>,2|C<4>,6|H<1>}	C[6](C[6]C[6,6]HH)2(C[6a]C[6a]2)(H){1|C<4>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.0885	0.756	2	121.1894	3.295	12	120.9793	2.925	49	120.9758	2.866	50	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<3>,2|C<4>,6|H<1>}	C[6](C[6]C[6,6]HH)2(C[6a]C[6a]2)(H){1|N<2>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.1062	3.160	4	121.1894	3.295	12	120.9793	2.925	49	120.9758	2.866	50	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<3>,2|C<4>,6|H<1>}	C[6](C[6]C[6,6]HH)2(C[6a]C[6a]2)(H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	121.3010	1.210	4	121.1894	3.295	12	120.9793	2.925	49	120.9758	2.866	50	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6,6a]CH)(C[6]C[5,6]HH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,3|C<3>,5|H<1>}	C[6](C[6]C[6,6a]CH)(C[6]C[5,6]HH)(C[6a]C[6a]2)(H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.5955	2.389	2	121.5955	5.709	2	120.9793	2.925	49	120.9758	2.866	50	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6,6a]C[5a]H)(C[6]C[6a]N[6]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|N<3>,4|C<3>,4|H<1>}	C[6](C[6]C[6,6a]C[5a]H)(C[6]C[6a]N[6]H)(C[6a]C[6a]2)(H){1|N<3>,3|H<1>,7|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.7570	2.061	2	120.7570	4.246	2	120.9793	2.925	49	120.9758	2.866	50	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[5a]O[6]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|O<2>,4|C<3>,4|H<1>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[5a]O[6]H)(C[6a]C[6a]2)(H){2|H<1>,8|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.3060	4.535	2	121.3060	20.570	2	120.9793	2.925	49	120.9758	2.866	50	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]O[6]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Cl)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|Cl<1>,1|O<2>,3|H<1>,4|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]O[6]H)(C[6a]C[6a]2)(H){2|H<1>,8|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Cl)(H){1|C<3>,2|C<4>,3|H<1>}	121.0900	0.000	1	121.0900	0.000	1	120.9793	2.925	49	120.9758	2.866	50	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]O[6]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|Cl<1>,1|O<2>,3|H<1>,4|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]O[6]H)(C[6a]C[6a]2)(H){2|H<1>,8|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.1830	0.000	1	120.7553	2.702	7	120.9793	2.925	49	120.9758	2.866	50	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]O[6]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|O<2>,4|C<3>,4|H<1>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]O[6]H)(C[6a]C[6a]2)(H){2|H<1>,8|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|F<1>,2|C<4>,2|H<1>}	120.7835	1.429	2	120.7553	2.702	7	120.9793	2.925	49	120.9758	2.866	50	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]O[6]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|O<2>,4|C<3>,4|H<1>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]O[6]H)(C[6a]C[6a]2)(H){2|H<1>,8|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.8843	2.143	4	120.7553	2.702	7	120.9793	2.925	49	120.9758	2.866	50	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:3:4:	4:4:3:2:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-4:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O)	C[6](C[6]C[6,6]HH)(C[6]C[6]ClH)(C[6a]C[6a]2)(OH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O){1|Cl<1>,1|C<4>,2|C<3>,5|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]ClH)(C[6a]C[6a]2)(OH){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	121.2235	0.944	2	121.2235	0.891	2	121.2235	0.891	2	121.2235	0.891	2	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:4:2:	3:2:2:1:	3:3:1:	C[6a]-3:C[6]-4:N[6a]-2:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6]O[6]2H)(N[6a]C[6a])	C[6](C[6a]C[6a]N[6a])(O[6]C[6])2(H)	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6]O[6]2H)(N[6a]C[6a]){1|O<2>,2|C<3>,2|C<4>}	C[6](C[6a]C[6a]N[6a])(O[6]C[6])2(H){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,2|H<1>,2|O<2>}	120.4130	0.000	1	120.4130	0.000	1	120.4130	0.000	1	120.4130	0.000	1	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:4:2:	3:2:2:4:	3:3:1:	C[6a]-3:C[6]-4:N[6a]-2:	C[6a]-3:O[6]-2:O[6]-2:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6]O[6]2C)(N[6a]C[6a])	C[6](C[6a]C[6a]N[6a])(O[6]C[6])2(CH3)	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6]O[6]2C)(N[6a]C[6a]){1|C<3>,1|H<1>,3|C<4>}	C[6](C[6a]C[6a]N[6a])(O[6]C[6])2(CH3){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	121.4260	0.000	1	121.4260	0.000	1	121.4260	0.000	1	121.4260	0.000	1	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:4:2:	3:3:3:1:	3:3:1:	C[6a]-3:C[6]-4:N[6a]-2:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6]C[6]2H)(N[6a]C[6a])	C[6](C[6a]C[6a]N[6a])(C[6]C[6]C)(C[6]C[6]N)(H)	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6]C[6]2H)(N[6a]C[6a]){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]C)(C[6]C[6]N)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	120.6180	0.000	1	120.6180	0.000	1	120.6180	0.000	1	120.7520	0.373	6	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:4:2:	3:3:3:1:	3:3:1:	C[6a]-3:C[6]-4:N[6a]-2:	C[6a]-3:N[6]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6]N[6]2H)(N[6a]C[6a])	C[6](C[6a]C[6a]N[6a])(N[6]C[6,6a]H)(N[6]C[6]N)(H)	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6]N[6]2H)(N[6a]C[6a]){1|N<2>,3|C<3>,3|H<1>}	C[6](C[6a]C[6a]N[6a])(N[6]C[6,6a]H)(N[6]C[6]N)(H){1|H<1>,1|O<1>,4|C<3>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	120.1990	0.000	1	120.1990	0.000	1	120.7788	0.461	5	120.7520	0.373	6	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:4:2:	3:3:3:1:	3:3:1:	C[6a]-3:C[6]-4:N[6a]-2:	C[6a]-3:N[6]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6]N[6]2H)(N[6a]C[6a])	C[6](C[6a]C[6a]N[6a])(N[6]C[6]C)2(H)	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6]N[6]2H)(N[6a]C[6a]){1|C<3>,2|H<1>,4|C<4>}	C[6](C[6a]C[6a]N[6a])(N[6]C[6]C)2(H){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	121.1717	0.586	3	121.1717	0.344	3	120.7788	0.461	5	120.7520	0.373	6	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:4:2:	3:3:3:1:	3:3:1:	C[6a]-3:C[6]-4:N[6a]-2:	C[6a]-3:N[6]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6]N[6]2H)(N[6a]C[6a])	C[6](C[6a]C[6a]N[6a])(N[6]N[6]H)2(H)	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6]N[6]2H)(N[6a]C[6a]){1|C<3>,2|N<3>,4|H<1>}	C[6](C[6a]C[6a]N[6a])(N[6]N[6]H)2(H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	120.1800	0.000	1	120.1800	0.000	1	120.7788	0.461	5	120.7520	0.373	6	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:4:2:	3:3:3:2:	3:3:1:	C[6a]-3:C[6]-4:N[6a]-2:	C[6a]-3:N[6]-3:N[6]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6]N[6]2O)(N[6a]C[6a])	C[6](C[6a]C[6a]N[6a])(N[6]C[6]Re)2(OC)	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6]N[6]2O)(N[6a]C[6a]){2|Re<6>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]N[6a])(N[6]C[6]Re)2(OC){1|H<1>,1|N<2>,4|C<3>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,2|N<3>}	122.0830	0.181	2	122.0830	0.033	2	122.0830	0.033	2	122.0830	0.033	2	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:4:2:	3:3:3:4:	3:3:1:	C[6a]-3:C[6]-4:N[6a]-2:	C[6a]-3:C[6]-3:C[6]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6]C[6]2C)(N[6a]C[6a])	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)2(CCHH)	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6]C[6]2C)(N[6a]C[6a]){3|C<3>,4|H<1>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)2(CCHH){1|H<1>,1|N<3>,4|C<3>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	122.7950	0.000	1	122.7950	0.000	1	122.7950	0.000	1	122.8573	0.311	6	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:4:2:	3:3:3:4:	3:3:1:	C[6a]-3:C[6]-4:N[6a]-2:	C[6a]-3:N[6]-3:N[6]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6]N[6]2C)(N[6a]C[6a])	C[6](C[6a]C[6a]N[6a])(N[6]C[6]H)2(CH3)	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6]N[6]2C)(N[6a]C[6a]){1|C<3>,2|C<4>,4|H<1>}	C[6](C[6a]C[6a]N[6a])(N[6]C[6]H)2(CH3){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,2|N<3>}	122.6550	0.000	1	122.8698	0.388	5	122.8698	0.388	5	122.8573	0.311	6	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:4:2:	3:3:3:4:	3:3:1:	C[6a]-3:C[6]-4:N[6a]-2:	C[6a]-3:N[6]-3:N[6]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6]N[6]2C)(N[6a]C[6a])	C[6](C[6a]C[6a]N[6a])(N[6]C[6]H)2(CH3)	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6]N[6]2C)(N[6a]C[6a]){1|C<3>,3|C<4>,3|H<1>}	C[6](C[6a]C[6a]N[6a])(N[6]C[6]H)2(CH3){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,2|N<3>}	122.9235	0.705	4	122.8698	0.388	5	122.8698	0.388	5	122.8573	0.311	6	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:4:2:	3:4:3:1:	3:2:3:	C[6a]-3:C[6]-4:N[6a]-2:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:N[6a]-2:C[6a]-3:	C[6a](C[6a]C[6a]N[6a])(C[6]C[6]N[6]H)(N[6a]C[6a,6a])	C[6](C[6a]C[6a]N[6a])(C[6]C[6a]N[6]H)(N[6]C[6,6a]H)(H)	C[6a](C[6a]N[6a]C[6])(N[6a]C[6a,6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N[6a])(C[6]C[6]N[6]H)(N[6a]C[6a,6a]){1|N<3>,2|H<1>,6|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6a]N[6]H)(N[6]C[6,6a]H)(H){1|H<1>,1|N<2>,6|C<3>}	C[6a](C[6a]N[6a]C[6])(N[6a]C[6a,6a])(C[6a]C[6a]2){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	122.0380	0.000	1	122.0380	0.000	1	122.0380	0.000	1	122.0380	0.000	1	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:4:2:	3:4:4:1:	3:2:2:	C[6a]-3:C[6]-4:N[6a]-2:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:N[6a]-2:O-2:	C[6a](C[6a]N[6a]O)(C[6]C[6]2H)(N[6a]C[6a])	C[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2(H)	C[6a](C[6a]N[6a]C[6])(N[6a]C[6a])(OC[6a])	C[6a](C[6a]N[6a]O)(C[6]C[6]2H)(N[6a]C[6a]){1|C<3>,2|C<4>,5|H<1>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2(H){1|C<3>,1|N<2>,1|N<3>,1|O<2>,4|H<1>}	C[6a](C[6a]N[6a]C[6])(N[6a]C[6a])(OC[6a]){1|C<3>,2|C<4>,2|H<1>}	122.1665	1.252	2	122.1665	1.568	2	122.1665	1.568	2	122.1665	1.568	2	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:4:2:	3:4:4:1:	3:3:1:	C[6a]-3:C[6]-4:N[6a]-2:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6]C[6]2H)(N[6a]C[6a])	C[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]C[6])(H)	C[6a](C[6a]C[6a,6a]H)(C[6]C[6]2H)(N[6a]C[6a]){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2(H){1|N<3>,2|C<3>,5|H<1>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]C[6])(H){1|H<1>,2|C<4>,4|C<3>}	119.2200	0.000	1	119.2200	0.000	1	119.2200	0.000	1	122.1941	4.925	15	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:4:2:	3:4:4:1:	3:3:1:	C[6a]-3:C[6]-4:N[6a]-2:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6]C[6]2H)(N[6a]C[6a])	C[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)(C[6]N[6]HH)(H)	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6]C[6]2H)(N[6a]C[6a]){1|C<3>,1|C<4>,1|N<3>,1|O<2>,5|H<1>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)(C[6]N[6]HH)(H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	120.4000	0.000	1	120.6897	0.072	3	121.9412	1.671	13	122.1941	4.925	15	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:4:2:	3:4:4:1:	3:3:1:	C[6a]-3:C[6]-4:N[6a]-2:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6]C[6]2H)(N[6a]C[6a])	C[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)(C[6]N[6]HH)(H)	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6]C[6]2H)(N[6a]C[6a]){1|C<3>,1|C<4>,1|N<3>,1|O<2>,5|H<1>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)(C[6]N[6]HH)(H){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	120.8345	0.138	2	120.6897	0.072	3	121.9412	1.671	13	122.1941	4.925	15	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:4:2:	3:4:4:1:	3:3:1:	C[6a]-3:C[6]-4:N[6a]-2:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6]C[6]2H)(N[6a]C[6a])	C[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2(H)	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]C)(H)	C[6a](C[6a]C[6a]H)(C[6]C[6]2H)(N[6a]C[6a]){1|C<2>,1|C<3>,2|C<4>,5|H<1>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2(H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]C)(H){1|C<3>,2|C<4>,2|H<1>}	122.2900	1.255	6	122.2900	1.575	6	121.9412	1.671	13	122.1941	4.925	15	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:4:2:	3:4:4:1:	3:3:1:	C[6a]-3:C[6]-4:N[6a]-2:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6]C[6]2H)(N[6a]C[6a])	C[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2(H)	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6]C[6]2H)(N[6a]C[6a]){2|C<3>,2|C<4>,5|H<1>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2(H){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	123.2210	0.000	1	123.2210	0.000	1	121.9412	1.671	13	122.1941	4.925	15	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:4:2:	3:4:4:1:	3:3:1:	C[6a]-3:C[6]-4:N[6a]-2:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6]C[6]2H)(N[6a]C[6a])	C[6](C[6a]C[6a]N[6a])(C[6]O[6]HH)2(H)	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6]C[6]2H)(N[6a]C[6a]){1|C<3>,2|O<2>,6|H<1>}	C[6](C[6a]C[6a]N[6a])(C[6]O[6]HH)2(H){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	123.8580	0.000	1	123.8580	0.000	1	121.9412	1.671	13	122.1941	4.925	15	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:4:2:	3:4:4:1:	3:3:1:	C[6a]-3:C[6]-4:N[6a]-2:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6]C[6]2H)(N[6a]C[6a])	C[6](C[6a]C[6a]N[6a])(C[6]S[6]HH)2(H)	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6]C[6]2H)(N[6a]C[6a]){1|C<3>,2|S<2>,6|H<1>}	C[6](C[6a]C[6a]N[6a])(C[6]S[6]HH)2(H){1|H<1>,3|C<3>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	121.1735	0.336	2	121.1735	0.113	2	121.9412	1.671	13	122.1941	4.925	15	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:4:2:	3:4:4:1:	3:3:1:	C[6a]-3:C[6]-4:O[6a]-2:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6]C[6]2H)(O[6a]C[6a])	C[6](C[6a]C[6a]O[6a])(C[6]C[6]HH)2(H)	C[6a](C[6a]O[6a]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6]C[6]2H)(O[6a]C[6a]){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6a]C[6a]O[6a])(C[6]C[6]HH)2(H){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[6a]O[6a]C[6])(C[6a]C[6a]2)(H){1|H<1>,2|C<4>,4|C<3>}	128.4570	0.000	1	128.4570	0.000	1	128.4570	0.000	1	122.1941	4.925	15	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:4:2:	3:4:4:2:	3:3:1:	C[6a]-3:C[6]-4:N[6a]-2:	C[6a]-3:C[6]-4:C[6]-4:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6]C[6]2O)(N[6a]C[6a])	C[6](C[6a]C[6a]N[6a])(C[6]C[6]CH)(C[6]C[6]HH)(OH)	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6]C[6]2O)(N[6a]C[6a]){2|C<3>,2|C<4>,5|H<1>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]CH)(C[6]C[6]HH)(OH){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	122.7182	0.789	4	122.7182	0.623	4	122.7182	0.623	4	122.7182	0.623	4	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:4:2:	3:4:4:4:	3:3:1:	C[6a]-3:C[6]-4:N[6a]-2:	C[6a]-3:C[6]-4:C[6]-4:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6]C[6]2C)(N[6a]C[6a])	C[6](C[6a]C[6a]N[6a])(C[6]N[6]HH)2(CH3)	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6]C[6]2C)(N[6a]C[6a]){1|C<3>,2|N<3>,6|H<1>}	C[6](C[6a]C[6a]N[6a])(C[6]N[6]HH)2(CH3){1|Nb<4>,2|Si<4>,1|H<1>,2|C<3>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	123.0000	0.563	2	123.0000	0.317	2	123.0000	0.317	2	123.0000	0.317	2	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:4:2:	4:3:3:1:	3:3:1:	C[6a]-3:C[6]-4:N[6a]-2:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6]C[6]2H)(N[6a]C[6a])	C[6](C[6]C[5x3,5x5,21x6]HH)(C[6a]C[6a]N[6a])(C[6]C[6]C)(H)	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6]C[6]2H)(N[6a]C[6a]){1|C<4>,1|C<6>,2|C<3>,4|H<1>}	C[6](C[6]C[5x3,5x5,21x6]HH)(C[6a]C[6a]N[6a])(C[6]C[6]C)(H){1|C<6>,1|H<1>,3|C<3>,4|B<6>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	120.6550	0.000	1	120.6550	0.000	1	120.6550	0.000	1	120.6550	0.000	1	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:4:3:	3:2:3:4:	3:3:1:	C[6a]-3:C[6]-4:C[6a]-3:	C[6a]-3:O[6]-2:C[6]-3:C-4:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6]C[6]O[6]C)(C[6a]C[6a]H)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]N[6]O)(CC[6a]HH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])(H)	C[6a](C[6a]C[6a,6a]H)(C[6]C[6]O[6]C)(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]N[6]O)(CC[6a]HH){2|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])(H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	122.3480	0.000	1	122.3480	0.000	1	122.3480	0.000	1	120.7535	5.085	2	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:4:3:	3:2:3:4:	3:3:1:	C[6a]-3:C[6]-4:C[6a]-3:	C[6a]-3:O[6]-2:C[6]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6]C[6]O[6]C)(C[6a]C[6a]H)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]N[6]O)(CC[6a]HH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C[6])(H)	C[6a](C[6a]C[6a,6a]H)(C[6]C[6]O[6]C)(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]N[6]O)(CC[6a]HH){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C[6])(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	119.1590	0.000	1	119.1590	0.000	1	119.1590	0.000	1	120.7535	5.085	2	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:4:3:	3:2:4:1:	3:3:1:	C[6a]-3:C[6]-4:C[6a]-3:	C[6a]-3:O[6]-2:C[6]-4:H-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6]C[6]O[6]H)(C[6a]C[6a]H)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]CC)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])(H)	C[6a](C[6a]C[6a,6a]H)(C[6]C[6]O[6]H)(C[6a]C[6a]H){1|C<4>,1|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]CC)(H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	118.8240	0.180	2	118.8240	0.032	2	118.8240	0.032	2	120.5712	4.085	4	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:4:3:	3:2:4:1:	3:3:1:	C[6a]-3:C[6]-4:C[6a]-3:	C[6a]-3:O[6]-2:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6]C[6]O[6]H)(C[6a]C[6a]H)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]CC)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C[6])(H)	C[6a](C[6a]C[6a,6a]H)(C[6]C[6]O[6]H)(C[6a]C[6a]H){1|C<4>,1|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]CC)(H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C[6])(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	122.3185	0.112	2	122.3185	0.013	2	122.3185	0.013	2	120.5712	4.085	4	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:4:3:	3:2:4:4:	3:2:1:	C[6a]-3:C[6]-4:C[6a]-3:	C[6a]-3:O[6]-2:C[6]-4:C-4:	C[6a]-3:O[6a]-2:O-1:	C[6a](C[6a]C[6a,6a]O)(C[6]C[6]O[6]C)(C[6a]O[6a]O)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HH)(CH3)	C[6a](C[6a]C[6a]C[6])(O[6a]C[6a,6a])(O)	C[6a](C[6a]C[6a,6a]O)(C[6]C[6]O[6]C)(C[6a]O[6a]O){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HH)(CH3){1|O<1>,2|C<4>,2|O<2>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(O[6a]C[6a,6a])(O){2|C<3>,2|C<4>,2|O<2>}	116.6100	0.000	1	116.6100	0.000	1	116.6100	0.000	1	116.6100	0.000	1	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:4:3:	3:2:4:4:	3:3:2:	C[6a]-3:C[6]-4:C[6a]-3:	C[6a]-3:O[6]-2:C[6]-4:C-4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a,6a]O)(C[6]C[6]O[6]C)(C[6a]O[6a]O)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HH)(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])(OH)	C[6a](C[6a]C[6a,6a]O)(C[6]C[6]O[6]C)(C[6a]O[6a]O){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HH)(CH3){1|O<1>,2|C<4>,2|O<2>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])(OH){1|H<1>,1|O<1>,2|C<3>,2|C<4>,2|O<2>}	124.6090	0.000	1	124.6090	0.000	1	124.6090	0.000	1	124.6090	0.000	1	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:4:3:	3:3:2:1:	3:3:1:	C[6a,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]O[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(O[6]C[6])(H)	C[6a](C[6a]C[6a,6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]O[6]H)(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(O[6]C[6])(H){1|C<4>,4|H<1>,5|C<3>}	C[6a](C[6a]C[6a,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,2|O<2>,3|C<3>}	122.5220	0.000	1	122.5220	0.000	1	122.5220	0.000	1	122.5220	0.000	1	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:4:3:	3:3:2:1:	3:3:2:	C[6a,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]O[6]H)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(O[6]C[6])(H)	C[6a](C[6a]C[6a,6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]O[6]H)(C[6a]C[6a]O){1|C<4>,2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(O[6]C[6])(H){1|C<4>,1|O<2>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a,6a]C[6])(C[6a]C[6a]H)(OC){1|O<2>,2|H<1>,3|C<3>}	118.8040	0.400	3	118.8040	0.160	3	118.8040	0.160	3	119.5222	2.170	4	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:4:3:	3:3:2:1:	3:3:2:	C[6a,6a]-3:C[6]-4:C[6a]-3:	C[6a]-3:C[6]-3:O[6]-2:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6]O[6]H)(C[6a]C[6a]O)	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]H)(O[6]C[6])(H)	C[6a](C[6a]C[6a,6a]C[6])(C[6a]C[6a]H)(OH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6]O[6]H)(C[6a]C[6a]O){1|C<4>,3|H<1>,4|C<3>}	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]H)(O[6]C[6])(H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]C[6])(C[6a]C[6a]H)(OH){1|O<2>,2|H<1>,3|C<3>}	121.6770	0.000	1	121.6770	0.000	1	121.6770	0.000	1	119.5222	2.170	4	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:4:3:	3:3:3:1:	3:2:1:	C[6a]-3:C[6]-4:C[6a]-3:	C[6,6]-3:C[6,6]-3:C[6a]-3:H-1:	C[6a]-3:O[6a]-2:H-1:	C[6a](C[6a]C[6a,6a]O)(C[6]C[6,6]2H)(C[6a]O[6a]H)	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(O[6a]C[6a,6a])(H)	C[6a](C[6a]C[6a,6a]O)(C[6]C[6,6]2H)(C[6a]O[6a]H){6|C<3>}	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H){1|C<3>,1|H<1>,2|O<2>,3|O<1>,4|C<4>}	C[6a](C[6a]C[6a]C[6])(O[6a]C[6a,6a])(H){1|H<1>,1|O<1>,4|C<3>}	119.6910	0.000	1	119.6910	0.000	1	119.6910	0.000	1	118.9550	1.083	2	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:4:3:	3:3:3:1:	3:2:1:	C[6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:O[6a]-2:O-1:	C[6a](C[6a]C[6a,6a]O)(C[6]C[6,6a]2H)(C[6a]O[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(O[6a]C[6a,6a])(O)	C[6a](C[6a]C[6a,6a]O)(C[6]C[6,6a]2H)(C[6a]O[6a]O){6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H){1|H<1>,2|N<3>,2|O<1>,3|C<3>,3|O<2>}	C[6a](C[6a]C[6a]C[6])(O[6a]C[6a,6a])(O){1|H<1>,1|O<2>,4|C<3>}	118.2190	0.000	1	118.2190	0.000	1	118.2190	0.000	1	118.9550	1.083	2	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:4:3:	3:3:3:1:	3:3:1:	C[6a,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]2H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a]C[6a,6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]2H)(C[6a]C[6a]H){1|Si<4>,1|H<1>,7|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a,6a]C[6a])(H){1|O<2>,3|H<1>,7|C<3>}	C[6a](C[6a]C[6a,6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,4|C<3>}	115.0080	0.000	1	117.1600	9.262	2	118.1993	7.872	3	119.9099	2.946	24	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:4:3:	3:3:3:1:	3:3:1:	C[6a,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]2H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a]C[6a,6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]2H)(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a,6a]C[6a])(H){1|O<2>,3|H<1>,7|C<3>}	C[6a](C[6a]C[6a,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,4|C<3>}	119.3120	0.000	1	117.1600	9.262	2	118.1993	7.872	3	119.9099	2.946	24	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:4:3:	3:3:3:1:	3:3:1:	C[6a,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]2H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a]C[6a,6a]C[6])(C[6a]O[6a]O)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]2H)(C[6a]C[6a]H){1|H<1>,1|O<1>,1|O<2>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a,6a]C[6a])(H){1|O<2>,3|H<1>,7|C<3>}	C[6a](C[6a]C[6a,6a]C[6])(C[6a]O[6a]O)(H){1|H<1>,4|C<3>}	120.2780	0.000	1	120.2780	0.000	1	118.1993	7.872	3	119.9099	2.946	24	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:4:3:	3:3:3:1:	3:3:1:	C[6a,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6]C[6]C)(H)	C[6a](C[6a]C[6a,6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]C[6]H)(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6]C[6]C)(H){1|O<2>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a,6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,4|C<3>}	117.8920	0.000	1	117.8920	0.000	1	117.8920	0.000	1	119.9099	2.946	24	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:4:3:	3:3:3:1:	3:3:1:	C[6a,6a]-3:C[6]-4:C[6a]-3:	C[6a]-3:C[6,6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6]C[6]H)(C[6a]C[6a]H)	C[6](C[6a]C[6a,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6]C[6]C)(H)	C[6a](C[6a]C[6a,6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6]C[6]H)(C[6a]C[6a]H){1|C<2>,2|H<1>,6|C<3>}	C[6](C[6a]C[6a,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6]C[6]C)(H){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a,6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,4|C<3>}	119.5040	1.957	2	119.5040	3.831	2	119.5040	3.831	2	119.9099	2.946	24	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:4:3:	3:3:3:1:	3:3:1:	C[6a,6a]-3:C[6]-4:C[6a]-3:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6]N[6]H)(C[6a]C[6a]H)	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]C)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a,6a]C[6])(C[6a]N[6a]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6]N[6]H)(C[6a]C[6a]H){1|N<2>,3|H<1>,5|C<3>}	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]C)(N[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]C[6])(C[6a]N[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	121.5160	0.000	1	121.5160	0.000	1	121.5160	0.000	1	119.9099	2.946	24	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:4:3:	3:3:3:1:	3:3:1:	C[6a,6a]-3:C[6]-4:C[6a]-3:	C[6a]-3:N[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6]N[6]H)(C[6a]C[6a]H)	C[6](C[6a]C[6a,6a]C[6a])(N[6]C[6,6a]C)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a,6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6]N[6]H)(C[6a]C[6a]H){3|H<1>,6|C<3>}	C[6](C[6a]C[6a,6a]C[6a])(N[6]C[6,6a]C)(C[6]C[6]H)(H){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a,6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|H<1>,3|C<3>}	120.3250	0.000	1	120.3250	0.000	1	120.3250	0.000	1	119.9099	2.946	24	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:4:3:	3:3:3:1:	3:3:1:	C[6a]-3:C[6]-4:C[6a]-3:	C[6,6]-3:C[6,6]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[5,6a]H)(C[6]C[6,6]2H)(C[6a]C[6a]H)	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[6])(H)	C[6a](C[6a]C[5,6a]H)(C[6]C[6,6]2H)(C[6a]C[6a]H){1|H<1>,1|O<2>,5|C<3>}	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H){1|N<3>,2|C<3>,2|H<1>,2|O<1>,4|C<4>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[6])(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	120.4810	0.588	3	120.4810	0.346	3	120.4810	0.346	3	119.9099	2.946	24	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:4:3:	3:3:3:1:	3:3:1:	C[6a]-3:C[6]-4:C[6a]-3:	C[6,6]-3:C[6,6]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6]C[6,6]2H)(C[6a]N[6a]O)	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])(H)	C[6a](C[6a]C[6a,6a]H)(C[6]C[6,6]2H)(C[6a]N[6a]O){1|H<1>,6|C<3>}	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,3|O<1>,4|C<4>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])(H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	122.3860	0.269	2	122.3860	0.072	2	122.3860	0.072	2	119.9099	2.946	24	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:4:3:	3:3:3:1:	3:3:1:	C[6a]-3:C[6]-4:C[6a]-3:	C[6,6]-3:C[6,6]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:O-1:	C[6a](C[6a]C[6a,6a]O)(C[6]C[6,6]2H)(C[6a]O[6a]H)	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])(O)	C[6a](C[6a]C[6a,6a]O)(C[6]C[6,6]2H)(C[6a]O[6a]H){6|C<3>}	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H){1|C<3>,1|H<1>,2|O<2>,3|O<1>,4|C<4>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])(O){1|O<2>,3|H<1>,4|C<3>}	120.7490	0.000	1	120.7490	0.000	1	120.7490	0.000	1	119.9099	2.946	24	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:4:3:	3:3:3:1:	3:3:1:	C[6a]-3:C[6]-4:C[6a]-3:	C[6,6]-3:C[6,6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[5,6a]H)(C[6]C[6,6]2H)(C[6a]C[6a]H)	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[5,6a]H)(H)	C[6a](C[6a]C[5,6a]H)(C[6]C[6,6]2H)(C[6a]C[6a]H){1|H<1>,1|O<2>,5|C<3>}	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H){1|N<3>,2|C<3>,2|H<1>,2|O<1>,4|C<4>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[5,6a]H)(H){1|O<2>,2|H<1>,3|C<3>}	120.1043	0.706	3	120.1043	0.498	3	120.1043	0.498	3	119.9099	2.946	24	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:4:3:	3:3:3:1:	3:3:1:	C[6a]-3:C[6]-4:C[6a]-3:	C[6,6]-3:C[6,6]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	C[6a](C[6a]C[6a,6a]H)(C[6]C[6,6]2H)(C[6a]N[6a]O)	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a,6a]H)(O)	C[6a](C[6a]C[6a,6a]H)(C[6]C[6,6]2H)(C[6a]N[6a]O){1|H<1>,6|C<3>}	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,3|O<1>,4|C<4>}	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a,6a]H)(O){2|H<1>,4|C<3>}	118.3010	0.287	2	118.3010	0.082	2	118.3010	0.082	2	119.9099	2.946	24	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:4:3:	3:3:3:1:	3:3:1:	C[6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C[5])(C[6]C[6,6a]2H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]C[5])(C[6]C[6,6a]2H)(C[6a]C[6a]H){2|C<4>,3|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H){2|C<4>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	118.6390	0.000	1	118.6390	0.000	1	118.6390	0.000	1	119.9099	2.946	24	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:4:3:	3:3:3:1:	3:3:1:	C[6a]-3:C[6]-4:C[6a]-3:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6]C[6]N[6]H)(C[6a]C[6a]H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]S)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])(H)	C[6a](C[6a]C[6a,6a]H)(C[6]C[6]N[6]H)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|S<4>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]S)(H){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])(H){1|N<3>,3|H<1>,4|C<3>}	122.1280	0.000	1	122.1280	0.000	1	121.9100	0.095	2	119.9099	2.946	24	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:4:3:	3:3:3:1:	3:3:1:	C[6a]-3:C[6]-4:C[6a]-3:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6]C[6]N[6]H)(C[6a]C[6a]H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])(H)	C[6a](C[6a]C[6a,6a]H)(C[6]C[6]N[6]H)(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]H)(H){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])(H){1|N<3>,3|H<1>,4|C<3>}	121.6920	0.000	1	121.6920	0.000	1	121.9100	0.095	2	119.9099	2.946	24	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:4:3:	3:3:3:1:	3:3:1:	C[6a]-3:C[6]-4:C[6a]-3:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6]C[6]N[6]H)(C[6a]C[6a]H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]S)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C[6])(H)	C[6a](C[6a]C[6a,6a]H)(C[6]C[6]N[6]H)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|S<4>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]S)(H){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C[6])(H){1|N<3>,2|H<1>,3|C<3>}	118.8850	0.000	1	118.8850	0.000	1	119.0800	0.076	2	119.9099	2.946	24	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:4:3:	3:3:3:1:	3:3:1:	C[6a]-3:C[6]-4:C[6a]-3:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6]C[6]N[6]H)(C[6a]C[6a]H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C[6])(H)	C[6a](C[6a]C[6a,6a]H)(C[6]C[6]N[6]H)(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]H)(H){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C[6])(H){1|N<3>,2|H<1>,3|C<3>}	119.2750	0.000	1	119.2750	0.000	1	119.0800	0.076	2	119.9099	2.946	24	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:4:3:	3:3:3:1:	3:3:2:	C[5a,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6]C[6,6a]N[6]H)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[5a,6a]C[6a])(N[6]S[6]H)(H)	C[6a](C[6a]C[5a,6a]C[6])(C[6a]C[6a]H)(OH)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6]C[6,6a]N[6]H)(C[6a]C[6a]O){1|N<3>,1|S<4>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[5a,6a]C[6a])(N[6]S[6]H)(H){1|H<1>,2|O<1>,2|O<2>,5|C<3>}	C[6a](C[6a]C[5a,6a]C[6])(C[6a]C[6a]H)(OH){1|N<3>,2|H<1>,3|C<3>}	120.9440	0.000	1	120.9440	0.000	1	120.9440	0.000	1	121.4935	0.604	2	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:4:3:	3:3:3:1:	3:3:2:	C[6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a,6a]O)(C[6]C[6,6a]2H)(C[6a]O[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])(OH)	C[6a](C[6a]C[6a,6a]O)(C[6]C[6,6a]2H)(C[6a]O[6a]O){6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H){1|H<1>,2|N<3>,2|O<1>,3|C<3>,3|O<2>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])(OH){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	122.0430	0.000	1	122.0430	0.000	1	122.0430	0.000	1	121.4935	0.604	2	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:4:3:	3:3:3:1:	4:3:3:	C[6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]C[5])(C[6]C[6,6a]2H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]C[5])(C[6]C[6,6a]2H)(C[6a]C[6a]H){2|C<4>,3|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H){2|C<4>,3|H<1>,6|C<3>}	C[6a](C[5]C[5,6]C[5]H)(C[6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,5|H<1>,6|C<3>}	122.8190	0.000	1	122.8190	0.000	1	122.8190	0.000	1	122.8190	0.000	1	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:4:3:	3:3:3:2:	3:3:1:	C[6a,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]2O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a,6a]C[6a])(OH)	C[6a](C[6a]C[6a,6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]2O)(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a,6a]C[6a])(OH){1|O<2>,3|H<1>,7|C<3>}	C[6a](C[6a]C[6a,6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,4|C<3>}	119.6157	0.414	3	119.6157	0.171	3	119.6157	0.171	3	119.6709	0.199	7	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:4:3:	3:3:3:2:	3:3:1:	C[6a,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]C[6]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6]C[6]H)(OC)	C[6a](C[6a]C[6a,6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]C[6]O)(C[6a]C[6a]H){3|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6]C[6]H)(OC){1|C<4>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a,6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|O<2>,4|C<3>}	119.7955	0.890	2	119.7955	0.793	2	119.7122	0.279	4	119.6709	0.199	7	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:4:3:	3:3:3:2:	3:3:1:	C[6a,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]C[6]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6]C[6]H)(OH)	C[6a](C[6a]C[6a,6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]C[6]O)(C[6a]C[6a]H){3|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6]C[6]H)(OH){1|C<4>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a,6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|O<2>,4|C<3>}	119.6290	0.124	2	119.6290	0.015	2	119.7122	0.279	4	119.6709	0.199	7	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:4:3:	3:3:3:4:	3:3:1:	C[6a]-3:C[6]-4:C[6a]-3:	C[6a]-3:C[6]-3:N[6]-3:C-4:	C[5a,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[5a,6a]H)(C[6]C[6]N[6]C)(C[6a]C[6a]H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]C)(CH3)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C[6])(H)	C[6a](C[6a]C[5a,6a]H)(C[6]C[6]N[6]C)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]C)(CH3){3|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C[6])(H){1|C<4>,2|H<1>,2|N<3>,3|C<3>}	122.8155	0.151	2	122.8155	0.023	2	122.8155	0.023	2	120.3227	8.320	4	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:4:3:	3:3:3:4:	3:3:1:	C[6a]-3:C[6]-4:C[6a]-3:	C[6a]-3:C[6]-3:N[6]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[5a,6a]H)(C[6]C[6]N[6]C)(C[6a]C[6a]H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]C)(CH3)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]C[6])(H)	C[6a](C[6a]C[5a,6a]H)(C[6]C[6]N[6]C)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]C)(CH3){3|C<3>,4|H<1>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]C[6])(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	117.8300	0.287	2	117.8300	0.082	2	117.8300	0.082	2	120.3227	8.320	4	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:4:3:	3:3:4:1:	3:2:1:	C[6a]-3:C[6]-4:C[6a]-3:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:N[6a]-2:Cl-1:	C[6a](C[6a]C[6a,6a]H)(C[6]C[6]N[6]H)(C[6a]N[6a]Cl)	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a,6a])(Cl)	C[6a](C[6a]C[6a,6a]H)(C[6]C[6]N[6]H)(C[6a]N[6a]Cl){3|H<1>,4|C<3>}	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|Cl<1>,1|H<1>,1|N<2>,1|O<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a,6a])(Cl){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	122.1580	0.000	1	122.1580	0.000	1	122.1580	0.000	1	122.1580	0.000	1	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:4:3:	3:3:4:1:	3:3:1:	C[6a,6a]-3:C[6]-4:C[6a]-3:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a,6a]C[6a])(C[6]C[6]CH)(H)	C[6a](C[6a]C[6a,6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[5a,6]C[6]H)(C[6a]C[6a]H){1|C<4>,3|H<1>,6|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a,6a]C[6a])(C[6]C[6]CH)(H){1|C<4>,1|N<3>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	119.8300	0.000	1	119.8300	0.000	1	119.8300	0.000	1	120.3195	2.748	6	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:4:3:	3:3:4:1:	3:3:1:	C[6a,6a]-3:C[6]-4:C[6a]-3:	C[6a]-3:C[5,6]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[5,6]C[6]H)(C[6a]C[6a]H)	C[6](C[6a]C[6a,6a]C[6a])(C[5,6]C[5,6]C[5])(C[6]C[6]CH)(H)	C[6a](C[6a]C[6a,6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[5,6]C[6]H)(C[6a]C[6a]H){2|C<4>,3|H<1>,5|C<3>}	C[6](C[6a]C[6a,6a]C[6a])(C[5,6]C[5,6]C[5])(C[6]C[6]CH)(H){1|N<3>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	119.4780	0.000	1	119.4780	0.000	1	119.4780	0.000	1	120.3195	2.748	6	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:4:3:	3:3:4:1:	3:3:1:	C[6a,6a]-3:C[6]-4:C[6a]-3:	C[6a]-3:N[6]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6]N[6]H)(C[6a]C[6a]H)	C[6](C[6a]C[6a,6a]C[6a])(N[6]C[6,6a]C)(C[6]C[6]CC)(H)	C[6a](C[6a]C[6a,6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6]N[6]H)(C[6a]C[6a]H){2|C<4>,2|H<1>,6|C<3>}	C[6](C[6a]C[6a,6a]C[6a])(N[6]C[6,6a]C)(C[6]C[6]CC)(H){3|H<1>,5|C<3>}	C[6a](C[6a]C[6a,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	119.3670	0.000	1	119.3670	0.000	1	119.3670	0.000	1	120.3195	2.748	6	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:4:3:	3:3:4:1:	3:3:1:	C[6a]-3:C[6]-4:C[6a]-3:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6]C[6]N[6]H)(C[6a]C[6a]H)	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]S[6]HH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])(H)	C[6a](C[6a]C[6a,6a]H)(C[6]C[6]N[6]H)(C[6a]C[6a]H){1|S<2>,3|H<1>,4|C<3>}	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]S[6]HH)(H){2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])(H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	123.0110	0.000	1	123.0110	0.000	1	122.3180	0.960	2	120.3195	2.748	6	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:4:3:	3:3:4:1:	3:3:1:	C[6a]-3:C[6]-4:C[6a]-3:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6]C[6]N[6]H)(C[6a]N[6a]Cl)	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])(H)	C[6a](C[6a]C[6a,6a]H)(C[6]C[6]N[6]H)(C[6a]N[6a]Cl){3|H<1>,4|C<3>}	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|Cl<1>,1|H<1>,1|N<2>,1|O<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])(H){1|Cl<1>,1|C<4>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	121.6250	0.000	1	121.6250	0.000	1	122.3180	0.960	2	120.3195	2.748	6	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:4:3:	3:3:4:1:	3:3:1:	C[6a]-3:C[6]-4:C[6a]-3:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6]C[6]N[6]H)(C[6a]C[6a]H)	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]S[6]HH)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C[6])(H)	C[6a](C[6a]C[6a,6a]H)(C[6]C[6]N[6]H)(C[6a]C[6a]H){1|S<2>,3|H<1>,4|C<3>}	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]S[6]HH)(H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C[6])(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	118.6060	0.000	1	118.6060	0.000	1	118.6060	0.000	1	120.3195	2.748	6	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:4:3:	3:4:2:1:	3:3:1:	C[6a,6a]-3:C[6]-4:C[6a]-3:	C[6a]-3:C[5,6]-4:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[5,6]O[6]H)(C[6a]C[6a]H)	C[6](C[6a]C[6a,6a]C[6a])(C[5,6]C[5,6]2N)(O[6]C[6,6a])(H)	C[6a](C[6a]C[6a,6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[5,6]O[6]H)(C[6a]C[6a]H){1|N<3>,2|C<4>,2|H<1>,4|C<3>}	C[6](C[6a]C[6a,6a]C[6a])(C[5,6]C[5,6]2N)(O[6]C[6,6a])(H){1|N<3>,2|C<4>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	123.3220	0.000	1	123.3220	0.000	1	121.2885	8.270	2	120.8786	1.538	8	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:4:3:	3:4:2:1:	3:3:1:	C[6a,6a]-3:C[6]-4:C[6a]-3:	C[6a]-3:C[5,6]-4:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[5,6]O[6]H)(C[6a]C[6a]H)	C[6](C[6a]C[6a,6a]C[6a])(C[5,6]C[5,6]C[5]N)(O[6]C[6,6a])(H)	C[6a](C[6a]C[6a,6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[5,6]O[6]H)(C[6a]C[6a]H){1|N<3>,2|C<4>,2|H<1>,4|C<3>}	C[6](C[6a]C[6a,6a]C[6a])(C[5,6]C[5,6]C[5]N)(O[6]C[6,6a])(H){1|C<4>,1|N<3>,4|H<1>,5|C<3>}	C[6a](C[6a]C[6a,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	119.2550	0.000	1	119.2550	0.000	1	121.2885	8.270	2	120.8786	1.538	8	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:4:3:	3:4:2:1:	3:3:1:	C[6a,6a]-3:C[6]-4:C[6a]-3:	C[6a]-3:C[5,6]-4:S[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[5,6]S[6]H)(C[6a]C[6a]H)	C[6](C[6a]C[6a,6a]C[6a])(C[5,6]C[5,6]C[5]H)(S[6]C[6])(H)	C[6a](C[6a]C[6a,6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[5,6]S[6]H)(C[6a]C[6a]H){3|C<3>,3|C<4>,3|H<1>}	C[6](C[6a]C[6a,6a]C[6a])(C[5,6]C[5,6]C[5]H)(S[6]C[6])(H){1|S<2>,2|C<4>,3|C<3>,6|H<1>}	C[6a](C[6a]C[6a,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|S<2>,2|C<3>,2|H<1>}	121.2280	0.256	2	121.2280	0.066	2	121.2280	0.066	2	120.8786	1.538	8	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:4:3:	3:4:2:1:	3:3:1:	C[6a,6a]-3:C[6]-4:C[6a]-3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6]O[6]H)(C[6a]C[6a]H)	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6,6]HH)(O[6]C[6])(H)	C[6a](C[6a]C[6a,6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6]O[6]H)(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6,6]HH)(O[6]C[6])(H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.1830	0.000	1	120.1830	0.000	1	120.1830	0.000	1	120.8786	1.538	8	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:4:3:	3:4:2:1:	3:3:1:	C[6a]-3:C[6]-4:C[6a]-3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6]C[6]O[6]H)(C[6a]C[6a]H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])(H)	C[6a](C[6a]C[6a,6a]H)(C[6]C[6]O[6]H)(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H){1|C<4>,3|C<3>,5|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	119.7450	0.000	1	119.7450	0.000	1	119.7450	0.000	1	120.8786	1.538	8	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:4:3:	3:4:2:1:	3:3:1:	C[6a]-3:C[6]-4:C[6a]-3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6]C[6]O[6]H)(C[6a]C[6a]H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C[6])(H)	C[6a](C[6a]C[6a,6a]H)(C[6]C[6]O[6]H)(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H){1|C<4>,3|C<3>,5|H<1>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C[6])(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.9030	0.000	1	120.9030	0.000	1	121.0340	0.034	2	120.8786	1.538	8	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:4:3:	3:4:2:1:	3:3:1:	C[6a]-3:C[6]-4:C[6a]-3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]O)(C[6]C[6]O[6]H)(C[6a]C[6a]H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C[6])(H)	C[6a](C[6a]C[6a,6a]O)(C[6]C[6]O[6]H)(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C[6])(H){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	121.1650	0.000	1	121.1650	0.000	1	121.0340	0.034	2	120.8786	1.538	8	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:4:3:	3:4:2:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6,6a]C[6,6a]O[6])(C[6]C[6]O[6]H)(C[6a]C[6a]O)	C[6](C[6a]C[6,6a]C[6a])(C[6]C[6]HO)(O[6]C[6])(H)	C[6a](C[6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6,6a]C[6,6a]O[6])(C[6]C[6]O[6]H)(C[6a]C[6a]O){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[6](C[6a]C[6,6a]C[6a])(C[6]C[6]HO)(O[6]C[6])(H){2|C<3>,2|C<4>,2|H<1>,3|O<2>}	C[6a](C[6a]C[6,6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>,3|O<2>}	119.8960	0.000	1	119.8960	0.000	1	119.8960	0.000	1	119.0472	2.148	5	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:4:3:	3:4:2:1:	3:3:2:	C[6a,6a]-3:C[6]-4:C[6a]-3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6]O[6]H)(C[6a]C[6a]O)	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6a]C[6]H)(O[6]C[6,6a])(H)	C[6a](C[6a]C[6a,6a]C[6])(C[6a]C[6a]H)(OH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6]O[6]H)(C[6a]C[6a]O){1|C<4>,3|H<1>,5|C<3>}	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6a]C[6]H)(O[6]C[6,6a])(H){1|H<1>,1|O<2>,8|C<3>}	C[6a](C[6a]C[6a,6a]C[6])(C[6a]C[6a]H)(OH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	118.1080	0.822	3	118.1080	0.675	3	118.1080	0.675	3	119.0472	2.148	5	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:4:3:	3:4:2:1:	3:3:2:	C[6a]-3:C[6]-4:C[6a]-3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a,6a]O)(C[6]C[6]O[6]H)(C[6a]C[6a]H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])(OC)	C[6a](C[6a]C[6a,6a]O)(C[6]C[6]O[6]H)(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])(OC){1|C<4>,2|H<1>,2|O<2>,3|C<3>}	121.0160	0.000	1	121.0160	0.000	1	121.0160	0.000	1	119.0472	2.148	5	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:4:3:	3:4:3:1:	3:3:1:	C[6a,6a]-3:C[6]-4:C[6a]-3:	C[6a]-3:C[6,6]-4:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6]N[6]H)(C[6a]C[6a]H)	C[6](C[6a]C[6a,6a]C[6a])(C[6,6]C[6,6]C[6]H)(N[6]C[6,6a]H)(H)	C[6a](C[6a]C[6a,6a]C[6])(C[6a]O[6a]O)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6]N[6]H)(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6](C[6a]C[6a,6a]C[6a])(C[6,6]C[6,6]C[6]H)(N[6]C[6,6a]H)(H){1|C<4>,1|O<2>,4|H<1>,5|C<3>}	C[6a](C[6a]C[6a,6a]C[6])(C[6a]O[6a]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	121.1785	0.004	2	121.1785	0.000	2	121.1785	0.000	2	121.0441	4.273	10	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:4:3:	3:4:3:1:	3:3:1:	C[6a,6a]-3:C[6]-4:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6]N[6]H)(C[6a]C[6a]H)	C[6](C[6a]C[6a,6a]C[6a])(C[6]B[5]C[6]H)(N[6]C[6,6a]C)(H)	C[6a](C[6a]C[6a,6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6]N[6]H)(C[6a]C[6a]H){1|B<3>,1|C<4>,3|H<1>,5|C<3>}	C[6](C[6a]C[6a,6a]C[6a])(C[6]B[5]C[6]H)(N[6]C[6,6a]C)(H){2|O<2>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	122.2890	0.000	1	122.2890	0.000	1	121.8470	0.391	2	121.0441	4.273	10	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:4:3:	3:4:3:1:	3:3:1:	C[6a,6a]-3:C[6]-4:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6]N[6]H)(C[6a]C[6a]H)	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)(N[6]C[6]S)(H)	C[6a](C[6a]C[6a,6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6]N[6]H)(C[6a]C[6a]H){1|C<4>,1|S<4>,4|C<3>,4|H<1>}	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)(N[6]C[6]S)(H){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	121.4050	0.000	1	121.4050	0.000	1	121.8470	0.391	2	121.0441	4.273	10	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:4:3:	3:4:3:1:	3:3:1:	C[6a]-3:C[6]-4:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6]C[6]N[6]H)(C[6a]C[6a]H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])(H)	C[6a](C[6a]C[6a,6a]H)(C[6]C[6]N[6]H)(C[6a]C[6a]H){2|H<1>,3|C<3>,3|C<4>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H){1|C<4>,2|C<3>,6|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])(H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	124.1030	0.000	1	123.7255	0.285	2	122.9360	2.012	3	121.0441	4.273	10	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:4:3:	3:4:3:1:	3:3:1:	C[6a]-3:C[6]-4:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6]C[6]N[6]H)(C[6a]C[6a]H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])(H)	C[6a](C[6a]C[6a,6a]H)(C[6]C[6]N[6]H)(C[6a]C[6a]H){2|H<1>,3|C<3>,3|C<4>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H){2|C<3>,2|C<4>,5|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])(H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	123.3480	0.000	1	123.7255	0.285	2	122.9360	2.012	3	121.0441	4.273	10	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:4:3:	3:4:3:1:	3:3:1:	C[6a]-3:C[6]-4:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6]C[6]N[6]H)(C[6a]C[6a]H)	C[6](C[6a]C[6a]2)(C[6]C[6]HO)(N[6]C[6]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])(H)	C[6a](C[6a]C[6a,6a]H)(C[6]C[6]N[6]H)(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HO)(N[6]C[6]H)(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])(H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	121.3570	0.000	1	121.3570	0.000	1	122.9360	2.012	3	121.0441	4.273	10	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:4:3:	3:4:3:1:	3:3:1:	C[6a]-3:C[6]-4:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6]C[6]N[6]H)(C[6a]C[6a]H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C[6])(H)	C[6a](C[6a]C[6a,6a]H)(C[6]C[6]N[6]H)(C[6a]C[6a]H){2|H<1>,3|C<3>,3|C<4>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H){1|C<4>,2|C<3>,6|H<1>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C[6])(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	117.5840	0.000	1	117.8380	0.129	2	118.5273	1.490	3	121.0441	4.273	10	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:4:3:	3:4:3:1:	3:3:1:	C[6a]-3:C[6]-4:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6]C[6]N[6]H)(C[6a]C[6a]H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C[6])(H)	C[6a](C[6a]C[6a,6a]H)(C[6]C[6]N[6]H)(C[6a]C[6a]H){2|H<1>,3|C<3>,3|C<4>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H){2|C<3>,2|C<4>,5|H<1>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C[6])(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	118.0920	0.000	1	117.8380	0.129	2	118.5273	1.490	3	121.0441	4.273	10	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:4:3:	3:4:3:1:	3:3:1:	C[6a]-3:C[6]-4:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6]C[6]N[6]H)(C[6a]C[6a]H)	C[6](C[6a]C[6a]2)(C[6]C[6]HO)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C[6])(H)	C[6a](C[6a]C[6a,6a]H)(C[6]C[6]N[6]H)(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HO)(N[6]C[6]H)(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C[6])(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	119.9060	0.000	1	119.9060	0.000	1	118.5273	1.490	3	121.0441	4.273	10	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:4:3:	3:4:3:3:	3:3:1:	C[5a,6a]-3:C[6]-4:C[6a]-3:	C[6a]-3:C[3,6]-4:C[6]-3:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6]C[3,6]C[6]C)(C[6a]C[6a]H)	C[6](C[6a]C[5a,6a]C[6a])(C[3,6]C[3,6]C[3]C)(C[6]C[6]O)(CHO)	C[6a](C[6a]C[5a,6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6]C[3,6]C[6]C)(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<1>,2|C<3>,5|C<4>}	C[6](C[6a]C[5a,6a]C[6a])(C[3,6]C[3,6]C[3]C)(C[6]C[6]O)(CHO){3|C<3>,3|C<4>,4|H<1>}	C[6a](C[6a]C[5a,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,4|C<3>}	116.9620	0.000	1	116.9620	0.000	1	116.9620	0.000	1	116.9620	0.000	1	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:4:3:	4:3:2:1:	3:3:1:	C[6a,6a]-3:C[6]-4:C[6a]-3:	C[3x6]-4:C[6a]-3:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[3x6]O[6]H)(C[6a]C[6a]H)	C[6](C[3x6]C[6,6]N[4x6]H)(C[6a]C[6a,6a]C[6a])(O[6]C[6])(H)	C[6a](C[6a]C[6a,6a]C[6])(C[6a]N[6a]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[3x6]O[6]H)(C[6a]C[6a]H){1|N<2>,1|N<4>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[3x6]C[6,6]N[4x6]H)(C[6a]C[6a,6a]C[6a])(O[6]C[6])(H){1|O<1>,3|C<3>,3|H<1>,5|C<4>}	C[6a](C[6a]C[6a,6a]C[6])(C[6a]N[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	120.2660	0.000	1	120.2660	0.000	1	120.2660	0.000	1	120.1824	1.176	10	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:4:3:	4:3:2:1:	3:3:1:	C[6a,6a]-3:C[6]-4:C[6a]-3:	C[5,6,6]-4:C[6a]-3:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[5,6,6]O[6]H)(C[6a]C[6a]H)	C[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6a]C[6a,6a]C[6a])(O[6]C[6])(H)	C[6a](C[6a]C[6a,6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[5,6,6]O[6]H)(C[6a]C[6a]H){3|C<3>,3|C<4>,3|H<1>}	C[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6a]C[6a,6a]C[6a])(O[6]C[6])(H){1|O<2>,3|C<3>,3|C<4>,5|H<1>}	C[6a](C[6a]C[6a,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	121.3830	0.000	1	121.3830	0.000	1	121.3830	0.000	1	120.1824	1.176	10	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:4:3:	4:3:2:1:	3:3:1:	C[6a,6a]-3:C[6]-4:C[6a]-3:	C[5,6]-4:C[6a]-3:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[5,6]O[6]H)(C[6a]C[6a]H)	C[6](C[5,6]C[5,5]C[5,6]N)(C[6a]C[6a,6a]C[6a])(O[6]C[6,6a])(H)	C[6a](C[6a]C[6a,6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[5,6]O[6]H)(C[6a]C[6a]H){1|N<3>,2|C<4>,2|H<1>,4|C<3>}	C[6](C[5,6]C[5,5]C[5,6]N)(C[6a]C[6a,6a]C[6a])(O[6]C[6,6a])(H){1|N<3>,2|C<4>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	119.1180	0.000	1	119.1180	0.000	1	119.1180	0.000	1	120.1824	1.176	10	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:4:3:	4:3:2:1:	3:3:1:	C[6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6]C[6]O[6]H)(C[6a]C[6a]H)	C[6](C[6]C[6,6a]BrH)(C[6a]C[6a]2)(O[6]C[6])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])(H)	C[6a](C[6a]C[6a,6a]H)(C[6]C[6]O[6]H)(C[6a]C[6a]H){1|Br<1>,2|H<1>,4|C<3>}	C[6](C[6]C[6,6a]BrH)(C[6a]C[6a]2)(O[6]C[6])(H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	119.2920	0.000	1	119.2920	0.000	1	120.4857	2.116	3	120.1824	1.176	10	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:4:3:	4:3:2:1:	3:3:1:	C[6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6]C[6]O[6]H)(C[6a]C[6a]H)	C[6](C[6]C[6]SeH)(C[6a]C[6a]2)(O[6]C[6])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])(H)	C[6a](C[6a]C[6a,6a]H)(C[6]C[6]O[6]H)(C[6a]C[6a]H){1|Se<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]SeH)(C[6a]C[6a]2)(O[6]C[6])(H){1|C<4>,2|C<3>,6|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	120.0590	0.000	1	120.0590	0.000	1	120.4857	2.116	3	120.1824	1.176	10	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:4:3:	4:3:2:1:	3:3:1:	C[6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6]C[6]O[6]H)(C[6a]C[6a]H)	C[6](C[6]N[5,6]HH)(C[6a]C[6a]2)(O[6]B[6])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])(H)	C[6a](C[6a]C[6a,6a]H)(C[6]C[6]O[6]H)(C[6a]C[6a]H){1|B<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]N[5,6]HH)(C[6a]C[6a]2)(O[6]B[6])(H){2|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	122.1060	0.000	1	122.1060	0.000	1	120.4857	2.116	3	120.1824	1.176	10	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:4:3:	4:3:2:1:	3:3:1:	C[6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6]C[6]O[6]H)(C[6a]C[6a]H)	C[6](C[6]C[6,6a]BrH)(C[6a]C[6a]2)(O[6]C[6])(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C[6])(H)	C[6a](C[6a]C[6a,6a]H)(C[6]C[6]O[6]H)(C[6a]C[6a]H){1|Br<1>,2|H<1>,4|C<3>}	C[6](C[6]C[6,6a]BrH)(C[6a]C[6a]2)(O[6]C[6])(H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C[6])(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	121.1080	0.000	1	121.1080	0.000	1	119.9000	1.059	4	120.1824	1.176	10	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:4:3:	4:3:2:1:	3:3:1:	C[6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6]C[6]O[6]H)(C[6a]C[6a]H)	C[6](C[6]C[6]SeH)(C[6a]C[6a]2)(O[6]C[6])(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C[6])(H)	C[6a](C[6a]C[6a,6a]H)(C[6]C[6]O[6]H)(C[6a]C[6a]H){1|Se<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]SeH)(C[6a]C[6a]2)(O[6]C[6])(H){1|C<4>,2|C<3>,6|H<1>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C[6])(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.3370	0.000	1	120.3370	0.000	1	119.9000	1.059	4	120.1824	1.176	10	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:4:3:	4:3:2:1:	3:3:1:	C[6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]H)(C[6]C[6]O[6]H)(C[6a]C[6a]H)	C[6](C[6]N[5,6]HH)(C[6a]C[6a]2)(O[6]B[6])(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C[6])(H)	C[6a](C[6a]C[6a,6a]H)(C[6]C[6]O[6]H)(C[6a]C[6a]H){1|B<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]N[5,6]HH)(C[6a]C[6a]2)(O[6]B[6])(H){2|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C[6])(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	118.7840	0.000	1	118.7840	0.000	1	119.9000	1.059	4	120.1824	1.176	10	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:4:3:	4:3:2:1:	3:3:1:	C[6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a,6a]O)(C[6]C[6]O[6]H)(C[6a]C[6a]H)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(O[6]C[6,6a])(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C[6])(H)	C[6a](C[6a]C[6a,6a]O)(C[6]C[6]O[6]H)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|O<2>,2|H<1>,7|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C[6])(H){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	119.3710	0.000	1	119.3710	0.000	1	119.9000	1.059	4	120.1824	1.176	10	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:4:3:	4:3:2:1:	3:3:2:	C[6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a,6a]O)(C[6]C[6]O[6]H)(C[6a]C[6a]H)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(O[6]C[6,6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])(OH)	C[6a](C[6a]C[6a,6a]O)(C[6]C[6]O[6]H)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|O<2>,2|H<1>,7|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])(OH){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	121.6000	0.000	1	121.6000	0.000	1	121.6000	0.000	1	121.6000	0.000	1	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:4:3:	4:4:3:1:	3:3:1:	C[6a]-3:C[6]-4:C[6a]-3:	C[5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[5,6a]H)(C[6]C[5,6]2H)(C[6a]C[6a]H)	C[6](C[5,6]C[5,6]N[5]H)(C[5,6]C[5,6]O[5]H)(C[6a]C[6a]2)(H)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[6])(H)	C[6a](C[6a]C[5,6a]H)(C[6]C[5,6]2H)(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,2|O<2>,3|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[5,6]C[5,6]O[5]H)(C[6a]C[6a]2)(H){1|O<2>,3|C<3>,4|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[6])(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	119.2720	0.000	1	119.2720	0.000	1	119.2720	0.000	1	120.0845	1.320	2	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	3:4:3:	4:4:3:1:	3:3:1:	C[6a]-3:C[6]-4:C[6a]-3:	C[5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[5,6a]H)(C[6]C[5,6]2H)(C[6a]C[6a]H)	C[6](C[5,6]C[5,6]N[5]H)(C[5,6]C[5,6]O[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[5,6a]H)(H)	C[6a](C[6a]C[5,6a]H)(C[6]C[5,6]2H)(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,2|O<2>,3|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[5,6]C[5,6]O[5]H)(C[6a]C[6a]2)(H){1|O<2>,3|C<3>,4|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[5,6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	120.8970	0.000	1	120.8970	0.000	1	120.8970	0.000	1	120.0845	1.320	2	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:2:3:	3:3:3:1:	3:3:1:	C[6]-4:N[6a]-2:C[6a]-3:	N[5,6]-3:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]N[5,6]N[6]H)(N[6a]C[6a,6a])(C[6a]C[6a]H)	C[6](N[5,6]C[5,6a]C[5,6])(C[6a]C[6a]N[6a])(N[6]C[6,6a]H)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]C[6])(H)	C[6a](C[6]N[5,6]N[6]H)(N[6a]C[6a,6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6](N[5,6]C[5,6a]C[5,6])(C[6a]C[6a]N[6a])(N[6]C[6,6a]H)(H){1|H<1>,1|N<3>,6|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]C[6])(H){1|H<1>,2|C<3>,2|N<3>}	122.3030	0.000	1	122.3030	0.000	1	122.3030	0.000	1	122.3030	0.000	1	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:2:	3:2:2:1:	3:3:1:	C[6]-4:C[6a]-3:N[6a]-2:	C[6a]-3:O[6]-2:S[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]O[6]S[6]H)(C[6a]C[6a]H)(N[6a]C[6a])	C[6](C[6a]C[6a]N[6a])(O[6]C[6])(S[6]C[6])(H)	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]O[6]S[6]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6a]C[6a]N[6a])(O[6]C[6])(S[6]C[6])(H){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,1|S<2>,2|H<1>}	122.2170	0.000	1	122.2170	0.000	1	122.2170	0.000	1	122.2170	0.000	1	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:2:	3:2:3:4:	3:3:1:	C[6]-4:C[6a]-3:N[6a]-2:	C[6a]-3:N[6]-2:C[6]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]C)(C[6a]C[6a]H)(N[6a]C[6a])	C[6](C[6a]C[6a]N[6a])(N[6]C[6,6a])(C[6]C[6]H)(CH3)	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]C)(C[6a]C[6a]H)(N[6a]C[6a]){1|Br<1>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]N[6a])(N[6]C[6,6a])(C[6]C[6]H)(CH3){1|H<1>,5|C<3>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	124.6240	0.000	1	124.6240	0.000	1	124.6240	0.000	1	124.6240	0.000	1	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:2:	3:2:4:1:	3:3:1:	C[6]-4:C[6a]-3:N[6a]-2:	C[6a]-3:O[6]-2:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)(N[6a]C[6a])	C[6](C[6a]C[6a]N[6a])(O[6]C[6,6a])(C[6]C[6]HH)(H)	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a]N[6a])(O[6]C[6,6a])(C[6]C[6]HH)(H){2|H<1>,5|C<3>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	123.2245	0.466	2	123.2245	0.217	2	122.8213	0.596	3	122.8213	0.596	3	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:2:	3:2:4:1:	3:3:1:	C[6]-4:C[6a]-3:N[6a]-2:	C[6a]-3:O[6]-2:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)(N[6a]C[6a])	C[6](C[6a]C[6a]N[6a])(O[6]C[6,6a])(C[6]C[6]HS)(H)	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|Br<1>,1|S<4>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]N[6a])(O[6]C[6,6a])(C[6]C[6]HS)(H){1|H<1>,1|O<1>,4|C<3>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	122.0150	0.000	1	122.0150	0.000	1	122.8213	0.596	3	122.8213	0.596	3	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:2:	3:3:3:1:	3:2:1:	C[6]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6a]-3:N[6a]-2:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]N[6a]H)(N[6a]C[6a])	C[6](C[6a]C[6a]N[6a])(C[6]C[6]C)(N[6]C[6]C)(H)	C[6a](C[6a]N[6a]C[6])(N[6a]C[6a])(H)	C[6a](C[6]C[6]N[6]H)(C[6a]N[6a]H)(N[6a]C[6a]){1|H<1>,2|C<4>,3|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]C)(N[6]C[6]C)(H){1|C<4>,1|N<2>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]N[6a]C[6])(N[6a]C[6a])(H){1|N<3>,2|C<3>,2|H<1>}	121.2470	0.000	1	121.2470	0.000	1	121.2470	0.000	1	121.2470	0.000	1	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:2:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:N[6a]-2:	C[6,6]-3:C[6,6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]2H)(C[6a]C[6a]H)(N[6a]C[6a])	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]N[6a])(H)	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]2H)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|H<1>,5|C<3>}	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]N[6a])(H){1|H<1>,1|O<2>,2|C<3>,2|O<1>,4|C<4>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	118.9220	0.071	2	119.9990	1.549	4	119.9990	1.549	4	119.7799	3.615	17	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:2:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:N[6a]-2:	C[6,6]-3:C[6,6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]2H)(C[6a]C[6a]H)(N[6a]C[6a])	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]N[6a])(H)	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]2H)(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,5|C<3>}	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]N[6a])(H){1|H<1>,1|O<2>,2|C<3>,2|O<1>,4|C<4>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	121.0760	0.030	2	119.9990	1.549	4	119.9990	1.549	4	119.7799	3.615	17	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:2:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:N[6a]-2:	C[6,6a]-3:N[5,6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]N[5,6]H)(C[6a]C[6a]H)(N[6a]C[6a])	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]N[6a])(H)	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]N[5,6]H)(C[6a]C[6a]H)(N[6a]C[6a]){2|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]N[6a])(H){1|O<2>,2|C<4>,4|H<1>,5|C<3>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	123.0880	0.000	1	123.0880	0.000	1	123.0880	0.000	1	119.7799	3.615	17	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:2:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:Br-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]Br)(N[6a]C[6a])	C[6](C[6a]C[6a]N[6a])(C[6]C[6]C)(N[6]C[6]C)(H)	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(Br)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]Br)(N[6a]C[6a]){2|C<4>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]C)(N[6]C[6]C)(H){1|Br<1>,1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(Br){1|Br<1>,1|H<1>,1|N<3>,2|C<3>}	120.8350	0.000	1	120.8350	0.000	1	120.8350	0.000	1	119.7799	3.615	17	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:2:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(N[6a]C[6a])	C[6](C[6a]C[6a]N[6a])(C[6]C[6]C)(N[6]C[6]C)(H)	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]Br)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|Br<1>,1|H<1>,2|C<4>,3|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]C)(N[6]C[6]C)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]Br)(H){1|N<3>,2|C<3>,2|H<1>}	118.8775	0.261	2	118.8775	0.068	2	118.2334	0.660	8	119.7799	3.615	17	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:2:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(N[6a]C[6a])	C[6](C[6a]C[6a]N[6a])(C[6]C[6]C)(N[6]C[6]C)(H)	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]C)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,3|C<3>,3|C<4>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]C)(N[6]C[6]C)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]C)(H){1|N<3>,2|C<3>,2|H<1>}	118.8920	0.000	1	118.8920	0.000	1	118.2334	0.660	8	119.7799	3.615	17	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:2:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(N[6a]C[6a])	C[6](C[6a]C[6a]N[6a])(C[6]C[6]C)(N[6]C[6]C)(H)	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]Cl)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|Cl<1>,1|H<1>,2|C<4>,3|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]C)(N[6]C[6]C)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]Cl)(H){1|N<3>,2|C<3>,2|H<1>}	119.0850	0.000	1	119.0850	0.000	1	118.2334	0.660	8	119.7799	3.615	17	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:2:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(N[6a]C[6a])	C[6](C[6a]C[6a]N[6a])(C[6]C[6]C)(N[6]C[6]C)(H)	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]O)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]C)(N[6]C[6]C)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]O)(H){1|N<3>,2|C<3>,2|H<1>}	117.4090	0.458	3	117.4090	0.210	3	118.2334	0.660	8	119.7799	3.615	17	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:2:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(N[6a]C[6a])	C[6](C[6a]C[6a]N[6a])(C[6]C[6]C)(N[6]C[6]C)(H)	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]S)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|S<2>,2|C<4>,3|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]C)(N[6]C[6]C)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]S)(H){1|N<3>,2|C<3>,2|H<1>}	117.9080	0.000	1	117.9080	0.000	1	118.2334	0.660	8	119.7799	3.615	17	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:2:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:N[6a]-2:	N[5a,6]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]N[5a,6]C[6]H)(C[6a]C[6a]H)(N[6a]C[6a])	C[6](N[5a,6]C[5a,6]N[5a])(C[6a]C[6a]N[6a])(C[6]C[6]C)(H)	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]N[5a,6]C[6]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,2|H<1>,4|C<3>}	C[6](N[5a,6]C[5a,6]N[5a])(C[6a]C[6a]N[6a])(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>,2|N<2>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	121.9050	0.000	1	121.9050	0.000	1	121.9050	0.000	1	119.7799	3.615	17	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:2:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:N[6a]-2:	N[5a,6]-3:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]N[5a,6]N[6]H)(C[6a]C[6a]H)(N[6a]C[6a])	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]N[6a])(N[6]C[6,6a]H)(H)	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]N[5a,6]N[6]H)(C[6a]C[6a]H)(N[6a]C[6a]){3|H<1>,4|C<3>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]N[6a])(N[6]C[6,6a]H)(H){1|H<1>,1|N<2>,6|C<3>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	122.0200	0.000	1	122.0200	0.000	1	122.0200	0.000	1	119.7799	3.615	17	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:2:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:N[6a]-2:	N[6,6]-3:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]N[6,6]N[6]H)(C[6a]C[6a]H)(N[6a]C[6a])	C[6](N[6,6]C[6,6]C[6])(C[6a]C[6a]N[6a])(N[6]C[6,6a]H)(H)	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]N[6,6]N[6]H)(C[6a]C[6a]H)(N[6a]C[6a]){3|H<1>,4|C<3>}	C[6](N[6,6]C[6,6]C[6])(C[6a]C[6a]N[6a])(N[6]C[6,6a]H)(H){2|H<1>,6|C<3>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	122.5480	0.000	1	122.5480	0.000	1	122.5480	0.000	1	119.7799	3.615	17	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:2:	3:3:3:2:	3:3:1:	C[6]-4:C[6a]-3:N[6a]-2:	N[6]-3:C[6a]-3:C[6]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]O)(C[6a]C[6a]H)(N[6a]C[6a])	C[6](N[6]C[6,6a]C[6a])(C[6a]C[6a]N[6a])(C[6]C[6]N[6])(OC)	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]O)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|H<1>,4|C<3>}	C[6](N[6]C[6,6a]C[6a])(C[6a]C[6a]N[6a])(C[6]C[6]N[6])(OC){1|Zn<4>,1|H<1>,1|N<3>,7|C<3>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	112.8510	0.000	1	112.8510	0.000	1	112.8510	0.000	1	112.8510	0.000	1	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:2:	3:3:3:3:	3:3:1:	C[6]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:N[6]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6a]N[6]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(N[6]C[6]H)2	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6a]N[6]2)(C[6a]C[6a]H)(N[6a]C[6a]){2|C<4>,3|C<3>,4|H<1>}	C[6](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(N[6]C[6]H)2{1|C<4>,4|C<3>,7|H<1>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	122.1830	0.000	1	122.1830	0.000	1	121.7616	0.396	5	121.7616	0.396	5	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:2:	3:3:3:3:	3:3:1:	C[6]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:N[6]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6a]N[6]2)(C[6a]C[6a]H)(N[6a]C[6a])	C[6](C[6a]C[6a]N[6a])2(N[6]C[6]H)2	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6a]N[6]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6a]C[6a]N[6a])2(N[6]C[6]H)2{1|C<4>,4|C<3>,6|H<1>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	121.6562	0.674	4	121.6562	0.454	4	121.7616	0.396	5	121.7616	0.396	5	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:2:	3:3:3:4:	3:3:1:	C[6]-4:C[6a]-3:N[6a]-2:	C[5a,6]-3:C[6a]-3:N[6]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5a,6]N[6]C)(C[6a]C[6a]H)(N[6a]C[6a])	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]N[6a])(N[6]C[6]O)(CH3)	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5a,6]N[6]C)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]N[6a])(N[6]C[6]O)(CH3){1|C<4>,4|C<3>,4|H<1>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	121.9950	0.000	1	121.9950	0.000	1	121.9950	0.000	1	121.3533	6.172	3	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:2:	3:3:3:4:	3:3:1:	C[6]-4:C[6a]-3:N[6a]-2:	N[5,6]-3:C[6a]-3:N[6]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]N[5,6]N[6]C)(C[6a]C[6a]H)(N[6a]C[6a])	C[6](N[5,6]C[5,6a]C[5,6])(C[6a]C[6a]N[6a])(N[6]C[6,6a]H)(CH3)	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]N[5,6]N[6]C)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,4|C<3>}	C[6](N[5,6]C[5,6a]C[5,6])(C[6a]C[6a]N[6a])(N[6]C[6,6a]H)(CH3){1|H<1>,1|N<3>,6|C<3>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,2|N<3>}	118.6110	0.000	1	118.6110	0.000	1	118.6110	0.000	1	121.3533	6.172	3	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:2:	3:3:3:4:	3:3:1:	C[6]-4:C[6a]-3:N[6a]-2:	N[5a,6]-3:C[6a]-3:N[6]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]N[5a,6]N[6]C)(C[6a]C[6a]H)(N[6a]C[6a])	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]N[6a])(N[6]C[6,6a]H)(CH3)	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]N[5a,6]N[6]C)(C[6a]C[6a]H)(N[6a]C[6a]){3|H<1>,4|C<3>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]N[6a])(N[6]C[6,6a]H)(CH3){1|H<1>,1|N<2>,6|C<3>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,2|N<3>}	123.4540	0.000	1	123.4540	0.000	1	123.4540	0.000	1	121.3533	6.172	3	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:2:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:N[6a]-2:	C[6a]-3:N[6]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(N[6a]C[6a])	C[6](C[6a]C[6a]N[6a])(N[6]C[6,6a]S)(C[6]C[6]HH)(H)	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|S<4>,3|C<3>,3|H<1>}	C[6](C[6a]C[6a]N[6a])(N[6]C[6,6a]S)(C[6]C[6]HH)(H){3|H<1>,4|C<3>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	122.3560	0.000	1	122.3560	0.000	1	122.3560	0.000	1	122.3560	0.000	1	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:2:	3:4:3:1:	3:2:1:	C[6]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:N[6a]-2:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]N[6a]H)(N[6a]C[6a])	C[6](C[6a]C[6a]N[6a])(C[6]C[6]CH)(N[6]C[6]C)(H)	C[6a](C[6a]N[6a]C[6])(N[6a]C[6a])(H)	C[6a](C[6]C[6]N[6]H)(C[6a]N[6a]H)(N[6a]C[6a]){2|C<4>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]CH)(N[6]C[6]C)(H){1|N<2>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]N[6a]C[6])(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	120.0200	0.000	1	120.0200	0.000	1	120.0200	0.000	1	120.0200	0.000	1	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:2:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6a]-3:Br-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]Br)(N[6a]C[6a])	C[6](C[6a]C[6a]N[6a])(C[6]C[6]CH)(N[6]C[6]C)(H)	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(Br)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]Br)(N[6a]C[6a]){2|C<4>,3|C<3>,3|H<1>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]CH)(N[6]C[6]C)(H){1|Br<1>,1|H<1>,1|O<2>,4|C<3>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(Br){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	121.8760	0.000	1	121.8760	0.000	1	121.8760	0.000	1	120.7174	2.280	15	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:2:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(N[6a]C[6a])	C[6](C[6a]C[6a]N[6a])(C[6]C[6,6a]CH)(N[6]C[6]C)(H)	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,3|H<1>,4|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6,6a]CH)(N[6]C[6]C)(H){1|H<1>,1|O<1>,4|C<3>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	123.4945	0.885	2	123.4945	0.783	2	120.6346	2.345	14	120.7174	2.280	15	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:2:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(N[6a]C[6a])	C[6](C[6a]C[6a]N[6a])(C[6]C[6]CH)(N[6]C[6]C)(H)	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]Br)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|Br<1>,2|C<4>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]CH)(N[6]C[6]C)(H){1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]Br)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	119.5830	0.768	2	119.5830	0.590	2	120.6346	2.345	14	120.7174	2.280	15	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:2:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(N[6a]C[6a])	C[6](C[6a]C[6a]N[6a])(C[6]C[6]CH)(N[6]C[6]C)(H)	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]C)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,3|C<3>,3|C<4>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]CH)(N[6]C[6]C)(H){1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	120.4370	0.000	1	120.4370	0.000	1	120.6346	2.345	14	120.7174	2.280	15	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:2:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(N[6a]C[6a])	C[6](C[6a]C[6a]N[6a])(C[6]C[6]CH)(N[6]C[6]C)(H)	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]Cl)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|Cl<1>,2|C<4>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]CH)(N[6]C[6]C)(H){1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]Cl)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	119.6310	0.000	1	119.6310	0.000	1	120.6346	2.345	14	120.7174	2.280	15	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:2:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(N[6a]C[6a])	C[6](C[6a]C[6a]N[6a])(C[6]C[6]CH)(N[6]C[6]C)(H)	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]O)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]CH)(N[6]C[6]C)(H){1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	119.3807	0.733	3	119.3807	0.537	3	120.6346	2.345	14	120.7174	2.280	15	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:2:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(N[6a]C[6a])	C[6](C[6a]C[6a]N[6a])(C[6]C[6]CH)(N[6]C[6]C)(H)	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]S)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|S<2>,2|C<4>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]CH)(N[6]C[6]C)(H){1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]S)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	119.4780	0.000	1	119.4780	0.000	1	120.6346	2.345	14	120.7174	2.280	15	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:2:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(N[6a]C[6a])	C[6](C[6a]C[6a]N[6a])(C[6]S[6]CH)(N[6]C[6]H)(H)	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|S<4>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a]N[6a])(C[6]S[6]CH)(N[6]C[6]H)(H){1|C<4>,2|H<1>,2|O<1>,3|C<3>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	121.2605	0.516	4	121.2605	0.266	4	120.6346	2.345	14	120.7174	2.280	15	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:2:	3:4:4:1:	3:3:1:	C[6]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6]-4:N[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(N[6a]C[6a])	C[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)(N[6]C[6]HH)(H)	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,3|C<4>,5|H<1>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)(N[6]C[6]HH)(H){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<4>,2|H<1>}	123.7170	0.000	1	123.7170	0.000	1	123.7170	0.000	1	123.7170	0.000	1	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:2:	3:4:4:4:	3:3:1:	C[6]-4:C[6a]-3:N[6a]-2:	C[6a]-3:C[6]-4:N[6]-4:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]C)(C[6a]C[6a]H)(N[6a]C[6a])	C[6](C[6a]C[6a]N[6a])(C[6]C[6a]N[6]C)(N[6]C[6]HH)(CH3)	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]C)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<4>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6a]N[6]C)(N[6]C[6]HH)(CH3){1|C<4>,1|N<2>,3|C<3>,5|H<1>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<4>,2|C<4>}	121.9040	0.436	2	121.9040	0.190	2	121.9040	0.190	2	121.9040	0.190	2	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:2:	4:3:2:1:	3:3:1:	C[6]-4:C[6a]-3:N[6a]-2:	C[5,6,6]-4:C[6a]-3:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6,6]O[6]H)(C[6a]C[6a]H)(N[6a]C[6a])	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6a]C[6a]N[6a])(O[6]C[6,6a])(H)	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6,6]O[6]H)(C[6a]C[6a]H)(N[6a]C[6a]){2|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6a]C[6a]N[6a])(O[6]C[6,6a])(H){3|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	122.6400	0.000	1	122.6400	0.000	1	122.6400	0.000	1	122.6400	0.000	1	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:2:	4:3:3:1:	3:2:1:	C[6]-4:C[6a]-3:N[6a]-2:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	C[6a]-3:N[6a]-2:H-1:	C[6a](C[6]C[6,6]N[6]H)(C[6a]N[6a]H)(N[6a]C[6a])	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]N[6a])(N[6]C[6]C)(H)	C[6a](C[6a]N[6a]C[6])(N[6a]C[6a])(H)	C[6a](C[6]C[6,6]N[6]H)(C[6a]N[6a]H)(N[6a]C[6a]){1|H<1>,3|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]N[6a])(N[6]C[6]C)(H){1|C<4>,1|N<2>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[6a](C[6a]N[6a]C[6])(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	121.8995	1.200	2	121.8995	1.440	2	121.8995	1.440	2	121.8995	1.440	2	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:2:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:N[6a]-2:	C[5,6]-4:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]N[6]H)(C[6a]C[6a]H)(N[6a]C[6a])	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]N[6a])(N[6]C[6,6a]H)(H)	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]N[6]H)(C[6a]C[6a]H)(N[6a]C[6a]){2|C<3>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]N[6a])(N[6]C[6,6a]H)(H){4|H<1>,6|C<3>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	122.5530	0.000	1	122.5530	0.000	1	122.5530	0.000	1	121.5560	1.051	21	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:2:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:N[6a]-2:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:Br-1:	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]Br)(N[6a]C[6a])	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]N[6a])(N[6]C[6]C)(H)	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(Br)	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]Br)(N[6a]C[6a]){2|H<1>,3|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]N[6a])(N[6]C[6]C)(H){1|Br<1>,1|C<4>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(Br){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	123.2625	1.493	2	123.2625	2.228	2	123.2625	2.228	2	121.5560	1.051	21	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:2:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:N[6a]-2:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)(N[6a]C[6a])	C[6](C[6,6]C[5,6,6]C[6]C)(C[6a]C[6a]N[6a])(N[6]C[5,6]C)(H)	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]O)(H)	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|O<2>,2|C<3>,4|C<4>}	C[6](C[6,6]C[5,6,6]C[6]C)(C[6a]C[6a]N[6a])(N[6]C[5,6]C)(H){1|C<4>,1|O<2>,2|N<3>,3|C<3>,4|H<1>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	121.1980	0.000	1	121.1980	0.000	1	121.3109	0.641	18	121.5560	1.051	21	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:2:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:N[6a]-2:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)(N[6a]C[6a])	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]N[6a])(N[6]C[6]C)(H)	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]C)(H)	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,3|C<3>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]N[6a])(N[6]C[6]C)(H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,4|H<1>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	121.5110	0.000	1	121.5110	0.000	1	121.3109	0.641	18	121.5560	1.051	21	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:2:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:N[6a]-2:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)(N[6a]C[6a])	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]N[6a])(N[6]C[6]C)(H)	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]Cl)(H)	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|Cl<1>,1|H<1>,2|C<3>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]N[6a])(N[6]C[6]C)(H){1|C<4>,1|N<3>,1|O<2>,3|C<3>,5|H<1>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]Cl)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	121.4655	0.009	2	121.5600	0.014	4	121.3109	0.641	18	121.5560	1.051	21	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:2:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:N[6a]-2:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)(N[6a]C[6a])	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]N[6a])(N[6]C[6]C)(H)	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]Cl)(H)	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|Cl<1>,1|H<1>,3|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]N[6a])(N[6]C[6]C)(H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,4|H<1>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]Cl)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	121.6545	0.073	2	121.5600	0.014	4	121.3109	0.641	18	121.5560	1.051	21	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:2:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:N[6a]-2:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)(N[6a]C[6a])	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]N[6a])(N[6]C[6]C)(H)	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)(N[6a]C[6a]){2|C<3>,2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]N[6a])(N[6]C[6]C)(H){1|C<4>,1|N<3>,1|O<2>,3|C<3>,5|H<1>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	121.1665	0.049	2	121.6770	0.456	8	121.3109	0.641	18	121.5560	1.051	21	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:2:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:N[6a]-2:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)(N[6a]C[6a])	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]N[6a])(N[6]C[6]C)(H)	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,3|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]N[6a])(N[6]C[6]C)(H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,4|H<1>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	121.8472	0.707	6	121.6770	0.456	8	121.3109	0.641	18	121.5560	1.051	21	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:2:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:N[6a]-2:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)(N[6a]C[6a])	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]N[6a])(N[6]C[6]C)(H)	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]O)(H)	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|O<2>,2|C<3>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]N[6a])(N[6]C[6]C)(H){1|C<4>,1|N<3>,1|O<2>,3|C<3>,5|H<1>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	119.5640	0.052	2	119.5640	0.003	2	121.3109	0.641	18	121.5560	1.051	21	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:2:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:N[6a]-2:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)(N[6a]C[6a])	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]N[6a])(N[6]C[6]C)(H)	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]S)(H)	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|S<2>,3|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]N[6a])(N[6]C[6]C)(H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,4|H<1>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]S)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	121.0520	0.221	2	121.0520	0.049	2	121.3109	0.641	18	121.5560	1.051	21	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:2:	4:3:3:1:	3:3:2:	C[6]-4:C[6a]-3:O[6a]-2:	C[4x6]-4:C[5a,6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6]C[5a,6]C[4x6]H)(C[6a]C[6a]O)(O[6a]C[6a])	C[6](C[4x6]C[3x6]C[6,6]N[6,6])(C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]O[6a])(H)	C[6a](C[6a]O[6a]C[6])(C[6a]C[6a]O)(OH)	C[6a](C[6]C[5a,6]C[4x6]H)(C[6a]C[6a]O)(O[6a]C[6a]){1|N<3>,1|O<1>,2|C<4>,4|C<3>}	C[6](C[4x6]C[3x6]C[6,6]N[6,6])(C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]O[6a])(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>,2|N<3>,5|C<3>}	C[6a](C[6a]O[6a]C[6])(C[6a]C[6a]O)(OH){1|C<4>,2|C<3>,2|H<1>}	122.1850	0.000	1	122.1850	0.000	1	122.1850	0.000	1	122.1850	0.000	1	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:2:	4:3:3:1:	3:3:4:	C[6]-4:C[6a]-3:N[6a]-2:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]C)(N[6a]C[6a])	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]N[6a])(N[6]C[6]C)(H)	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(CH3)	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]C)(N[6a]C[6a]){2|H<1>,3|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]N[6a])(N[6]C[6]C)(H){1|N<3>,1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	120.7955	0.370	2	120.7955	0.137	2	120.7955	0.137	2	120.7955	0.137	2	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:2:	4:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:N[6a]-2:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)(N[6a]C[6a])	C[6](C[5,6]C[5]C[6]O[5])(C[6a]C[6a]N[6a])(C[6]C[6]CH)(H)	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|Br<1>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5]C[6]O[5])(C[6a]C[6a]N[6a])(C[6]C[6]CH)(H){2|C<4>,2|H<1>,2|O<1>,5|C<3>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	122.3780	0.000	1	122.3780	0.000	1	121.1608	0.689	8	121.1608	0.689	8	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:2:	4:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:N[6a]-2:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)(N[6a]C[6a])	C[6](C[5,6]C[5]C[6]O[5])(C[6a]C[6a]N[6a])(C[6]C[6]HH)(H)	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|Br<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5]C[6]O[5])(C[6a]C[6a]N[6a])(C[6]C[6]HH)(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>,5|C<3>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	121.0607	1.041	3	120.9869	0.521	7	121.1608	0.689	8	121.1608	0.689	8	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:2:	4:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:N[6a]-2:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)(N[6a]C[6a])	C[6](C[5,6]C[5]C[6]O[5])(C[6a]C[6a]N[6a])(C[6]C[6]HH)(H)	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|Cl<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5]C[6]O[5])(C[6a]C[6a]N[6a])(C[6]C[6]HH)(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>,5|C<3>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	120.2440	0.000	1	120.9869	0.521	7	121.1608	0.689	8	121.1608	0.689	8	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:2:	4:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:N[6a]-2:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)(N[6a]C[6a])	C[6](C[5,6]C[5]C[6]O[5])(C[6a]C[6a]N[6a])(C[6]C[6]HH)(H)	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5]C[6]O[5])(C[6a]C[6a]N[6a])(C[6]C[6]HH)(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>,5|C<3>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	121.0980	0.526	2	120.9869	0.521	7	121.1608	0.689	8	121.1608	0.689	8	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:2:	4:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:N[6a]-2:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)(N[6a]C[6a])	C[6](C[5,6]C[5]C[6]O[5])(C[6a]C[6a]N[6a])(C[6]C[6]HH)(H)	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5]C[6]O[5])(C[6a]C[6a]N[6a])(C[6]C[6]HH)(H){2|C<4>,2|H<1>,2|O<1>,5|C<3>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	121.2860	0.000	1	120.9869	0.521	7	121.1608	0.689	8	121.1608	0.689	8	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:2:	4:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:N[6a]-2:	C[5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]2H)(C[6a]C[6a]H)(N[6a]C[6a])	C[6](C[5,6]C[5]C[6]O[5])2(C[6a]C[6a]N[6a])(H)	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]2H)(C[6a]C[6a]H)(N[6a]C[6a]){1|Br<1>,1|H<1>,2|C<4>,2|O<2>,3|C<3>}	C[6](C[5,6]C[5]C[6]O[5])2(C[6a]C[6a]N[6a])(H){1|O<2>,2|C<4>,2|H<1>,2|O<1>,7|C<3>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	120.0303	0.283	3	121.6137	4.777	8	121.6137	4.777	8	121.6137	4.777	8	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:2:	4:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:N[6a]-2:	C[5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]2H)(C[6a]C[6a]H)(N[6a]C[6a])	C[6](C[5,6]C[5]C[6]O[5])2(C[6a]C[6a]N[6a])(H)	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]2H)(C[6a]C[6a]H)(N[6a]C[6a]){1|Br<1>,1|H<1>,2|C<4>,2|O<2>,3|C<3>}	C[6](C[5,6]C[5]C[6]O[5])2(C[6a]C[6a]N[6a])(H){2|C<4>,2|H<1>,3|O<1>,7|C<3>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	124.4930	0.000	1	121.6137	4.777	8	121.6137	4.777	8	121.6137	4.777	8	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:2:	4:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:N[6a]-2:	C[5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]2H)(C[6a]C[6a]H)(N[6a]C[6a])	C[6](C[5,6]C[5]C[6]O[5])2(C[6a]C[6a]N[6a])(H)	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]2H)(C[6a]C[6a]H)(N[6a]C[6a]){1|Cl<1>,1|H<1>,2|C<4>,2|O<2>,3|C<3>}	C[6](C[5,6]C[5]C[6]O[5])2(C[6a]C[6a]N[6a])(H){1|O<2>,2|C<4>,2|H<1>,2|O<1>,7|C<3>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	120.6070	0.000	1	121.6137	4.777	8	121.6137	4.777	8	121.6137	4.777	8	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:2:	4:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:N[6a]-2:	C[5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]2H)(C[6a]C[6a]H)(N[6a]C[6a])	C[6](C[5,6]C[5]C[6]O[5])2(C[6a]C[6a]N[6a])(H)	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]2H)(C[6a]C[6a]H)(N[6a]C[6a]){2|C<4>,2|H<1>,2|O<2>,3|C<3>}	C[6](C[5,6]C[5]C[6]O[5])2(C[6a]C[6a]N[6a])(H){1|O<2>,2|C<4>,2|H<1>,2|O<1>,7|C<3>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	124.0825	0.141	2	121.6137	4.777	8	121.6137	4.777	8	121.6137	4.777	8	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:2:	4:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:N[6a]-2:	C[5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]2H)(C[6a]C[6a]H)(N[6a]C[6a])	C[6](C[5,6]C[5]C[6]O[5])2(C[6a]C[6a]N[6a])(H)	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]2H)(C[6a]C[6a]H)(N[6a]C[6a]){2|C<4>,2|H<1>,2|O<2>,3|C<3>}	C[6](C[5,6]C[5]C[6]O[5])2(C[6a]C[6a]N[6a])(H){2|C<4>,2|H<1>,3|O<1>,7|C<3>}	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	119.5540	0.000	1	121.6137	4.777	8	121.6137	4.777	8	121.6137	4.777	8	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:2:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:N[6]-2:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]N[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(N[6]C[6])(O[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]N[6]O[6]H)(C[6a]C[6a]H)2{2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6])(O[6]C[6])(H){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,1|O<2>,2|H<1>}	120.2150	0.359	2	120.2150	0.129	2	120.2150	0.129	2	120.4988	0.152	4	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:2:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:Se[6]-2:Se[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]Se[6]2H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(Se[6]C[6])2(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]Se[6]2H)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6a]C[6a]2)(Se[6]C[6])2(H){2|C<3>,3|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|Se<2>,1|C<3>,3|H<1>}	120.7825	0.076	2	120.7825	0.006	2	120.7825	0.006	2	120.4988	0.152	4	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:2:2:3:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:S[6]-2:O[6]-2:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]O[6]S[6]C)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(S[6]C[6,6a])(O[6]C[6])(CCH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]O[6]S[6]C)(C[6a]C[6a]H)2{2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(S[6]C[6,6a])(O[6]C[6])(CCH){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,1|S<2>,2|C<3>,2|H<1>}	119.9850	2.490	2	119.9850	6.202	2	119.9850	6.202	2	119.9850	6.202	2	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:2:2:4:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:N[6]-2:O[6]-2:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]N[6]O[6]C)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(N[6]C[6])(O[6]C[6])(CFHH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]N[6]O[6]C)(C[6a]C[6a]H)2{2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6])(O[6]C[6])(CFHH){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,1|O<2>,2|H<1>}	120.3725	1.671	2	120.3725	2.792	2	120.3725	2.792	2	120.3725	2.792	2	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:2:3:1:	3:2:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:O[6]-2:N[6]-3:H-1:	C[6a]-3:N[6a]-2:H-1:	C[6a](C[6]N[6]O[6]H)(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a])(H)	C[6a](C[6]N[6]O[6]H)(C[6a]C[6a]H)(C[6a]N[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(N[6]C[6]H)(H){1|N<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a])(H){1|C<3>,1|N<3>,1|O<2>,3|H<1>}	118.7620	0.000	1	118.7620	0.000	1	118.7620	0.000	1	118.7620	0.000	1	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:2:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:O[6]-2:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]O[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[4,6,6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]O[6]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[4,6,6])(C[6a]C[6a]2)(H){1|O<2>,2|C<4>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|O<2>,2|C<3>,2|H<1>}	120.4778	0.456	4	120.4778	0.208	4	120.4778	0.208	4	120.6947	3.813	93	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:2:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:N[6]-2:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(N[6]C[5,6])(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[5,6])(C[6]C[6]C)(H){1|C<4>,1|N<3>,1|S<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,3|H<1>}	120.6095	3.065	2	120.6095	9.396	2	120.6095	9.396	2	120.6947	3.813	93	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:2:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:O[6]-2:C[6]-3:H-1:	C[6a]-3:C[6a]-3:Br-1:	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Br)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]Br)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]C)(H){1|Br<1>,1|H<1>,1|O<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Br){1|O<2>,2|C<3>,3|H<1>}	119.6670	4.769	2	119.6670	22.741	2	119.6670	22.741	2	120.6947	3.813	93	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:2:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:O[6]-2:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]Br)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]C)(H){1|Br<1>,1|H<1>,1|O<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|O<2>,2|C<3>,2|H<1>}	121.9140	2.407	2	121.9140	5.794	2	120.7395	3.924	38	120.6947	3.813	93	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:2:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:O[6]-2:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(O[6]C[6,6])(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](C[6a]C[6a]2)(O[6]C[6,6])(C[6]C[6]C)(H){2|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,3|H<1>}	120.7600	0.233	2	120.7600	0.054	2	120.7395	3.924	38	120.6947	3.813	93	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:2:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:O[6]-2:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]C)(H){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|C<3>,2|H<1>,2|O<2>}	121.4630	2.266	4	120.6321	5.254	24	120.7395	3.924	38	120.6947	3.813	93	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:2:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:O[6]-2:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]C)(H){1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,3|H<1>}	120.6810	0.594	2	120.6321	5.254	24	120.7395	3.924	38	120.6947	3.813	93	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:2:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:O[6]-2:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]C)(H){1|Cl<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,3|H<1>}	120.1750	2.294	2	120.6321	5.254	24	120.7395	3.924	38	120.6947	3.813	93	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:2:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:O[6]-2:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]C)(H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,3|H<1>}	120.4574	2.531	14	120.6321	5.254	24	120.7395	3.924	38	120.6947	3.813	93	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:2:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:O[6]-2:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]C)(H){3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,3|H<1>}	120.6010	3.595	2	120.6321	5.254	24	120.7395	3.924	38	120.6947	3.813	93	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:2:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:O[6]-2:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]H)(H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,3|H<1>}	120.4200	0.933	2	120.8912	3.630	4	120.7395	3.924	38	120.6947	3.813	93	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:2:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:O[6]-2:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]H)(H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|C<3>,2|H<1>,2|O<2>}	121.3625	3.021	2	120.8912	3.630	4	120.7395	3.924	38	120.6947	3.813	93	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:2:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:O[6]-2:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]N)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]N)(H){3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,3|H<1>}	120.8250	0.083	2	120.8250	0.007	2	120.7395	3.924	38	120.6947	3.813	93	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:2:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:O[6]-2:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]N[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]N[6]C)(H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,3|H<1>}	120.2835	1.992	2	120.5923	1.453	4	120.7395	3.924	38	120.6947	3.813	93	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:2:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:O[6]-2:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]N[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]N[6]C)(H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|C<3>,2|H<1>,2|O<2>}	120.9010	0.095	2	120.5923	1.453	4	120.7395	3.924	38	120.6947	3.813	93	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:2:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:O[6]-2:N[6]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[6a](C[6]N[6]O[6]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(N[6]C[6]H)(H)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[6])(H)	C[6a](C[6]N[6]O[6]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(N[6]C[6]H)(H){3|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[6])(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>,2|O<2>}	115.9690	0.000	1	115.9690	0.000	1	115.9690	0.000	1	120.6947	3.813	93	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:2:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:O[6]-2:N[6]-3:H-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[6]N[6]O[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl)	C[6a](C[6]N[6]O[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(N[6]C[6]H)(H){1|Cl<1>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|N<3>,1|O<2>,2|H<1>}	120.5670	0.000	1	120.5670	0.000	1	121.3493	2.569	3	120.6947	3.813	93	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:2:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:O[6]-2:N[6]-3:H-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[6]N[6]O[6]H)(C[6a]C[6a]Cl)2	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl)	C[6a](C[6]N[6]O[6]H)(C[6a]C[6a]Cl)2{1|C<4>,2|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(N[6]C[6]H)(H){2|Cl<1>,1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|N<3>,1|O<2>,2|H<1>}	121.7405	2.054	2	121.7405	4.220	2	121.3493	2.569	3	120.6947	3.813	93	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:2:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:O[6]-2:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]N[6]O[6]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[5,6a]H)(H)	C[6a](C[6]N[6]O[6]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(N[6]C[6]H)(H){3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[5,6a]H)(H){1|C<3>,1|N<3>,2|H<1>,2|O<2>}	118.7770	0.000	1	118.7770	0.000	1	120.6048	5.848	17	120.6947	3.813	93	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:2:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:O[6]-2:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]N[6]O[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]N[6]O[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(N[6]C[6]H)(H){1|Cl<1>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|Cl<1>,1|C<3>,1|H<1>,1|N<3>,1|O<2>}	121.7530	0.000	1	121.7530	0.000	1	120.6048	5.848	17	120.6947	3.813	93	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:2:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:O[6]-2:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]N[6]O[6]H)(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]N[6]O[6]H)(C[6a]C[6a]H)(C[6a]N[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(N[6]C[6]H)(H){1|N<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<2>,1|N<3>,1|O<2>,3|H<1>}	123.4280	0.000	1	123.4280	0.000	1	120.6048	5.848	17	120.6947	3.813	93	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:2:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:O[6]-2:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]N[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(N[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]N[6]O[6]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(N[6]C[6]C)(H){3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,1|O<2>,3|H<1>}	120.8020	2.941	4	120.8020	8.651	4	120.6048	5.848	17	120.6947	3.813	93	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:2:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:O[6]-2:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]N[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]N[6]O[6]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(N[6]C[6]H)(H){3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,1|O<2>,3|H<1>}	122.4050	0.000	1	120.5787	7.226	7	120.6048	5.848	17	120.6947	3.813	93	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:2:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:O[6]-2:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]N[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]N[6]O[6]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(N[6]C[6]H)(H){2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,1|O<2>,3|H<1>}	120.2340	0.501	2	120.5787	7.226	7	120.6048	5.848	17	120.6947	3.813	93	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:2:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:O[6]-2:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]N[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]N[6]O[6]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(N[6]C[6]H)(H){2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|H<1>,2|N<3>}	120.1000	4.120	2	120.5787	7.226	7	120.6048	5.848	17	120.6947	3.813	93	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:2:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:O[6]-2:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]N[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]N[6]O[6]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(N[6]C[6]H)(H){3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,1|O<2>,3|H<1>}	120.4890	4.699	2	120.5787	7.226	7	120.6048	5.848	17	120.6947	3.813	93	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:2:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:O[6]-2:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]N[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H)	C[6a](C[6]N[6]O[6]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(N[6]C[6]H)(H){3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|N<3>,1|O<2>,3|H<1>}	118.1700	0.000	1	118.1700	0.000	1	120.6048	5.848	17	120.6947	3.813	93	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:2:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:O[6]-2:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]N[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(N[6]C[6]N)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]N[6]O[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(N[6]C[6]N)(H){3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,1|O<2>,3|H<1>}	120.4475	2.343	2	120.4475	5.488	2	120.6048	5.848	17	120.6947	3.813	93	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:2:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:S[6]-2:C[6]-3:H-1:	C[6a]-3:C[6a]-3:Br-1:	C[6a](C[6]C[6]S[6]H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	C[6](C[6a]C[6a]2)(S[6]C[6,6a])(C[6]C[6]N)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Br)	C[6a](C[6]C[6]S[6]H)(C[6a]C[6a]Br)(C[6a]C[6a]H){1|F<1>,1|H<1>,1|N<3>,3|C<3>}	C[6](C[6a]C[6a]2)(S[6]C[6,6a])(C[6]C[6]N)(H){1|Br<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Br){1|S<2>,2|C<3>,3|H<1>}	121.5145	0.349	2	121.5145	0.122	2	121.5145	0.122	2	120.6947	3.813	93	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:2:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:S[6]-2:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]S[6]H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	C[6](C[6a]C[6a]2)(S[6]C[6,6a])(C[6]C[6]N)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]F)(H)	C[6a](C[6]C[6]S[6]H)(C[6a]C[6a]Br)(C[6a]C[6a]H){1|F<1>,1|H<1>,1|N<3>,3|C<3>}	C[6](C[6a]C[6a]2)(S[6]C[6,6a])(C[6]C[6]N)(H){1|Br<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]F)(H){1|Br<1>,1|S<2>,2|C<3>,2|H<1>}	121.3040	0.033	2	121.3040	0.001	2	120.7631	0.781	20	120.6947	3.813	93	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:2:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:S[6]-2:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]S[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(S[6]C[5a,6])(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]S[6]H)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(S[6]C[5a,6])(C[6]C[6]C)(H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|S<2>,2|C<3>,3|H<1>}	121.1845	1.660	2	121.1845	2.754	2	120.7631	0.781	20	120.6947	3.813	93	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:2:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:S[6]-2:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]S[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(S[6]C[6,6a])(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]S[6]H)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(S[6]C[6,6a])(C[6]C[6]C)(H){3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|S<2>,2|C<3>,3|H<1>}	120.8320	1.739	2	120.8320	3.026	2	120.7631	0.781	20	120.6947	3.813	93	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:2:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:S[6]-2:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]S[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(S[6]C[6,6a])(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]S[6]H)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(S[6]C[6,6a])(C[6]C[6]H)(H){3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|S<2>,2|C<3>,3|H<1>}	119.2740	0.000	1	120.5913	0.646	9	120.7631	0.781	20	120.6947	3.813	93	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:2:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:S[6]-2:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]S[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(S[6]C[6,6a])(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]S[6]H)(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(S[6]C[6,6a])(C[6]C[6]H)(H){1|N<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|S<2>,2|C<3>,3|H<1>}	120.3825	0.264	2	120.5913	0.646	9	120.7631	0.781	20	120.6947	3.813	93	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:2:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:S[6]-2:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]S[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(S[6]C[6,6a])(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]S[6]H)(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(S[6]C[6,6a])(C[6]C[6]H)(H){3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|S<2>,2|C<3>,2|H<1>}	120.8805	0.745	6	120.5913	0.646	9	120.7631	0.781	20	120.6947	3.813	93	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:2:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:S[6]-2:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]S[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(S[6]C[6,6a])(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]N)(H)	C[6a](C[6]C[6]S[6]H)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(S[6]C[6,6a])(C[6]C[6]H)(H){3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]N)(H){1|S<2>,2|C<3>,3|H<1>}	121.2880	0.000	1	121.2880	0.000	1	120.7631	0.781	20	120.6947	3.813	93	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:2:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:S[6]-2:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]S[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(S[6]C[6,6a])(C[6]C[6]N)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]S[6]H)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(S[6]C[6,6a])(C[6]C[6]N)(H){1|N<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|S<2>,2|C<3>,2|H<1>}	120.6405	0.180	2	120.5027	0.707	4	120.7631	0.781	20	120.6947	3.813	93	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:2:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:S[6]-2:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]S[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(S[6]C[6,6a])(C[6]C[6]N)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]S[6]H)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(S[6]C[6,6a])(C[6]C[6]N)(H){3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|S<2>,2|C<3>,3|H<1>}	120.3650	1.418	2	120.5027	0.707	4	120.7631	0.781	20	120.6947	3.813	93	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:2:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:S[6]-2:N[6]-3:H-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[6]N[6]S[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6](C[6a]C[6a]2)(S[6]C[6,6a])(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl)	C[6a](C[6]N[6]S[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(S[6]C[6,6a])(N[6]C[6]H)(H){1|Cl<1>,1|S<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl){1|C<3>,1|N<3>,1|S<2>,3|H<1>}	122.5200	0.000	1	122.5200	0.000	1	122.5200	0.000	1	120.6947	3.813	93	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:2:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:S[6]-2:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]N[6]S[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6](C[6a]C[6a]2)(S[6]C[6,6a])(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]N[6]S[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(S[6]C[6,6a])(N[6]C[6]H)(H){1|Cl<1>,1|S<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|N<3>,1|S<2>,2|H<1>}	120.4540	0.000	1	120.4540	0.000	1	120.9773	14.014	3	120.6947	3.813	93	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:2:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:S[6]-2:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]N[6]S[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(S[6]C[6,6a])(N[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]N[6]S[6]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](C[6a]C[6a]2)(S[6]C[6,6a])(N[6]C[6]C)(H){1|S<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|S<2>,2|H<1>}	121.2390	5.255	2	121.2390	27.617	2	120.9773	14.014	3	120.6947	3.813	93	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:2:3:1:	3:3:2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:O[6]-2:C[6]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]O)2	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]N[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]O)2{1|N<2>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]N[6]C)(H){2|O<2>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|H<1>,2|C<3>,3|O<2>}	120.9945	1.614	2	120.9945	2.606	2	120.9945	2.606	2	120.9945	2.606	2	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:2:3:2:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:O[6]-2:C[6]-3:O-2:	C[6a]-3:C[6a]-3:Br-1:	C[6a](C[6]C[6]O[6]O)(C[6a]C[6a]Br)(C[6a]C[6a]H)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]S)(OH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Br)	C[6a](C[6]C[6]O[6]O)(C[6a]C[6a]Br)(C[6a]C[6a]H){1|S<4>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]S)(OH){1|Br<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Br){2|C<3>,2|H<1>,2|O<2>}	122.6020	0.250	2	122.6020	0.063	2	122.6020	0.063	2	120.0303	3.774	15	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:2:3:2:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:O[6]-2:C[6]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]O)(C[6a]C[6a]Br)(C[6a]C[6a]H)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]S)(OH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]O)(C[6a]C[6a]Br)(C[6a]C[6a]H){1|S<4>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]S)(OH){1|Br<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,2|C<3>,2|O<2>}	119.7210	0.126	2	119.7210	0.016	2	119.6347	3.126	13	120.0303	3.774	15	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:2:3:2:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:O[6]-2:C[6]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]O)(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]H)(OC)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H)	C[6a](C[6]C[6]O[6]O)(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]H)(OC){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,2|C<3>,2|O<2>}	117.3010	0.621	2	117.3010	0.385	2	119.6347	3.126	13	120.0303	3.774	15	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:2:3:2:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:O[6]-2:C[6]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]O)(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]H)(OC)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]O)(C[6a]C[6a]H)(C[6a]C[6a]N){3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]H)(OC){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|O<2>}	118.0170	0.000	1	118.0170	0.000	1	119.6347	3.126	13	120.0303	3.774	15	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:2:3:2:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:O[6]-2:C[6]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]O)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(O[6]C[6,6])(C[6]C[6]H)(OC)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]O)(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(O[6]C[6,6])(C[6]C[6]H)(OC){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|C<3>,2|H<1>,2|O<2>}	120.2415	3.135	2	120.2415	9.826	2	119.6347	3.126	13	120.0303	3.774	15	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:2:3:2:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:O[6]-2:C[6]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]O)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]C)(OH)	C[6a](C[6a]C[6a]C[6])(C[6a]N[6a]H)(H)	C[6a](C[6]C[6]O[6]O)(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]C)(OH){3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]N[6a]H)(H){1|H<1>,2|C<3>,2|O<2>}	121.1645	2.384	2	121.1645	5.682	2	119.6347	3.126	13	120.0303	3.774	15	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:2:3:2:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:O[6]-2:C[6]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]O)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]S)(OH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]O)(C[6a]C[6a]H)2{1|S<4>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]S)(OH){3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|C<3>,2|H<1>,2|O<2>}	120.0945	0.779	4	120.0945	0.606	4	119.6347	3.126	13	120.0303	3.774	15	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:2:3:2:	3:3:3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:O[6]-2:C[6]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6]C[6]O[6]O)(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]H)(OC)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NCS)	C[6a](C[6]C[6]O[6]O)(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]H)(OC){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NCS){2|C<3>,2|H<1>,2|O<2>}	124.5595	0.716	2	124.5750	0.257	3	124.5750	0.257	3	124.5750	0.257	3	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:2:3:2:	3:3:3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:O[6]-2:C[6]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6]C[6]O[6]O)(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]H)(OC)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NCS)	C[6a](C[6]C[6]O[6]O)(C[6a]C[6a]H)(C[6a]C[6a]N){3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]H)(OC){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NCS){2|C<3>,2|H<1>,2|O<2>}	124.6060	0.000	1	124.5750	0.257	3	124.5750	0.257	3	124.5750	0.257	3	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:2:3:4:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:O[6]-2:C[6]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]C)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(O[6]C[6,6])(C[6]C[6]H)(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]C)(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(O[6]C[6,6])(C[6]C[6]H)(CH3){3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.3685	4.529	2	120.3685	20.512	2	120.6252	8.585	4	120.6252	8.585	4	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:2:3:4:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:O[6]-2:C[6]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]C)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]H)(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]C)(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]H)(CH3){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.8820	2.232	2	120.8820	4.980	2	120.6252	8.585	4	120.6252	8.585	4	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:2:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:N[6]-2:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(N[6]C[6,6a])(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{3|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(N[6]C[6,6a])(C[6]C[6]HH)(H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,3|H<1>}	120.7425	0.723	2	120.7425	0.523	2	120.7367	3.845	6	120.6494	2.459	148	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:2:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:N[6]-2:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(N[6]C[6,6a])(C[6]C[6]HS)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|S<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6a]C[6a]2)(N[6]C[6,6a])(C[6]C[6]HS)(H){4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|N<2>,3|H<1>}	123.8660	0.000	1	123.8660	0.000	1	120.7367	3.845	6	120.6494	2.459	148	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:2:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:N[6]-2:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(N[6]C[6,6a])(C[6]C[6]HS)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|S<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6a]C[6a]2)(N[6]C[6,6a])(C[6]C[6]HS)(H){4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,3|H<1>}	118.2280	0.000	1	118.2280	0.000	1	120.7367	3.845	6	120.6494	2.459	148	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:2:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:N[6]-2:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(N[6]C[6,6a])(C[6]N[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(N[6]C[6,6a])(C[6]N[6]HH)(H){1|S<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,3|H<1>}	120.4205	1.554	2	120.4205	2.413	2	120.7367	3.845	6	120.6494	2.459	148	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:2:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:O[6]-2:C[6]-4:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HH)(H)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[6])(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HH)(H){3|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[6])(H){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	118.7920	0.000	1	118.7920	0.000	1	119.7670	1.901	2	120.6494	2.459	148	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:2:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:O[6]-2:C[6]-4:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HN)(H)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[6])(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HN)(H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[6])(H){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	120.7420	0.000	1	120.7420	0.000	1	119.7670	1.901	2	120.6494	2.459	148	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:2:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:O[6]-2:C[6]-4:H-1:	C[6a]-3:C[6a]-3:Br-1:	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HS)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Br)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]Br)(C[6a]C[6a]H){1|S<4>,3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HS)(H){1|Br<1>,1|H<1>,1|O<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Br){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	121.3670	0.000	1	121.3670	0.000	1	121.3670	0.000	1	120.6494	2.459	148	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:2:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:O[6]-2:C[6]-4:H-1:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]F)(C[6a]C[6a]H)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]N[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(F)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]F)(C[6a]C[6a]H){1|N<3>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]N[6]HH)(H){1|F<1>,1|H<1>,1|S<4>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(F){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	122.7170	0.000	1	122.7170	0.000	1	122.7170	0.000	1	120.6494	2.459	148	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:2:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:O[6]-2:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[5,6a]H)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HH)(H){3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[5,6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	120.7950	0.000	1	120.7950	0.000	1	120.6250	2.486	122	120.6494	2.459	148	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:2:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:O[6]-2:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HN)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[5,6a]H)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HN)(H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[5,6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	118.5600	0.000	1	118.5600	0.000	1	120.6250	2.486	122	120.6494	2.459	148	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:2:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:O[6]-2:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HS)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]Br)(C[6a]C[6a]H){1|S<4>,3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HS)(H){1|Br<1>,1|H<1>,1|O<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	121.4580	0.000	1	121.4580	0.000	1	120.6250	2.486	122	120.6494	2.459	148	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:2:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:O[6]-2:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HS)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|O<2>,1|S<4>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HS)(H){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	122.1550	0.000	1	122.1550	0.000	1	120.6250	2.486	122	120.6494	2.459	148	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:2:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:O[6]-2:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]F)(C[6a]C[6a]H)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]N[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]F)(C[6a]C[6a]H){1|N<3>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]N[6]HH)(H){1|F<1>,1|H<1>,1|S<4>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|F<1>,1|O<2>,2|H<1>}	121.5200	0.000	1	121.5200	0.000	1	120.6250	2.486	122	120.6494	2.459	148	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:2:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:O[6]-2:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<2>,3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HH)(H){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	122.9740	0.000	1	122.8865	0.015	2	120.6250	2.486	122	120.6494	2.459	148	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:2:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:O[6]-2:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){3|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HH)(H){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	122.7990	0.000	1	122.8865	0.015	2	120.6250	2.486	122	120.6494	2.459	148	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:2:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:O[6]-2:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HS)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|S<4>,3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HS)(H){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	123.7950	0.000	1	123.7950	0.000	1	120.6250	2.486	122	120.6494	2.459	148	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:2:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:O[6]-2:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(O[6]C[5a,6])(C[6]C[6]HO)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(O[6]C[5a,6])(C[6]C[6]HO)(H){1|N<3>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.5055	0.204	2	120.5055	0.042	2	120.6250	2.486	122	120.6494	2.459	148	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:2:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:O[6]-2:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]CF)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|F<1>,2|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]CF)(H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.6175	1.466	2	120.6175	2.149	2	120.6250	2.486	122	120.6494	2.459	148	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:2:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:O[6]-2:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]CH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]CH)(H){1|N<3>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.5530	0.505	2	120.5530	0.255	2	120.6250	2.486	122	120.6494	2.459	148	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:2:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:O[6]-2:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HH)(H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	120.2800	1.550	2	120.2800	2.402	2	120.6250	2.486	122	120.6494	2.459	148	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:2:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:O[6]-2:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Cl)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|Cl<1>,3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HH)(H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Cl)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	119.5060	0.000	1	119.5060	0.000	1	120.6250	2.486	122	120.6494	2.459	148	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:2:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:O[6]-2:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HH)(H){1|N<3>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	121.1885	0.401	2	120.7209	1.897	57	120.6250	2.486	122	120.6494	2.459	148	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:2:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:O[6]-2:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HH)(H){1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.4990	0.477	2	120.7209	1.897	57	120.6250	2.486	122	120.6494	2.459	148	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:2:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:O[6]-2:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HH)(H){2|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.9255	0.198	4	120.7209	1.897	57	120.6250	2.486	122	120.6494	2.459	148	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:2:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:O[6]-2:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HH)(H){3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.5925	1.990	6	120.7209	1.897	57	120.6250	2.486	122	120.6494	2.459	148	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:2:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:O[6]-2:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HH)(H){3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	121.0053	0.975	4	120.7209	1.897	57	120.6250	2.486	122	120.6494	2.459	148	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:2:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:O[6]-2:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|Cl<1>,3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HH)(H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	121.3990	0.000	1	120.7209	1.897	57	120.6250	2.486	122	120.6494	2.459	148	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:2:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:O[6]-2:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|O<2>,3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HH)(H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	121.5510	0.700	2	120.7209	1.897	57	120.6250	2.486	122	120.6494	2.459	148	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:2:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:O[6]-2:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{3|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HH)(H){1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|F<1>,1|O<2>,2|H<1>}	120.5740	2.723	4	120.7209	1.897	57	120.6250	2.486	122	120.6494	2.459	148	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:2:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:O[6]-2:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{3|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HH)(H){1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	120.7155	1.578	2	120.7209	1.897	57	120.6250	2.486	122	120.6494	2.459	148	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:2:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:O[6]-2:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{3|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HH)(H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|F<1>,1|O<2>,2|H<1>}	120.9145	0.504	2	120.7209	1.897	57	120.6250	2.486	122	120.6494	2.459	148	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:2:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:O[6]-2:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{3|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HH)(H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|I<1>,1|O<2>,2|H<1>}	120.5290	0.247	2	120.7209	1.897	57	120.6250	2.486	122	120.6494	2.459	148	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:2:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:O[6]-2:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{3|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HH)(H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.5601	1.769	16	120.7209	1.897	57	120.6250	2.486	122	120.6494	2.459	148	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:2:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:O[6]-2:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{3|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HH)(H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	120.8245	0.697	6	120.7209	1.897	57	120.6250	2.486	122	120.6494	2.459	148	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:2:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:O[6]-2:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{3|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HH)(H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	120.3540	1.152	4	120.7209	1.897	57	120.6250	2.486	122	120.6494	2.459	148	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:2:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:O[6]-2:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|O<2>,3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HH)(H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	119.6350	0.322	2	119.6350	0.104	2	120.6250	2.486	122	120.6494	2.459	148	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:2:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:O[6]-2:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HN)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Br)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|Br<1>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HN)(H){1|N<3>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Br)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	121.0460	0.000	1	121.0460	0.000	1	120.6250	2.486	122	120.6494	2.459	148	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:2:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:O[6]-2:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HN)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|Br<1>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HN)(H){1|N<3>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	119.7360	0.000	1	120.6528	1.887	9	120.6250	2.486	122	120.6494	2.459	148	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:2:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:O[6]-2:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HN)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HN)(H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|F<1>,1|O<2>,2|H<1>}	120.5470	2.253	2	120.6528	1.887	9	120.6250	2.486	122	120.6494	2.459	148	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:2:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:O[6]-2:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HN)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HN)(H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.7655	0.121	2	120.6528	1.887	9	120.6250	2.486	122	120.6494	2.459	148	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:2:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:O[6]-2:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HN)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HN)(H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	120.7215	1.254	2	120.6528	1.887	9	120.6250	2.486	122	120.6494	2.459	148	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:2:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:O[6]-2:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HN)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HN)(H){4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	121.0355	2.692	2	120.6528	1.887	9	120.6250	2.486	122	120.6494	2.459	148	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:2:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:O[6]-2:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HO)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HO)(H){4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.5392	1.657	6	120.7228	2.570	12	120.6250	2.486	122	120.6494	2.459	148	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:2:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:O[6]-2:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HO)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HO)(H){4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	122.3327	0.292	3	120.7228	2.570	12	120.6250	2.486	122	120.6494	2.459	148	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:2:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:O[6]-2:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HO)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{2|H<1>,2|O<2>,3|C<3>}	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HO)(H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	119.4800	0.938	3	120.7228	2.570	12	120.6250	2.486	122	120.6494	2.459	148	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:2:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:O[6]-2:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HO)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HO)(H){4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	118.6430	0.390	3	119.9561	1.671	16	120.6250	2.486	122	120.6494	2.459	148	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:2:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:O[6]-2:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HO)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|H<1>,3|C<3>,3|O<2>}	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HO)(H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	119.9957	1.212	10	119.9561	1.671	16	120.6250	2.486	122	120.6494	2.459	148	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:2:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:O[6]-2:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HO)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{2|H<1>,2|O<2>,3|C<3>}	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HO)(H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	121.1370	1.044	3	119.9561	1.671	16	120.6250	2.486	122	120.6494	2.459	148	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:2:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:O[6]-2:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HS)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|O<2>,1|S<4>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HS)(H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	124.7945	0.261	2	124.7945	0.068	2	120.6250	2.486	122	120.6494	2.459	148	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:2:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:O[6]-2:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HS)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|O<2>,1|S<4>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HS)(H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	115.9450	0.355	2	115.9450	0.126	2	120.6250	2.486	122	120.6494	2.459	148	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:2:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:O[6]-2:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]N[6]CH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]N[6]CH)(H){3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	121.1320	0.000	1	121.1320	0.000	1	120.6250	2.486	122	120.6494	2.459	148	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:2:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:O[6]-2:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]N[6]CH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]N[6]CH)(H){3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	119.8810	0.000	1	119.8810	0.000	1	120.6250	2.486	122	120.6494	2.459	148	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:2:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:O[6]-2:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]O[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|O<2>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]O[6]HH)(H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.5170	1.312	2	120.5170	1.722	2	120.6250	2.486	122	120.6494	2.459	148	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:2:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:S[6]-2:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]S[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(S[6]C[6,6a])(C[6]C[6]CH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]S[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(S[6]C[6,6a])(C[6]C[6]CH)(H){1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,1|S<2>,2|H<1>}	121.1405	3.234	2	120.9210	5.535	4	120.7386	2.191	16	120.6494	2.459	148	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:2:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:S[6]-2:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]S[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(S[6]C[6,6a])(C[6]C[6]CH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]S[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(S[6]C[6,6a])(C[6]C[6]CH)(H){1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|S<2>,3|H<1>}	120.7015	2.440	2	120.9210	5.535	4	120.7386	2.191	16	120.6494	2.459	148	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:2:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:S[6]-2:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]S[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(S[6]C[6,6a])(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]S[6]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(S[6]C[6,6a])(C[6]C[6]HH)(H){3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|S<2>,2|H<1>}	120.7955	0.921	2	120.7955	0.849	2	120.7386	2.191	16	120.6494	2.459	148	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:2:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:S[6]-2:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]S[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(S[6]C[6,6a])(C[6]C[6]HN)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]S[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(S[6]C[6,6a])(C[6]C[6]HN)(H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,1|S<2>,2|H<1>}	120.3935	1.568	2	120.6543	1.689	10	120.7386	2.191	16	120.6494	2.459	148	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:2:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:S[6]-2:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]S[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(S[6]C[6,6a])(C[6]C[6]HN)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]S[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(S[6]C[6,6a])(C[6]C[6]HN)(H){1|N<2>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,1|S<2>,2|H<1>}	120.9275	1.452	4	120.6543	1.689	10	120.7386	2.191	16	120.6494	2.459	148	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:2:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:S[6]-2:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]S[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(S[6]C[6,6a])(C[6]C[6]HN)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]S[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(S[6]C[6,6a])(C[6]C[6]HN)(H){1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|S<2>,3|H<1>}	120.5115	1.402	4	120.6543	1.689	10	120.7386	2.191	16	120.6494	2.459	148	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:2:4:1:	3:3:2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:O[6]-2:C[6]-4:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){3|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HH)(H){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	118.6140	0.000	1	118.6140	0.000	1	118.2283	0.275	3	118.2283	0.275	3	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:2:4:1:	3:3:2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:O[6]-2:C[6]-4:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(OC)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<2>,3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HH)(H){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(OC){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	118.4400	0.000	1	118.4400	0.000	1	118.2283	0.275	3	118.2283	0.275	3	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:2:4:1:	3:3:2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:O[6]-2:C[6]-4:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HS)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|S<4>,3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HS)(H){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	117.6310	0.000	1	117.6310	0.000	1	118.2283	0.275	3	118.2283	0.275	3	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:2:4:1:	3:3:4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:O[6]-2:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HS)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(CCHH)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|O<2>,1|S<4>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HS)(H){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(CCHH){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	118.9940	0.000	1	118.9940	0.000	1	118.9940	0.000	1	118.9940	0.000	1	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:2:4:2:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:O[6]-2:C[6]-4:O-2:	C[6a]-3:C[6a]-3:Br-1:	C[6a](C[6]C[6]O[6]O)(C[6a]C[6a]Br)(C[6a]C[6a]H)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HS)(OH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Br)	C[6a](C[6]C[6]O[6]O)(C[6a]C[6a]Br)(C[6a]C[6a]H){1|S<4>,3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HS)(OH){1|Br<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Br){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	122.8680	0.000	1	122.8680	0.000	1	122.8680	0.000	1	120.5181	4.004	12	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:2:4:2:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:O[6]-2:C[6]-4:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]O)(C[6a]C[6a]Br)(C[6a]C[6a]H)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HS)(OH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]O)(C[6a]C[6a]Br)(C[6a]C[6a]H){1|S<4>,3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HS)(OH){1|Br<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,2|O<2>}	119.3890	0.000	1	119.3890	0.000	1	120.3045	3.802	11	120.5181	4.004	12	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:2:4:2:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:O[6]-2:C[6]-4:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]O)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HH)(OC)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]O)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HH)(OC){1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|O<2>}	120.1838	2.025	4	120.2430	3.840	6	120.3045	3.802	11	120.5181	4.004	12	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:2:4:2:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:O[6]-2:C[6]-4:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]O)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HH)(OC)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]O)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HH)(OC){3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	120.3615	2.617	2	120.2430	3.840	6	120.3045	3.802	11	120.5181	4.004	12	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:2:4:2:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:O[6]-2:C[6]-4:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]O)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HH)(OSi)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]O)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HH)(OSi){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	120.4740	3.523	2	120.6255	5.851	4	120.3045	3.802	11	120.5181	4.004	12	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:2:4:2:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:O[6]-2:C[6]-4:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]O)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HH)(OSi)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]O)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HH)(OSi){3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	120.7770	2.247	2	120.6255	5.851	4	120.3045	3.802	11	120.5181	4.004	12	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:2:4:4:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:O[6]-2:C[6]-4:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]C)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HH)(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]C)(C[6a]C[6a]H)(C[6a]C[6a]O){3|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HH)(CH3){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|O<2>,3|C<4>}	121.9270	0.000	1	121.9270	0.000	1	120.8446	1.539	5	120.8446	1.539	5	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:2:4:4:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:O[6]-2:C[6]-4:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]C)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HH)(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]C)(C[6a]C[6a]H)2{3|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HH)(CH3){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	121.1605	1.115	2	121.1605	1.243	2	120.8446	1.539	5	120.8446	1.539	5	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:2:4:4:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:O[6]-2:C[6]-4:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]C)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HN)(CF3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]C)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HN)(CF3){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	119.9875	1.439	2	119.9875	2.071	2	120.8446	1.539	5	120.8446	1.539	5	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:2:4:4:	3:3:2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:O[6]-2:C[6]-4:C-4:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6]C[6]O[6]C)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HH)(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH)	C[6a](C[6]C[6]O[6]C)(C[6a]C[6a]H)(C[6a]C[6a]O){3|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HH)(CH3){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	121.0270	0.000	1	121.0270	0.000	1	121.0270	0.000	1	121.0270	0.000	1	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:2:1:	3:2:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:H-1:	C[6a]-3:N[6a]-2:Cl-1:	C[6a](C[6]C[6,6a]N[6]H)(C[6a]N[6a]Cl)(C[6a]C[6a]N)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a])(Cl)	C[6a](C[6]C[6,6a]N[6]H)(C[6a]N[6a]Cl)(C[6a]C[6a]N){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6])(H){1|Cl<1>,1|C<4>,1|H<1>,1|N<2>,1|N<3>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a])(Cl){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	122.7520	0.000	1	122.7520	0.000	1	122.7520	0.000	1	122.7520	0.000	1	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[6a]-3:N[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5a,6]N[6]H)(C[6a]C[6a]H)2	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5a,6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6])(H){1|C<4>,4|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,3|H<1>}	120.9020	1.035	2	120.9020	1.072	2	120.9020	1.072	2	120.7149	2.631	196	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[6a]-3:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5a,6]O[6]H)(C[6a]C[6a]H)2	C[6](C[5a,6]C[5a,5a]C[5a,6])(C[6a]C[6a]2)(O[6]C[6,6a])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5a,6]O[6]H)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[6](C[5a,6]C[5a,5a]C[5a,6])(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|N<3>,1|S<2>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.8600	0.363	2	121.1413	1.969	6	120.9020	1.286	27	120.7149	2.631	196	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[6a]-3:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5a,6]O[6]H)(C[6a]C[6a]H)2	C[6](C[5a,6]C[5a,5a]C[5a,6])(C[6a]C[6a]2)(O[6]C[6,6a])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5a,6]O[6]H)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[6](C[5a,6]C[5a,5a]C[5a,6])(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|N<3>,1|S<2>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|O<2>,2|C<3>,2|H<1>}	121.2175	3.047	2	121.1413	1.969	6	120.9020	1.286	27	120.7149	2.631	196	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[6a]-3:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5a,6]O[6]H)(C[6a]C[6a]H)2	C[6](C[5a,6]C[5a,5a]C[5a,6])(C[6a]C[6a]2)(O[6]C[6,6a])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5a,6]O[6]H)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[6](C[5a,6]C[5a,5a]C[5a,6])(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|N<3>,1|S<2>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|C<3>,2|H<1>,2|O<2>}	121.3465	0.421	2	121.1413	1.969	6	120.9020	1.286	27	120.7149	2.631	196	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[6a]-3:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5a,6]O[6]H)(C[6a]C[6a]H)2	C[6](C[5a,6]C[5a,6]N[5a,6])(C[6a]C[6a]2)(O[6]C[6,6a])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5a,6]O[6]H)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	C[6](C[5a,6]C[5a,6]N[5a,6])(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|C<4>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	121.1330	0.036	3	121.0382	0.315	5	120.9020	1.286	27	120.7149	2.631	196	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[6a]-3:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5a,6]O[6]H)(C[6a]C[6a]H)2	C[6](C[5a,6]C[5a,6]N[5a,6])(C[6a]C[6a]2)(O[6]C[6,6a])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5a,6]O[6]H)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	C[6](C[5a,6]C[5a,6]N[5a,6])(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|C<4>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|O<2>,2|C<3>,2|H<1>}	120.8960	1.090	2	121.0382	0.315	5	120.9020	1.286	27	120.7149	2.631	196	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[6a]-3:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5a,6]O[6]H)(C[6a]C[6a]H)2	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(O[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5a,6]O[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(O[6]C[6])(H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|O<2>,2|C<3>,2|H<1>}	120.4890	0.076	2	120.7447	1.259	6	120.9020	1.286	27	120.7149	2.631	196	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[6a]-3:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5a,6]O[6]H)(C[6a]C[6a]H)2	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(O[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5a,6]O[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(O[6]C[6])(H){1|C<4>,4|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|O<2>,2|C<3>,2|H<1>}	120.9060	1.814	2	120.7447	1.259	6	120.9020	1.286	27	120.7149	2.631	196	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[6a]-3:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5a,6]O[6]H)(C[6a]C[6a]H)2	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(O[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5a,6]O[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(O[6]C[6])(H){2|C<4>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|O<2>,2|C<3>,2|H<1>}	120.8390	1.672	2	120.7447	1.259	6	120.9020	1.286	27	120.7149	2.631	196	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[6a]-3:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5a,6]O[6]H)(C[6a]C[6a]H)2	C[6](C[5a,6]C[5a,6]O[5a])(C[6a]C[6a]2)(O[6]C[6,6a])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5a,6]O[6]H)(C[6a]C[6a]H)2{1|O<2>,2|H<1>,3|C<3>}	C[6](C[5a,6]C[5a,6]O[5a])(C[6a]C[6a]2)(O[6]C[6,6a])(H){2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,3|H<1>}	120.6175	2.323	2	120.6175	5.396	2	120.9020	1.286	27	120.7149	2.631	196	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[6a]-3:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5a,6]O[6]H)(C[6a]C[6a]H)2	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(O[6]C[6,6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5a,6]O[6]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(O[6]C[6,6])(H){1|N<3>,2|H<1>,3|C<4>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,3|H<1>}	120.5010	1.331	2	120.5010	1.771	2	120.9020	1.286	27	120.7149	2.631	196	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[6a]-3:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5a,6]O[6]H)(C[6a]C[6a]H)2	C[6](C[5a,6]N[5a,6]C[5a])(C[6a]C[6a]2)(O[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5a,6]O[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[5a,6]N[5a,6]C[5a])(C[6a]C[6a]2)(O[6]C[6])(H){1|C<4>,4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|O<2>,2|C<3>,2|H<1>}	121.1910	1.499	4	120.9352	1.558	6	120.9020	1.286	27	120.7149	2.631	196	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[6a]-3:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5a,6]O[6]H)(C[6a]C[6a]H)2	C[6](C[5a,6]N[5a,6]C[5a])(C[6a]C[6a]2)(O[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5a,6]O[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[5a,6]N[5a,6]C[5a])(C[6a]C[6a]2)(O[6]C[6])(H){2|C<4>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	120.4235	0.515	2	120.9352	1.558	6	120.9020	1.286	27	120.7149	2.631	196	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[6a]-3:S[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5a,6]S[6]H)(C[6a]C[6a]H)2	C[6](C[5a,6]N[5a,6]C[5a])(C[6a]C[6a]2)(S[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5a,6]S[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[5a,6]N[5a,6]C[5a])(C[6a]C[6a]2)(S[6]C[6])(H){2|C<4>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,1|S<2>,2|C<3>,2|H<1>}	121.9115	2.389	2	121.9115	5.709	2	121.9115	5.709	2	120.7149	2.631	196	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-3:C[6a]-3:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6]2)(C[6a]C[6a]2)(O[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]2)(C[6a]C[6a]2)(O[6]C[6])(H){1|O<2>,2|C<3>,3|C<4>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|H<1>,3|C<3>}	120.8710	1.383	2	120.8710	1.913	2	120.8333	0.646	6	120.7149	2.631	196	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-3:C[6a]-3:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(O[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(O[6]C[6])(H){1|O<2>,2|C<3>,3|C<4>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|H<1>,3|C<3>}	120.8430	0.792	2	120.8430	0.627	2	120.8333	0.646	6	120.7149	2.631	196	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-3:C[6a]-3:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6a]C[6,6])(C[6a]C[6a]2)(O[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6]C[6,6a]C[6,6])(C[6a]C[6a]2)(O[6]C[6])(H){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|O<2>,2|C<3>,2|H<1>}	120.7860	0.826	2	120.7860	0.682	2	120.8333	0.646	6	120.7149	2.631	196	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6])(H){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<2>,1|O<2>,2|C<3>,2|H<1>}	120.1930	0.000	1	120.1930	0.000	1	120.1930	0.000	1	120.7149	2.631	196	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:H-1:	C[6a]-3:C[6a]-3:Br-1:	C[6a](C[6]C[6,6a]O[6]H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a]2)(O[6]C[6,6a])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Br)	C[6a](C[6]C[6,6a]O[6]H)(C[6a]C[6a]Br)(C[6a]C[6a]H){1|N<2>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|Br<1>,1|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Br){1|O<2>,2|C<3>,3|H<1>}	122.0410	0.000	1	122.0410	0.000	1	122.0410	0.000	1	120.7149	2.631	196	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:H-1:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6]C[6,6a]O[6]H)(C[6a]C[6a]F)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(F)	C[6a](C[6]C[6,6a]O[6]H)(C[6a]C[6a]F)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(H){1|C<4>,1|F<1>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(F){1|O<2>,2|C<3>,3|H<1>}	122.4930	0.000	1	122.4930	0.000	1	122.4930	0.000	1	120.7149	2.631	196	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]O[6]H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a]2)(O[6]C[6,6a])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]O[6]H)(C[6a]C[6a]Br)(C[6a]C[6a]H){1|N<2>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|Br<1>,1|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|O<2>,2|C<3>,2|H<1>}	121.6630	0.000	1	121.6630	0.000	1	120.6272	2.110	40	120.7149	2.631	196	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]O[6]H)(C[6a]C[6a]F)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]O[6]H)(C[6a]C[6a]F)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(H){1|C<4>,1|F<1>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|F<1>,1|O<2>,2|C<3>,2|H<1>}	120.9380	0.000	1	120.9380	0.000	1	120.6272	2.110	40	120.7149	2.631	196	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]O[6]H)(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a]2)(O[6]C[6,6a])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]O[6]H)(C[6a]C[6a]H)(C[6a]C[6a]N){1|N<2>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|H<1>,1|N<3>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	119.5300	0.000	1	119.5300	0.000	1	120.6272	2.110	40	120.7149	2.631	196	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]O[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]O[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|H<1>,1|O<2>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,3|O<2>}	123.2270	0.000	1	123.2270	0.000	1	120.6272	2.110	40	120.7149	2.631	196	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]O[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6,6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]O[6]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6,6])(H){1|N<3>,4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|O<2>,2|C<3>,2|H<1>}	120.9125	0.643	2	120.9125	0.413	2	120.6272	2.110	40	120.7149	2.631	196	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]O[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6,6a])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]O[6]H)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|N<2>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,3|H<1>}	120.4250	1.344	2	120.4882	3.574	6	120.6272	2.110	40	120.7149	2.631	196	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]O[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6,6a])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]O[6]H)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|P<4>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,3|H<1>}	120.6660	3.903	2	120.4882	3.574	6	120.6272	2.110	40	120.7149	2.631	196	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]O[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6,6a])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]O[6]H)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6,6a])(H){3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|O<2>,2|C<3>,2|H<1>}	120.3735	0.855	2	120.4882	3.574	6	120.6272	2.110	40	120.7149	2.631	196	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]O[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Cl)(H)	C[6a](C[6]C[6,6a]O[6]H)(C[6a]C[6a]H)2{1|Cl<1>,1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Cl)(H){1|Cl<1>,1|O<2>,2|C<3>,2|H<1>}	119.6670	0.000	1	119.6670	0.000	1	120.6272	2.110	40	120.7149	2.631	196	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]O[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]O[6]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(H){1|C<4>,1|O<2>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,3|H<1>}	120.8550	3.550	2	120.7249	1.731	24	120.6272	2.110	40	120.7149	2.631	196	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]O[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]O[6]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(H){1|C<4>,4|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|O<2>,2|C<3>,2|H<1>}	120.4650	0.528	2	120.7249	1.731	24	120.6272	2.110	40	120.7149	2.631	196	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]O[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]O[6]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(H){1|C<4>,4|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|C<3>,2|H<1>,2|O<2>}	121.0950	1.380	2	120.7249	1.731	24	120.6272	2.110	40	120.7149	2.631	196	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]O[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]O[6]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(H){1|C<4>,4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,3|H<1>}	120.4240	0.701	4	120.7249	1.731	24	120.6272	2.110	40	120.7149	2.631	196	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]O[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]O[6]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(H){3|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|O<2>,2|C<3>,2|H<1>}	120.5345	2.115	2	120.7249	1.731	24	120.6272	2.110	40	120.7149	2.631	196	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]O[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]O[6]H)(C[6a]C[6a]H)2{1|Cl<1>,1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|O<2>,2|C<3>,2|H<1>}	121.2840	0.000	1	120.7249	1.731	24	120.6272	2.110	40	120.7149	2.631	196	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]O[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]O[6]H)(C[6a]C[6a]H)2{1|H<1>,1|O<2>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|C<3>,2|H<1>,2|O<2>}	122.4080	0.000	1	120.7249	1.731	24	120.6272	2.110	40	120.7149	2.631	196	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]O[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]O[6]H)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|F<1>,1|O<2>,2|C<3>,2|H<1>}	120.3710	0.346	2	120.7249	1.731	24	120.6272	2.110	40	120.7149	2.631	196	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]O[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]O[6]H)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,3|H<1>}	120.0640	1.762	2	120.7249	1.731	24	120.6272	2.110	40	120.7149	2.631	196	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]O[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]O[6]H)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|H<1>,3|C<3>}	120.8505	2.856	2	120.7249	1.731	24	120.6272	2.110	40	120.7149	2.631	196	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]O[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]O[6]H)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|C<3>,2|H<1>,2|O<2>}	121.1665	1.438	2	120.7249	1.731	24	120.6272	2.110	40	120.7149	2.631	196	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]O[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]O[6]H)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(H){1|N<2>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|F<1>,1|O<2>,2|C<3>,2|H<1>}	120.6030	0.170	2	120.7249	1.731	24	120.6272	2.110	40	120.7149	2.631	196	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]O[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H)	C[6a](C[6]C[6,6a]O[6]H)(C[6a]C[6a]H)2{1|H<1>,1|O<2>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H){2|C<3>,2|H<1>,2|O<2>}	118.3860	0.000	1	119.3043	4.199	3	120.6272	2.110	40	120.7149	2.631	196	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]O[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H)	C[6a](C[6]C[6,6a]O[6]H)(C[6a]C[6a]H)2{2|O<2>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(H){1|O<2>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H){1|O<2>,2|C<3>,3|H<1>}	119.7635	2.671	2	119.3043	4.199	3	120.6272	2.110	40	120.7149	2.631	196	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]S[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(S[6]C[6,6a])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]S[6]H)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(S[6]C[6,6a])(H){1|O<1>,1|S<2>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|S<2>,2|C<3>,2|H<1>}	121.0730	1.995	2	120.9603	3.659	4	120.9603	3.659	4	120.7149	2.631	196	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]S[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(S[6]C[6,6a])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]S[6]H)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(S[6]C[6,6a])(H){1|O<1>,1|S<2>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|F<1>,1|S<2>,2|C<3>,2|H<1>}	120.8475	2.635	2	120.9603	3.659	4	120.9603	3.659	4	120.7149	2.631	196	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-3:C[6a]-3:N[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6a]N[6])(C[6a]C[6a]2)(N[6]C[6,6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]N[6])(C[6a]C[6a]2)(N[6]C[6,6])(H){1|N<3>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,3|H<1>}	120.6690	2.990	2	120.6690	8.938	2	120.6690	8.938	2	120.7149	2.631	196	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-3:C[6a]-3:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6](C[6]C[5]C[6])(C[6a]C[6a]2)(O[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[5]C[6])(C[6a]C[6a]2)(O[6]C[6])(H){1|N<3>,2|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	124.0765	0.435	2	124.0765	0.189	2	122.2305	4.863	4	120.7149	2.631	196	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-3:C[6a]-3:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6,6a]C)(C[6a]C[6a]2)(O[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[6](C[6]C[6,6a]C)(C[6a]C[6a]2)(O[6]C[6])(H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,3|H<1>}	120.3845	0.878	2	120.3845	0.770	2	122.2305	4.863	4	120.7149	2.631	196	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-3:C[6a]-3:S[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]S[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[5]S[6])(C[6a]C[6a]2)(S[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]S[6]H)(C[6a]C[6a]H)2{1|C<4>,1|S<2>,2|C<3>,2|H<1>}	C[6](C[6]C[5]S[6])(C[6a]C[6a]2)(S[6]C[6])(H){2|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|S<2>,2|C<3>,3|H<1>}	121.2970	2.623	2	121.2970	6.882	2	121.2970	6.882	2	120.7149	2.631	196	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:N[6]-2:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6])(H)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[6])(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|H<1>,1|O<2>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6])(H){1|C<4>,1|N<3>,1|S<1>,2|C<3>,2|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[6])(H){1|C<4>,1|N<2>,1|O<2>,2|C<3>,2|H<1>}	119.4520	0.000	1	119.4520	0.000	1	119.4520	0.000	1	120.7149	2.631	196	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:N[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[5,6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|H<1>,1|O<2>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6])(H){1|C<4>,1|N<3>,1|S<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[5,6a]H)(H){1|N<2>,1|O<2>,2|C<3>,2|H<1>}	120.9880	0.000	1	120.9880	0.000	1	120.9477	0.426	10	120.7149	2.631	196	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:N[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6])(H){1|C<4>,1|N<3>,1|S<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<2>,1|O<2>,2|C<3>,2|H<1>}	121.2555	1.423	2	121.1222	0.974	4	120.9477	0.426	10	120.7149	2.631	196	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:N[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6])(H){1|N<2>,1|S<1>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|N<2>,2|C<3>,2|H<1>}	120.9890	0.908	2	121.1222	0.974	4	120.9477	0.426	10	120.7149	2.631	196	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:N[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]N[6]O)(N[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|N<2>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]N[6]O)(N[6]C[6])(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,3|H<1>}	120.8000	0.413	5	120.8000	0.171	5	120.9477	0.426	10	120.7149	2.631	196	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]C)(O[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Br)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|Br<1>,1|C<4>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(O[6]C[6])(H){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Br)(H){1|O<2>,2|C<3>,3|H<1>}	119.0560	0.409	2	119.0560	0.167	2	120.5083	1.798	27	120.7149	2.631	196	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]C)(O[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|Br<1>,1|C<4>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(O[6]C[6])(H){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,3|H<1>}	121.5255	0.520	2	120.8479	2.172	10	120.5083	1.798	27	120.7149	2.631	196	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]C)(O[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(O[6]C[6])(H){1|C<4>,2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,3|H<1>}	120.7898	1.647	6	120.8479	2.172	10	120.5083	1.798	27	120.7149	2.631	196	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]C)(O[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(O[6]C[6])(H){2|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,3|H<1>}	120.3445	2.068	2	120.8479	2.172	10	120.5083	1.798	27	120.7149	2.631	196	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]C[6])(H){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|C<3>,2|H<1>,2|O<2>}	121.0085	2.402	2	120.6765	1.455	6	120.5083	1.798	27	120.7149	2.631	196	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]C[6])(H){1|O<1>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,3|H<1>}	120.5105	0.626	4	120.6765	1.455	6	120.5083	1.798	27	120.7149	2.631	196	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]N[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]N[6])(H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,3|H<1>}	120.6145	2.575	2	120.4940	2.736	4	120.5083	1.798	27	120.7149	2.631	196	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]N[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]N[6])(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,3|H<1>}	120.3735	1.234	2	120.4940	2.736	4	120.5083	1.798	27	120.7149	2.631	196	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]O[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|O<2>,2|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]O[6])(H){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,3|H<1>}	120.4910	0.000	1	120.4910	0.000	1	120.5083	1.798	27	120.7149	2.631	196	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]O)(O[6]N[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]O)(O[6]N[6])(H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,3|H<1>}	120.2405	1.032	2	120.2405	1.064	2	120.5083	1.798	27	120.7149	2.631	196	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]O[6]O)(O[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]O[6]O)(O[6]C[6])(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,3|H<1>}	120.0635	2.097	2	120.0635	4.396	2	120.5083	1.798	27	120.7149	2.631	196	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:S[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]S[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]C)(S[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]S[6]H)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(S[6]C[6])(H){1|C<4>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|S<2>,2|C<3>,3|H<1>}	121.2750	2.062	2	121.2750	4.252	2	120.9363	1.710	4	120.7149	2.631	196	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:S[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]S[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]N[6]O)(S[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]S[6]H)(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]N[6]O)(S[6]C[6])(H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|S<2>,2|C<3>,2|H<1>}	120.5975	0.647	2	120.5975	0.419	2	120.9363	1.710	4	120.7149	2.631	196	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:N[6]-3:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]N[6]O[6]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6](C[6a]C[6a]2)(N[6]C[6]C)(O[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]N[6]O[6]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[6](C[6a]C[6a]2)(N[6]C[6]C)(O[6]C[6])(H){3|C<3>,3|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	116.4240	0.000	1	117.3013	0.966	4	119.7421	4.273	16	120.7149	2.631	196	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:N[6]-3:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]N[6]O[6]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6](C[6a]C[6a]2)(N[6]C[6]C)(O[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]N[6]O[6]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>,3|C<4>}	C[6](C[6a]C[6a]2)(N[6]C[6]C)(O[6]C[6])(H){3|C<3>,3|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	117.5937	0.967	3	117.3013	0.966	4	119.7421	4.273	16	120.7149	2.631	196	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:N[6]-3:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]N[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(N[6]C[5,6]C)(O[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]N[6]O[6]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>,3|C<4>}	C[6](C[6a]C[6a]2)(N[6]C[5,6]C)(O[6]C[6])(H){2|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,1|O<2>,3|H<1>}	120.4465	1.414	6	120.4465	2.000	6	119.7421	4.273	16	120.7149	2.631	196	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:N[6]-3:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]N[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(N[6]C[6]C)(O[6]B[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]N[6]O[6]H)(C[6a]C[6a]H)2{1|B<4>,1|C<4>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(N[6]C[6]C)(O[6]B[6])(H){1|N<3>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,1|O<2>,3|H<1>}	120.6390	4.247	2	120.6390	18.036	2	119.7421	4.273	16	120.7149	2.631	196	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:N[6]-3:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]N[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(N[6]O[6]C)(O[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]N[6]O[6]H)(C[6a]C[6a]H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6a]C[6a]2)(N[6]O[6]C)(O[6]C[6])(H){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|N<3>,1|O<2>,2|H<1>}	120.9470	0.870	2	120.6780	0.411	4	119.7421	4.273	16	120.7149	2.631	196	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:N[6]-3:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]N[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(N[6]O[6]C)(O[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]N[6]O[6]H)(C[6a]C[6a]H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6a]C[6a]2)(N[6]O[6]C)(O[6]C[6])(H){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,1|O<2>,3|H<1>}	120.4090	0.433	2	120.6780	0.411	4	119.7421	4.273	16	120.7149	2.631	196	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:N[6]-3:S[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]N[6]S[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(N[6]C[6]S)(S[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]N[6]S[6]H)(C[6a]C[6a]H)2{1|C<3>,1|S<4>,2|C<4>,2|H<1>}	C[6](C[6a]C[6a]2)(N[6]C[6]S)(S[6]C[6])(H){1|C<4>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,1|N<3>,1|S<2>,2|H<1>}	120.2885	4.047	2	120.2885	16.376	2	120.2885	16.376	2	120.7149	2.631	196	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[5,6]-3:C[6a]-3:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]N[5,6]O[6]H)(C[6a]C[6a]H)2	C[6](N[5,6]C[5,6]N[5])(C[6a]C[6a]2)(O[6]C[6,6a])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]N[5,6]O[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6](N[5,6]C[5,6]N[5])(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|C<4>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	120.3810	1.184	2	120.3810	1.401	2	120.3810	1.401	2	120.7149	2.631	196	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[5,6]-3:C[6a]-3:S[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]N[5,6]S[6]H)(C[6a]C[6a]H)2	C[6](N[5,6]N[5,6]C[5])(C[6a]C[6a]2)(S[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]N[5,6]S[6]H)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[6](N[5,6]N[5,6]C[5])(C[6a]C[6a]2)(S[6]C[6])(H){2|C<4>,4|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,1|S<2>,3|H<1>}	120.3905	1.223	2	120.3905	1.495	2	120.3905	1.495	2	120.7149	2.631	196	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[5a,6]-3:C[6a]-3:N[6]-2:H-1:	C[6a]-3:C[6a]-3:Br-1:	C[6a](C[6]N[5a,6]N[6]H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(N[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Br)	C[6a](C[6]N[5a,6]N[6]H)(C[6a]C[6a]Br)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(N[6]C[6])(H){1|Br<1>,1|H<1>,7|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Br){1|C<3>,1|N<2>,1|N<3>,3|H<1>}	120.7905	0.134	2	120.7905	0.018	2	120.7905	0.018	2	120.7149	2.631	196	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[5a,6]-3:C[6a]-3:N[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]N[5a,6]N[6]H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(N[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]N[5a,6]N[6]H)(C[6a]C[6a]Br)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(N[6]C[6])(H){1|Br<1>,1|H<1>,7|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|N<2>,1|N<3>,2|H<1>}	122.0820	0.233	2	122.0820	0.054	2	122.0820	0.054	2	120.7149	2.631	196	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[5a,6]-3:C[6a]-3:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]N[5a,6]O[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(O[6]C[6,6a])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]N[5a,6]O[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){2|H<1>,4|C<3>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|H<1>,1|O<2>,7|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|H<1>,2|O<2>}	120.7580	0.000	1	120.7580	0.000	1	120.7973	4.667	3	120.7149	2.631	196	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[5a,6]-3:C[6a]-3:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]N[5a,6]O[6]H)(C[6a]C[6a]H)2	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(O[6]C[6,6a])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]N[5a,6]O[6]H)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(O[6]C[6,6a])(H){2|H<1>,7|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,1|O<2>,3|H<1>}	120.8170	3.055	2	120.8170	9.331	2	120.7973	4.667	3	120.7149	2.631	196	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6])(H){1|N<2>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,1|N<3>,1|O<2>,2|H<1>}	121.3820	2.816	2	121.3820	7.928	2	121.3820	7.928	2	120.7149	2.631	196	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[6]-3:C[6a]-3:O[6]-2:H-1:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6]N[6]O[6]H)(C[6a]C[6a]F)2	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(O[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]F)(F)	C[6a](C[6]N[6]O[6]H)(C[6a]C[6a]F)2{1|H<1>,2|F<1>,3|C<3>}	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(O[6]C[6])(H){1|O<1>,2|F<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]F)(F){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|F<1>}	121.1467	1.138	4	121.1467	1.295	4	121.1467	1.295	4	120.7149	2.631	196	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[6]-3:C[6a]-3:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]N[6]O[6]H)(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(O[6]C[6,6a])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]N[6]O[6]H)(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,2|H<1>,3|C<3>}	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|N<3>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|H<1>,2|N<3>}	122.0070	0.000	1	122.0070	0.000	1	120.2690	2.419	4	120.7149	2.631	196	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[6]-3:C[6a]-3:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]N[6]O[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(O[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]N[6]O[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,2|H<1>,3|C<3>}	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(O[6]C[6])(H){1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|H<1>,2|O<2>}	119.2220	0.000	1	119.2220	0.000	1	120.2690	2.419	4	120.7149	2.631	196	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[6]-3:C[6a]-3:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]N[6]O[6]H)(C[6a]C[6a]H)2	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(O[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]N[6]O[6]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,3|H<1>}	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(O[6]C[6])(H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,1|O<2>,3|H<1>}	119.9235	1.703	2	119.9235	2.902	2	120.2690	2.419	4	120.7149	2.631	196	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[6]-3:C[6a]-3:S[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]N[6]S[6]H)(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(S[6]C[6,6a])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]N[6]S[6]H)(C[6a]C[6a]H)(C[6a]C[6a]N){2|H<1>,4|C<3>}	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(S[6]C[6,6a])(H){1|H<1>,1|N<3>,1|O<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|S<2>,2|H<1>,2|N<3>}	121.0430	0.000	1	121.0430	0.000	1	120.7680	6.055	23	120.7149	2.631	196	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[6]-3:C[6a]-3:S[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]N[6]S[6]H)(C[6a]C[6a]H)2	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(S[6]C[6,6a])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]N[6]S[6]H)(C[6a]C[6a]H)2{1|H<1>,1|N<3>,4|C<3>}	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(S[6]C[6,6a])(H){1|O<1>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,1|S<2>,3|H<1>}	119.2950	0.000	1	120.6728	8.011	13	120.7680	6.055	23	120.7149	2.631	196	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[6]-3:C[6a]-3:S[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]N[6]S[6]H)(C[6a]C[6a]H)2	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(S[6]C[6,6a])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]N[6]S[6]H)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(S[6]C[6,6a])(H){1|N<2>,1|O<1>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,1|S<2>,3|H<1>}	120.7340	3.929	2	120.6728	8.011	13	120.7680	6.055	23	120.7149	2.631	196	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[6]-3:C[6a]-3:S[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]N[6]S[6]H)(C[6a]C[6a]H)2	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(S[6]C[6,6a])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]N[6]S[6]H)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(S[6]C[6,6a])(H){1|O<1>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|S<2>,2|H<1>}	121.1555	3.682	4	120.6728	8.011	13	120.7680	6.055	23	120.7149	2.631	196	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[6]-3:C[6a]-3:S[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]N[6]S[6]H)(C[6a]C[6a]H)2	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(S[6]C[6,6a])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]N[6]S[6]H)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(S[6]C[6,6a])(H){1|O<1>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,1|S<2>,3|H<1>}	120.6797	2.666	4	120.6728	8.011	13	120.7680	6.055	23	120.7149	2.631	196	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[6]-3:C[6a]-3:S[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]N[6]S[6]H)(C[6a]C[6a]H)2	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(S[6]C[6,6a])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]N[6]S[6]H)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(S[6]C[6,6a])(H){1|O<1>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|S<2>,2|H<1>,2|N<3>}	120.3210	3.951	2	120.6728	8.011	13	120.7680	6.055	23	120.7149	2.631	196	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[6]-3:C[6a]-3:S[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]N[6]S[6]H)(C[6a]C[6a]H)2	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(S[6]C[6,6a])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]N)(H)	C[6a](C[6]N[6]S[6]H)(C[6a]C[6a]H)2{1|H<1>,1|N<3>,4|C<3>}	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(S[6]C[6,6a])(H){1|O<1>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]N)(H){1|C<3>,1|N<3>,1|S<2>,3|H<1>}	122.2020	0.000	1	122.2020	0.000	1	120.7680	6.055	23	120.7149	2.631	196	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[6]-3:C[6a]-3:S[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]N[6]S[6]H)(C[6a]C[6a]H)2	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(S[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]N[6]S[6]H)(C[6a]C[6a]H)2{1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(S[6]C[6])(H){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,1|S<2>,3|H<1>}	122.9350	0.000	1	121.0494	4.718	7	120.7680	6.055	23	120.7149	2.631	196	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[6]-3:C[6a]-3:S[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]N[6]S[6]H)(C[6a]C[6a]H)2	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(S[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]N[6]S[6]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(S[6]C[6])(H){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,1|S<2>,3|H<1>}	120.7780	2.805	4	121.0494	4.718	7	120.7680	6.055	23	120.7149	2.631	196	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[6]-3:C[6a]-3:S[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]N[6]S[6]H)(C[6a]C[6a]H)2	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(S[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]N[6]S[6]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(S[6]C[6])(H){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|S<2>,2|H<1>,2|N<3>}	120.6495	0.733	2	121.0494	4.718	7	120.7680	6.055	23	120.7149	2.631	196	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[6]-3:C[6a]-3:S[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]N[6]S[6]H)(C[6a]C[6a]H)2	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(S[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]N)(H)	C[6a](C[6]N[6]S[6]H)(C[6a]C[6a]H)2{1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(S[6]C[6])(H){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]N)(H){1|C<3>,1|N<3>,1|S<2>,3|H<1>}	118.3270	0.000	1	118.3270	0.000	1	120.7680	6.055	23	120.7149	2.631	196	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:2:1:	3:3:2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC[6])	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6])(H){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC[6]){1|N<2>,2|C<3>,3|H<1>}	121.5500	0.000	1	121.5500	0.000	1	121.5500	0.000	1	120.3530	2.500	4	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:2:1:	3:3:2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6]C[6,6a]O[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(OC)	C[6a](C[6]C[6,6a]O[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|H<1>,1|O<2>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(OC){2|C<3>,2|H<1>,2|O<2>}	118.6420	0.000	1	118.6420	0.000	1	118.6420	0.000	1	120.3530	2.500	4	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:2:1:	3:3:2:	C[6]-4:C[6a]-3:C[6a]-3:	N[5a,6]-3:C[6a]-3:O[6]-2:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6]N[5a,6]O[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(O[6]C[6,6a])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6]N[5a,6]O[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){2|H<1>,4|C<3>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|H<1>,1|O<2>,7|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,1|N<3>,1|O<2>,3|H<1>}	119.3840	0.000	1	119.3840	0.000	1	119.3840	0.000	1	120.3530	2.500	4	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:2:1:	3:3:2:	C[6]-4:C[6a]-3:C[6a]-3:	N[6]-3:C[6a]-3:O[6]-2:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6]N[6]O[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(O[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH)	C[6a](C[6]N[6]O[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,2|H<1>,3|C<3>}	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(O[6]C[6])(H){1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH){1|C<3>,1|N<3>,1|O<2>,3|H<1>}	121.8360	0.000	1	121.8360	0.000	1	121.8360	0.000	1	120.3530	2.500	4	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:2:1:	3:3:3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6]C[6,6a]N[6]H)(C[6a]N[6a]Cl)(C[6a]C[6a]N)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NC[6]S)	C[6a](C[6]C[6,6a]N[6]H)(C[6a]N[6a]Cl)(C[6a]C[6a]N){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6])(H){1|Cl<1>,1|C<4>,1|H<1>,1|N<2>,1|N<3>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NC[6]S){1|Cl<1>,1|C<3>,2|H<1>,2|N<2>}	121.7190	0.000	1	121.7190	0.000	1	121.7190	0.000	1	121.8317	2.616	6	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:2:1:	3:3:3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6]C[6,6a]O[6]H)(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a]2)(O[6]C[6,6a])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NOO)	C[6a](C[6]C[6,6a]O[6]H)(C[6a]C[6a]H)(C[6a]C[6a]N){1|N<2>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|H<1>,1|N<3>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NOO){1|O<2>,2|C<3>,3|H<1>}	124.3160	0.000	1	124.3160	0.000	1	124.3160	0.000	1	121.8317	2.616	6	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:2:1:	3:3:3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-3:C[6a]-3:O[6]-2:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6](C[6]C[5]C[6])(C[6a]C[6a]2)(O[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NOO)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[5]C[6])(C[6a]C[6a]2)(O[6]C[6])(H){1|N<3>,2|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NOO){1|O<2>,2|C<3>,3|H<1>}	120.2725	0.535	2	120.2725	0.287	2	120.2725	0.287	2	121.8317	2.616	6	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:2:1:	3:3:3:	C[6]-4:C[6a]-3:C[6a]-3:	N[6]-3:C[6a]-3:O[6]-2:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6]N[6]O[6]H)(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(O[6]C[6,6a])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NOO)	C[6a](C[6]N[6]O[6]H)(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,2|H<1>,3|C<3>}	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|N<3>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NOO){1|C<3>,1|N<3>,1|O<2>,3|H<1>}	121.3480	0.000	1	121.3480	0.000	1	121.3480	0.000	1	121.8317	2.616	6	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:2:1:	3:3:3:	C[6]-4:C[6a]-3:C[6a]-3:	N[6]-3:C[6a]-3:S[6]-2:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6]N[6]S[6]H)(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(S[6]C[6,6a])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NOO)	C[6a](C[6]N[6]S[6]H)(C[6a]C[6a]H)(C[6a]C[6a]N){2|H<1>,4|C<3>}	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(S[6]C[6,6a])(H){1|H<1>,1|N<3>,1|O<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NOO){1|C<3>,1|N<3>,1|S<2>,3|H<1>}	123.0620	0.000	1	123.0620	0.000	1	123.0620	0.000	1	121.8317	2.616	6	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:2:1:	3:3:4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:N[6]-3:O[6]-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6]N[6]O[6]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6](C[6a]C[6a]2)(N[6]C[6]C)(O[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CC[6]HH)	C[6a](C[6]N[6]O[6]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>,3|C<4>}	C[6](C[6a]C[6a]2)(N[6]C[6]C)(O[6]C[6])(H){3|C<3>,3|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CC[6]HH){1|C<3>,1|N<3>,1|O<2>,3|H<1>}	122.9300	1.415	3	122.9300	2.003	3	123.0680	1.411	4	123.0680	1.411	4	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:2:1:	3:3:4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:N[6]-3:O[6]-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6]N[6]O[6]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6](C[6a]C[6a]2)(N[6]C[6]C)(O[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(CC[6]HH)	C[6a](C[6]N[6]O[6]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[6](C[6a]C[6a]2)(N[6]C[6]C)(O[6]C[6])(H){3|C<3>,3|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(CC[6]HH){1|C<3>,1|N<3>,1|O<2>,3|H<1>}	123.4820	0.000	1	123.4820	0.000	1	123.0680	1.411	4	123.0680	1.411	4	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:2:2:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-3:C[6a]-3:O[6]-2:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]O)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(O[6]C[6,6])(OH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]O)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(O[6]C[6,6])(OH){1|H<1>,1|O<2>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,2|O<2>,3|C<3>}	119.7410	0.000	2	119.7410	0.000	2	120.4316	1.588	10	120.5911	1.041	50	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:2:2:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-3:C[6a]-3:O[6]-2:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]O)(C[6a]C[6a]H)2	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(O[6]C[6,6a])(OC)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]O)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(O[6]C[6,6a])(OC){3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	121.1355	0.511	2	120.6043	1.872	8	120.4316	1.588	10	120.5911	1.041	50	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:2:2:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-3:C[6a]-3:O[6]-2:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]O)(C[6a]C[6a]H)2	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(O[6]C[6,6a])(OC)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]O)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(O[6]C[6,6a])(OC){3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|C<3>,2|H<1>,2|O<2>}	120.4272	1.555	6	120.6043	1.872	8	120.4316	1.588	10	120.5911	1.041	50	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:2:2:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O[6]-2:O[6]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6a]O[6]2)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)2(O[6]C[6])2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6a]O[6]2)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)2(O[6]C[6])2{1|C<4>,4|C<3>,8|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|C<3>,2|H<1>,2|O<2>}	120.7404	1.022	16	120.6310	0.934	40	120.6310	0.934	40	120.5911	1.041	50	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:2:2:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O[6]-2:O[6]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6a]O[6]2)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)2(O[6]C[6])2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6a]O[6]2)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)2(O[6]C[6])2{3|C<4>,4|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|O<2>}	119.8965	0.252	4	120.6310	0.934	40	120.6310	0.934	40	120.5911	1.041	50	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:2:2:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O[6]-2:O[6]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6a]O[6]2)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)2(O[6]C[6])2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6a]O[6]2)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)2(O[6]C[6])2{3|C<4>,4|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,3|O<2>}	120.9794	1.355	8	120.6310	0.934	40	120.6310	0.934	40	120.5911	1.041	50	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:2:2:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O[6]-2:O[6]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6a]O[6]2)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)2(O[6]C[6])2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6a]O[6]2)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)2(O[6]C[6])2{3|C<4>,4|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|C<3>,2|H<1>,2|O<2>}	120.4976	0.617	12	120.6310	0.934	40	120.6310	0.934	40	120.5911	1.041	50	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:2:2:	3:3:3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-3:C[6a]-3:O[6]-2:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6]C[6]O[6]O)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(O[6]C[6,6])(OH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CC[6]O)	C[6a](C[6]C[6]O[6]O)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(O[6]C[6,6])(OH){1|H<1>,1|O<2>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CC[6]O){2|C<3>,2|H<1>,2|O<2>}	121.7210	0.000	2	121.7210	0.000	2	121.7210	0.000	2	121.7210	0.000	2	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:2:3:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:O[6]-2:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5a]C[6]O[6])(C[6a]C[6a]H)2	C[6](C[5a]C[5a]S[5a])(C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5a]C[6]O[6])(C[6a]C[6a]H)2{1|S<2>,3|H<1>,4|C<3>}	C[6](C[5a]C[5a]S[5a])(C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]H){4|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|H<1>,3|C<3>}	120.3517	2.500	4	120.3517	6.251	4	120.3517	6.251	4	120.6967	2.900	124	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:2:3:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]N[6]C)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]S[6])(COO)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]N[6]C)(C[6a]C[6a]H)2{1|S<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]S[6])(COO){1|O<2>,2|O<1>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,1|N<2>,3|C<3>}	120.5685	3.804	2	120.5685	14.467	2	120.5685	14.467	2	120.6967	2.900	124	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:2:3:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]O[6]N)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]O[6])(NHH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]O[6]N)(C[6a]C[6a]H)2{1|O<2>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]O[6])(NHH){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	120.6245	2.013	2	120.6245	4.053	2	120.6245	4.053	2	120.6967	2.900	124	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:2:3:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O[6]-2:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6a]C[6]O[6])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6](C[6a]C[6a]2)2(O[6]C[6,6a])(C[6]C[6]Br)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6a]C[6]O[6])(C[6a]C[6a]C)(C[6a]C[6a]H){1|Br<1>,2|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)2(O[6]C[6,6a])(C[6]C[6]Br){1|C<4>,4|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	119.6015	0.361	2	119.6015	0.131	2	120.7216	2.742	114	120.6967	2.900	124	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:2:3:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O[6]-2:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6a]C[6]O[6])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6](C[6a]C[6a]2)2(O[6]C[6,6a])(C[6]C[6]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6a]C[6]O[6])(C[6a]C[6a]C)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)2(O[6]C[6,6a])(C[6]C[6]H){1|C<4>,4|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	119.2650	0.088	2	119.2650	0.008	2	120.7216	2.742	114	120.6967	2.900	124	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:2:3:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O[6]-2:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6a]C[6]O[6])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6](C[6a]C[6a]2)2(O[6]C[6,6a])(C[6]C[6]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6a]C[6]O[6])(C[6a]C[6a]H)(C[6a]C[6a]O){3|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)2(O[6]C[6,6a])(C[6]C[6]H){1|C<4>,2|H<1>,2|O<2>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,2|O<2>,3|C<3>}	121.6828	0.347	6	121.6828	0.121	6	120.7216	2.742	114	120.6967	2.900	124	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:2:3:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O[6]-2:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6a]C[6]O[6])(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)2(O[6]C[6,6])(C[6]C[6]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6a]C[6]O[6])(C[6a]C[6a]H)2{3|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)2(O[6]C[6,6])(C[6]C[6]H){5|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|H<1>,3|C<3>}	120.8070	1.495	4	120.8070	2.235	4	120.7216	2.742	114	120.6967	2.900	124	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:2:3:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O[6]-2:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6a]C[6]O[6])(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)2(O[6]C[6,6a])(C[6]C[6]Br)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6a]C[6]O[6])(C[6a]C[6a]H)2{1|Br<1>,2|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)2(O[6]C[6,6a])(C[6]C[6]Br){1|C<4>,4|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,2|O<2>,3|C<3>}	120.7943	0.721	4	120.7943	0.520	4	120.7216	2.742	114	120.6967	2.900	124	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:2:3:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O[6]-2:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6a]C[6]O[6])(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)2(O[6]C[6,6a])(C[6]C[6]C)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6a]C[6]O[6])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)2(O[6]C[6,6a])(C[6]C[6]C){5|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|H<1>,3|C<3>}	120.7880	2.097	4	120.7880	4.398	4	120.7216	2.742	114	120.6967	2.900	124	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:2:3:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O[6]-2:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6a]C[6]O[6])(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)2(O[6]C[6,6a])(C[6]C[6]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H)	C[6a](C[6]C[6a]C[6]O[6])(C[6a]C[6a]H)2{1|H<1>,2|C<4>,5|C<3>}	C[6](C[6a]C[6a]2)2(O[6]C[6,6a])(C[6]C[6]H){5|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H){1|O<2>,2|H<1>,3|C<3>}	120.7467	2.026	4	120.7467	4.106	4	120.7216	2.742	114	120.6967	2.900	124	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:2:3:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O[6]-2:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6a]C[6]O[6])(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)2(O[6]C[6,6a])(C[6]C[6]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6a]C[6]O[6])(C[6a]C[6a]H)2{3|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)2(O[6]C[6,6a])(C[6]C[6]H){1|C<4>,4|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,2|O<2>,3|C<3>}	120.9273	1.196	4	120.7033	3.023	88	120.7216	2.742	114	120.6967	2.900	124	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:2:3:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O[6]-2:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6a]C[6]O[6])(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)2(O[6]C[6,6a])(C[6]C[6]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6a]C[6]O[6])(C[6a]C[6a]H)2{3|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)2(O[6]C[6,6a])(C[6]C[6]H){1|S<2>,4|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|H<1>,3|C<3>}	120.9215	1.681	8	120.7033	3.023	88	120.7216	2.742	114	120.6967	2.900	124	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:2:3:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O[6]-2:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6a]C[6]O[6])(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)2(O[6]C[6,6a])(C[6]C[6]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6a]C[6]O[6])(C[6a]C[6a]H)2{3|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)2(O[6]C[6,6a])(C[6]C[6]H){1|S<4>,4|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|H<1>,3|C<3>}	120.7982	1.874	4	120.7033	3.023	88	120.7216	2.742	114	120.6967	2.900	124	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:2:3:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O[6]-2:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6a]C[6]O[6])(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)2(O[6]C[6,6a])(C[6]C[6]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6a]C[6]O[6])(C[6a]C[6a]H)2{3|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)2(O[6]C[6,6a])(C[6]C[6]H){5|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,2|O<2>,3|C<3>}	120.9391	1.627	10	120.7033	3.023	88	120.7216	2.742	114	120.6967	2.900	124	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:2:3:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O[6]-2:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6a]C[6]O[6])(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)2(O[6]C[6,6a])(C[6]C[6]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6a]C[6]O[6])(C[6a]C[6a]H)2{3|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)2(O[6]C[6,6a])(C[6]C[6]H){5|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|H<1>,3|C<3>}	120.6166	1.824	62	120.7033	3.023	88	120.7216	2.742	114	120.6967	2.900	124	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:2:3:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:N[6]-3:O[6]-2:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]N[6]O[6]C)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(N[6]C[6]H)(O[6]C[6])(COO)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]N[6]O[6]C)(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(N[6]C[6]H)(O[6]C[6])(COO){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	120.1635	2.891	2	120.1635	8.360	2	120.1635	8.360	2	120.6967	2.900	124	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:2:3:	3:3:2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O[6]-2:C[6]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6]C[6a]C[6]O[6])(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6](C[6a]C[6a]2)2(O[6]C[6,6a])(C[6]C[6]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6]C[6a]C[6]O[6])(C[6a]C[6a]H)(C[6a]C[6a]O){3|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)2(O[6]C[6,6a])(C[6]C[6]H){1|C<4>,2|H<1>,2|O<2>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|O<2>,2|H<1>,3|C<3>}	120.8215	0.430	6	120.8215	0.185	6	120.8215	0.185	6	120.8215	0.185	6	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:2:3:	3:3:4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O[6]-2:C[6]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6]C[6a]C[6]O[6])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6](C[6a]C[6a]2)2(O[6]C[6,6a])(C[6]C[6]Br)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CCCH)	C[6a](C[6]C[6a]C[6]O[6])(C[6a]C[6a]C)(C[6a]C[6a]H){1|Br<1>,2|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)2(O[6]C[6,6a])(C[6]C[6]Br){1|C<4>,4|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CCCH){1|O<2>,2|H<1>,3|C<3>}	121.1120	0.042	2	121.1120	0.002	2	121.3127	0.061	4	121.3127	0.061	4	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:2:3:	3:3:4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O[6]-2:C[6]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6]C[6a]C[6]O[6])(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6](C[6a]C[6a]2)2(O[6]C[6,6a])(C[6]C[6]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CCCH)	C[6a](C[6]C[6a]C[6]O[6])(C[6a]C[6a]C)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)2(O[6]C[6,6a])(C[6]C[6]H){1|C<4>,4|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CCCH){1|O<2>,2|H<1>,3|C<3>}	121.5135	0.139	2	121.5135	0.019	2	121.3127	0.061	4	121.3127	0.061	4	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:2:4:	3:2:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:C-4:	C[6a]-3:O[6a]-2:O-1:	C[6a](C[6]C[6,6a]O[6]C)(C[6a]C[6,6a]C[3])(C[6a]O[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(CF3)	C[6a](C[6a]C[6a]C[6])(O[6a]C[6,6a])(O)	C[6a](C[6]C[6,6a]O[6]C)(C[6a]C[6,6a]C[3])(C[6a]O[6a]O){1|H<1>,2|C<4>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(CF3){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|O<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(O[6a]C[6,6a])(O){1|O<2>,2|C<4>,3|C<3>}	117.7600	0.000	1	117.7600	0.000	1	117.7600	0.000	1	117.7600	0.000	1	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:2:4:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:P-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]N[6]P)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]S[6])(PO3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]N[6]P)(C[6a]C[6a]H)2{1|S<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]S[6])(PO3){1|O<2>,2|O<1>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<2>,1|P<4>,2|C<3>,2|H<1>}	120.5985	4.259	2	120.5985	18.138	2	120.5985	18.138	2	120.7926	4.245	46	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:2:4:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]O[6]C)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6,6a])(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]O[6]C)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6,6a])(CH3){3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	121.1685	1.112	6	121.1685	1.236	6	120.9266	1.805	18	120.7926	4.245	46	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:2:4:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]O[6]C)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(CCFF)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]O[6]C)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(CCFF){1|C<4>,1|N<2>,1|N<3>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,1|H<1>,1|O<2>,2|C<3>}	121.0435	2.962	2	121.0435	8.774	2	120.9266	1.805	18	120.7926	4.245	46	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:2:4:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]O[6]C)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(CClHH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]O[6]C)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(CClHH){1|C<4>,1|N<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	121.0555	0.179	2	120.8020	2.357	6	120.9266	1.805	18	120.7926	4.245	46	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:2:4:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]O[6]C)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(CClHH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]O[6]C)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(CClHH){1|N<2>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.7945	1.867	2	120.8020	2.357	6	120.9266	1.805	18	120.7926	4.245	46	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:2:4:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]O[6]C)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(CClHH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]O[6]C)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(CClHH){1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.5560	2.831	2	120.8020	2.357	6	120.9266	1.805	18	120.7926	4.245	46	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:2:4:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]O[6]C)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]O[6]C)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(CH3){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	120.7940	1.321	2	120.6923	1.083	4	120.9266	1.805	18	120.7926	4.245	46	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:2:4:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]O[6]C)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]O[6]C)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(CH3){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.5905	1.210	2	120.6923	1.083	4	120.9266	1.805	18	120.7926	4.245	46	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:2:4:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-3:C[6a]-3:N[6]-2:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]C)(C[6a]C[6a]H)2	C[6](C[6]C[6a]N[6])(C[6a]C[6a]2)(N[6]C[6])(CC3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]C)(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]N[6])(C[6a]C[6a]2)(N[6]C[6])(CC3){1|Cl<1>,1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	121.0760	6.245	2	121.0760	39.002	2	121.0760	39.002	2	120.7926	4.245	46	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:2:4:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:O[6]-2:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]C)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]N[6]O)(O[6]C[6])(CF3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]C)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]N[6]O)(O[6]C[6])(CF3){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.1577	1.872	4	120.2705	3.694	6	120.2705	3.694	6	120.7926	4.245	46	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:2:4:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:O[6]-2:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]C)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]N[6]O)(O[6]C[6])(CF3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]C)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]N[6]O)(O[6]C[6])(CF3){4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.4960	2.794	2	120.2705	3.694	6	120.2705	3.694	6	120.7926	4.245	46	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:2:4:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:S[6]-2:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]S[6]C)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]H)(S[6]C[6])(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]S[6]C)(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(S[6]C[6])(CH3){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|S<2>,2|C<3>,2|H<1>}	121.9150	4.443	2	121.9150	19.744	2	121.9150	19.744	2	120.7926	4.245	46	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:2:4:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O[6]-2:C[6]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6a]C[6]O[6])(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)2(O[6]C[6,6a])(C[6]C[6]HH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6a]C[6]O[6])(C[6a]C[6a]H)2{1|C<4>,4|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)2(O[6]C[6,6a])(C[6]C[6]HH){1|C<4>,5|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.6158	1.780	4	120.6158	3.167	4	120.7237	4.205	12	120.7926	4.245	46	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:2:4:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O[6]-2:C[6]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6a]C[6]O[6])(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)2(O[6]C[6,6a])(C[6]C[6]HS)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6a]C[6]O[6])(C[6a]C[6a]H)2{1|C<4>,1|S<2>,3|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)2(O[6]C[6,6a])(C[6]C[6]HS){1|O<2>,5|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.7776	2.289	8	120.7776	5.241	8	120.7237	4.205	12	120.7926	4.245	46	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:2:4:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:N[6]-3:O[6]-2:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]N[6]O[6]C)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(N[6]C[6]C)(O[6]C[6])(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]N[6]O[6]C)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]C)(O[6]C[6])(CH3){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	120.6275	2.587	2	120.6275	6.694	2	120.6275	6.694	2	120.7926	4.245	46	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:2:4:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[6]-3:C[6a]-3:O[6]-2:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]N[6]O[6]C)(C[6a]C[6a]H)2	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(O[6]C[6])(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]N[6]O[6]C)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,3|H<1>}	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(O[6]C[6])(CH3){3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	120.5190	2.657	2	120.5190	7.061	2	120.5190	7.061	2	120.7926	4.245	46	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:2:4:	3:3:4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:C-4:	C[6,6a]-3:C[6a]-3:C[3]-4:	C[6a](C[6]C[6,6a]O[6]C)(C[6a]C[6,6a]C[3])(C[6a]O[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(CF3)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C[6])(C[3]C[3]2H)	C[6a](C[6]C[6,6a]O[6]C)(C[6a]C[6,6a]C[3])(C[6a]O[6a]O){1|H<1>,2|C<4>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(CF3){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|O<1>,3|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C[6])(C[3]C[3]2H){1|C<4>,2|O<1>,2|O<2>,3|C<3>,4|H<1>}	122.3310	0.000	1	122.3310	0.000	1	122.3310	0.000	1	122.3310	0.000	1	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:2:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:N[6a]-2:H-1:	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a])(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)(C[6a]N[6a]H){1|H<1>,5|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|N<2>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a])(H){3|C<3>,3|H<1>}	120.9790	0.000	1	120.9790	0.000	1	120.9790	0.000	1	119.2962	1.224	9	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:2:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-2:H-1:	C[6a](C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a])(H)	C[6a](C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]H)(C[6a]N[6a]H){1|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|O<1>,2|C<4>,2|N<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a])(H){3|C<3>,3|H<1>}	120.4620	0.000	1	120.4620	0.000	1	120.4620	0.000	1	119.2962	1.224	9	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:2:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:O[6a]-2:H-1:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a,6a]O)(C[6a]O[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]N)(H)	C[6a](C[6a]C[6a]C[6])(O[6a]C[6a,6a])(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a,6a]O)(C[6a]O[6a]H){1|N<3>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]N)(H){1|H<1>,1|N<3>,2|C<3>,2|O<1>,3|O<2>}	C[6a](C[6a]C[6a]C[6])(O[6a]C[6a,6a])(H){1|H<1>,1|O<1>,4|C<3>}	118.9783	0.146	3	118.9783	0.021	3	118.9783	0.021	3	119.2962	1.224	9	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:2:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6a]-3:N[6a]-2:H-1:	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a])(H)	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)(C[6a]N[6a]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(N[6]C[6]H)(H){1|N<2>,1|O<2>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a])(H){1|N<3>,2|C<3>,3|H<1>}	118.8120	0.000	1	118.8120	0.000	1	118.8120	0.000	1	119.2962	1.224	9	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:2:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:H-1:	C[6a]-3:O[6a]-2:O-1:	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a,6a]O)(C[6a]O[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(O[6a]C[6a,6a])(O)	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a,6a]O)(C[6a]O[6a]O){1|C<4>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,2|O<2>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(O[6a]C[6a,6a])(O){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	117.9765	0.168	2	117.9765	0.028	2	117.9765	0.028	2	119.2962	1.224	9	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:2:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[5a,6]-3:N[6]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-2:Cl-1:	C[6a](C[6]N[5a,6]N[6]H)(C[6a]C[6a,6a]H)(C[6a]N[6a]Cl)	C[6](N[5a,6]C[5a,6a]C[5a,6])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a,6a])(Cl)	C[6a](C[6]N[5a,6]N[6]H)(C[6a]C[6a,6a]H)(C[6a]N[6a]Cl){1|H<1>,5|C<3>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){1|Cl<1>,1|H<1>,2|N<2>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a,6a])(Cl){2|C<3>,2|H<1>,2|N<3>}	120.5250	0.000	1	120.5250	0.000	1	120.5250	0.000	1	119.2962	1.224	9	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-3:C[6,6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[6]C[5,6]C[6,6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6](C[5,6]C[5,6]C[5])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl)	C[6a](C[6]C[5,6]C[6,6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|Cl<1>,1|H<1>,1|N<3>,2|C<4>,2|O<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl){3|C<3>,3|H<1>}	123.4250	0.000	1	123.4250	0.000	1	123.4250	0.000	1	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-3:C[6,6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]C[6,6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6](C[5,6]C[5,6]C[5])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]C[6,6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|Cl<1>,1|H<1>,1|N<3>,2|C<4>,2|O<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,2|H<1>,3|C<3>}	119.1660	0.000	1	119.1660	0.000	1	120.6963	1.003	15	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-3:C[6,6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]C[6,6]H)(C[6a]C[6a]H)2	C[6](C[5,6]C[5,6]C[5])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]C[6,6]H)(C[6a]C[6a]H)2{1|H<1>,1|O<2>,5|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|N<3>,1|O<2>,2|C<3>,2|H<1>,2|O<1>,3|C<4>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|H<1>,3|C<3>}	121.8360	0.000	1	120.9330	1.041	11	120.6963	1.003	15	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-3:C[6,6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]C[6,6]H)(C[6a]C[6a]H)2	C[6](C[5,6]C[5,6]C[5])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]C[6,6]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|N<3>,2|C<4>,2|H<1>,2|O<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,2|H<1>,3|C<3>}	121.1470	1.441	2	120.9330	1.041	11	120.6963	1.003	15	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-3:C[6,6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]C[6,6]H)(C[6a]C[6a]H)2	C[6](C[5,6]C[5,6]C[5])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]C[6,6]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|N<3>,2|C<4>,2|H<1>,2|O<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|H<1>,3|C<3>}	120.8960	1.524	4	120.9330	1.041	11	120.6963	1.003	15	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-3:C[6,6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]C[6,6]H)(C[6a]C[6a]H)2	C[6](C[5,6]C[5,6]C[5])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]C[6,6]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){2|C<4>,2|H<1>,2|N<3>,2|O<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|H<1>,3|C<3>}	120.5455	0.197	2	120.9330	1.041	11	120.6963	1.003	15	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-3:C[6,6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]C[6,6]H)(C[6a]C[6a]H)2	C[6](C[5,6]C[5,6]C[5])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]C[6,6]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){2|C<4>,2|H<1>,2|N<3>,2|O<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){3|C<3>,3|H<1>}	120.7290	0.174	2	120.9330	1.041	11	120.6963	1.003	15	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-3:C[6,6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]C[6,6]H)(C[6a]C[6a]H)2	C[6](C[5,6]C[5,6]C[5])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H)	C[6a](C[6]C[5,6]C[6,6]H)(C[6a]C[6a]H)2{1|H<1>,1|O<2>,5|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|N<3>,1|O<2>,2|C<3>,2|H<1>,2|O<1>,3|C<4>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H){1|O<2>,2|H<1>,3|C<3>}	119.9220	0.000	1	119.9220	0.000	1	120.6963	1.003	15	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-3:C[6,6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]C[6,6]H)(C[6a]C[6a]H)2	C[6](C[5,6]C[5,6]S[5])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]C[6,6]H)(C[6a]C[6a]H)2{1|H<1>,1|O<2>,1|S<4>,4|C<3>}	C[6](C[5,6]C[5,6]S[5])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|N<3>,2|C<3>,2|H<1>,3|O<1>,4|C<4>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){3|C<3>,3|H<1>}	120.6660	0.000	1	120.6660	0.000	1	120.6963	1.003	15	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-3:C[6,6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]C[6,6]H)(C[6a]C[6a]H)2	C[6](C[5,6]C[5,6]S[5])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H)	C[6a](C[6]C[5,6]C[6,6]H)(C[6a]C[6a]H)2{1|H<1>,1|O<2>,1|S<4>,4|C<3>}	C[6](C[5,6]C[5,6]S[5])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|N<3>,2|C<3>,2|H<1>,3|O<1>,4|C<4>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H){3|C<3>,3|H<1>}	120.4270	0.000	1	120.4270	0.000	1	120.6963	1.003	15	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<2>,1|C<4>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|Cl<1>,1|N<2>,1|N<3>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl){3|C<3>,3|H<1>}	123.4060	0.000	1	123.4060	0.000	1	123.4060	0.000	1	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]F)(C[6a]C[6a]H)	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Cl)(F)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]F)(C[6a]C[6a]H){1|Cl<1>,1|H<1>,5|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|F<1>,1|H<1>,1|N<3>,1|O<1>,2|C<3>,3|C<4>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Cl)(F){3|C<3>,3|H<1>}	121.2280	0.000	1	121.2280	0.000	1	121.2280	0.000	1	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<2>,1|C<4>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|Cl<1>,1|N<2>,1|N<3>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,2|H<1>,3|C<3>}	119.8380	0.000	1	119.8380	0.000	1	120.6757	0.487	13	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]F)(C[6a]C[6a]H)	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]F)(C[6a]C[6a]H){1|Cl<1>,1|H<1>,5|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|F<1>,1|H<1>,1|N<3>,1|O<1>,2|C<3>,3|C<4>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|F<1>,2|H<1>,3|C<3>}	121.4090	0.000	1	121.4090	0.000	1	120.6757	0.487	13	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)(C[6a]N[6a]H){1|H<1>,5|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|N<2>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,3|H<1>}	121.9210	0.000	1	121.9210	0.000	1	120.6757	0.487	13	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{1|C<2>,2|H<1>,4|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|O<1>,2|H<1>,3|C<3>,3|N<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	120.9640	0.395	2	120.9125	0.109	4	120.6757	0.487	13	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|O<1>,2|H<1>,3|C<3>,3|N<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,2|H<1>,3|C<3>}	120.8610	0.402	2	120.9125	0.109	4	120.6757	0.487	13	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]H)(H){1|C<4>,1|N<3>,1|O<2>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){3|C<3>,3|H<1>}	120.7955	0.097	2	120.7955	0.009	2	120.6757	0.487	13	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[5,6]C[5,6]S[5])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Cl)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{1|Cl<1>,1|C<2>,1|H<1>,1|S<4>,3|C<3>}	C[6](C[5,6]C[5,6]S[5])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|H<1>,2|O<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Cl)(H){3|C<3>,3|H<1>}	119.3750	0.000	1	119.3750	0.000	1	120.6757	0.487	13	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[5,6]C[5,6]S[5])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{1|C<2>,1|S<4>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6]S[5])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|H<1>,2|O<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,2|H<1>,3|C<3>}	120.1285	0.416	2	120.3333	0.213	3	120.6757	0.487	13	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[5,6]C[5,6]S[5])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{1|Cl<1>,1|C<2>,1|H<1>,1|S<4>,3|C<3>}	C[6](C[5,6]C[5,6]S[5])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|H<1>,2|O<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){3|C<3>,3|H<1>}	120.7430	0.000	1	120.3333	0.213	3	120.6757	0.487	13	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-3:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]N[6]H)(C[6a]C[6a]H)2	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(N[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(N[6]C[6]C)(H){4|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,3|H<1>}	120.3585	2.773	2	120.3585	7.687	2	120.5743	2.377	6	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-3:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]N[6]H)(C[6a]C[6a]H)2	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(N[6]O[6]S)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,1|S<4>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(N[6]O[6]S)(H){2|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	120.9640	1.114	2	120.9640	1.242	2	120.5743	2.377	6	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-3:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]N[6]H)(C[6a]C[6a]H)2	C[6](C[5,6]C[5,6]N[5])(C[6a]C[6a]2)(N[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Br)(H)	C[6a](C[6]C[5,6]N[6]H)(C[6a]C[6a]H)2{1|Br<1>,1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[6](C[5,6]C[5,6]N[5])(C[6a]C[6a]2)(N[6]C[6]C)(H){1|C<4>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Br)(H){1|N<3>,2|C<3>,3|H<1>}	119.2830	0.000	1	119.2830	0.000	1	120.5743	2.377	6	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-3:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]N[6]H)(C[6a]C[6a]H)2	C[6](C[5,6]C[5,6]N[5])(C[6a]C[6a]2)(N[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]N[6]H)(C[6a]C[6a]H)2{1|Br<1>,1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[6](C[5,6]C[5,6]N[5])(C[6a]C[6a]2)(N[6]C[6]C)(H){1|C<4>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,3|H<1>}	121.5180	0.000	1	121.5180	0.000	1	120.5743	2.377	6	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-3:N[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]N[6]H)(C[6a]C[6a]H)2	C[6](C[5,6]C[5,6]C[5])(N[6]C[6,6a]S)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|S<4>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6]C[5])(N[6]C[6,6a]S)(C[6a]C[6a]2)(H){4|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,3|H<1>}	120.9570	2.712	2	120.9570	7.357	2	120.9570	7.357	2	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5a,6]2H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5a,6]2H)(C[6a]C[6a]H)(C[6a]C[6a]O){2|H<1>,2|N<3>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)(H){1|B<3>,1|H<1>,1|O<2>,2|C<4>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|H<1>,3|C<3>}	120.2150	0.000	1	120.2150	0.000	1	120.4767	1.497	3	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5a,6]2H)(C[6a]C[6a]H)2	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5a,6]2H)(C[6a]C[6a]H)2{2|H<1>,2|N<3>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)(H){1|B<3>,2|C<4>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){3|C<3>,3|H<1>}	120.6075	1.701	2	120.6075	2.892	2	120.4767	1.497	3	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[6,6]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5a,6]C[6,6]H)(C[6a]C[6a,6a]H)(C[6a]C[6a]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])(H)	C[6a](C[6]C[5a,6]C[6,6]H)(C[6a]C[6a,6a]H)(C[6a]C[6a]H){1|H<1>,6|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|N<2>,1|O<1>,2|C<3>,2|H<1>,2|N<3>,3|C<4>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])(H){3|H<1>,5|C<3>}	121.9020	0.000	1	121.9020	0.000	1	121.9020	0.000	1	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[6,6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5a,6]C[6,6]H)(C[6a]C[6a,6a]H)(C[6a]C[6a]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C[6])(H)	C[6a](C[6]C[5a,6]C[6,6]H)(C[6a]C[6a,6a]H)(C[6a]C[6a]H){1|H<1>,6|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|N<2>,1|O<1>,2|C<3>,2|H<1>,2|N<3>,3|C<4>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C[6])(H){2|H<1>,4|C<3>}	119.2940	0.000	1	119.2940	0.000	1	120.6144	0.474	7	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[6,6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5a,6]C[6,6]H)(C[6a]C[6a]H)2	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5a,6]C[6,6]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|N<2>,1|O<1>,2|C<3>,2|H<1>,2|N<3>,3|C<4>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,2|H<1>,3|C<3>}	120.9305	0.453	2	120.8345	0.161	6	120.6144	0.474	7	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[6,6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5a,6]C[6,6]H)(C[6a]C[6a]H)2	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5a,6]C[6,6]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|N<2>,1|O<1>,2|C<3>,2|H<1>,2|N<3>,3|C<4>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,2|H<1>,3|C<3>}	120.7500	0.694	2	120.8345	0.161	6	120.6144	0.474	7	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[6,6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5a,6]C[6,6]H)(C[6a]C[6a]H)2	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5a,6]C[6,6]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|N<2>,1|O<1>,2|C<3>,2|H<1>,2|N<3>,3|C<4>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){3|C<3>,3|H<1>}	120.8230	0.294	2	120.8345	0.161	6	120.6144	0.474	7	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5a,6]C[6,6a]H)(C[6a]C[6a]H)2	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5a,6]C[6,6a]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>,2|N<2>,2|N<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	121.5180	2.082	2	121.0373	1.762	4	121.0373	1.762	4	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5a,6]C[6,6a]H)(C[6a]C[6a]H)2	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5a,6]C[6,6a]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H){1|C<4>,1|O<2>,2|H<1>,2|N<2>,2|N<3>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,2|H<1>,3|C<3>}	120.5565	0.168	2	121.0373	1.762	4	121.0373	1.762	4	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6a]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6a]C[6])(C[6a]C[6a]2)(H){1|N<2>,1|N<3>,1|O<2>,2|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){3|C<3>,3|H<1>}	120.9605	0.552	2	120.9605	0.305	2	120.9605	0.305	2	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[6a]-3:C[6]-3:H-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a,6a]H)(C[6a]C[6a]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])(H)	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a,6a]H)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]H)(H){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])(H){3|H<1>,5|C<3>}	121.2150	0.000	1	121.2150	0.000	1	121.2150	0.000	1	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a,6a]H)(C[6a]C[6a]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C[6])(H)	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a,6a]H)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]H)(H){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C[6])(H){2|H<1>,4|C<3>}	119.4890	0.000	1	119.4890	0.000	1	120.7661	0.780	37	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[5a,6]C[5a,6,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]O)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2{1|O<1>,2|H<1>,4|C<3>}	C[6](C[5a,6]C[5a,6,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]O)(H){1|O<2>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){3|C<3>,3|H<1>}	120.6615	0.491	2	120.6615	0.242	2	120.7661	0.780	37	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Br)(H)	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2{1|Br<1>,1|C<2>,1|H<1>,4|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|N<2>,1|O<2>,2|C<3>,2|H<1>,2|N<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Br)(H){1|O<2>,2|H<1>,3|C<3>}	120.7580	0.000	1	120.7580	0.000	1	120.7661	0.780	37	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2{1|Br<1>,1|C<2>,1|H<1>,4|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|N<2>,1|O<2>,2|C<3>,2|H<1>,2|N<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|H<1>,3|C<3>}	121.1910	0.000	1	120.9542	0.960	16	120.7661	0.780	37	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2{1|C<2>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|N<2>,1|O<2>,2|C<3>,2|H<1>,2|N<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){3|C<3>,3|H<1>}	121.4540	0.000	1	120.9542	0.960	16	120.7661	0.780	37	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2{1|C<2>,2|H<1>,4|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|N<2>,1|O<2>,2|C<3>,2|H<1>,2|N<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|H<1>,3|C<3>}	121.3075	0.810	2	120.9542	0.960	16	120.7661	0.780	37	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2{1|C<2>,2|H<1>,4|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<2>,2|H<1>,2|N<3>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|H<1>,3|C<3>}	120.6405	2.312	2	120.9542	0.960	16	120.7661	0.780	37	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|N<3>,1|S<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){3|C<3>,3|H<1>}	120.5055	1.412	2	120.9542	0.960	16	120.7661	0.780	37	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<2>,1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){3|C<3>,3|H<1>}	120.9644	0.866	8	120.9542	0.960	16	120.7661	0.780	37	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]N)(H)	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2{1|C<2>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|N<2>,1|O<2>,2|C<3>,2|H<1>,2|N<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]N)(H){3|C<3>,3|H<1>}	120.2930	0.000	1	120.2930	0.000	1	120.7661	0.780	37	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H)	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2{1|C<2>,2|O<2>,4|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|N<2>,1|O<2>,2|C<3>,2|H<1>,2|N<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H){1|O<2>,2|H<1>,3|C<3>}	119.7545	1.469	2	119.7545	2.157	2	120.7661	0.780	37	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]H)(H){1|N<2>,1|N<3>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){3|C<3>,3|H<1>}	121.2115	1.522	2	121.2115	2.318	2	120.7661	0.780	37	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[5a,6]C[5a,6]S[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2{1|C<2>,1|S<2>,2|H<1>,3|C<3>}	C[6](C[5a,6]C[5a,6]S[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|H<1>,3|C<3>}	120.9065	0.233	2	120.7873	0.428	9	120.7661	0.780	37	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[5a,6]C[5a,6]S[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2{1|H<1>,1|N<3>,1|S<2>,4|C<3>}	C[6](C[5a,6]C[5a,6]S[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){3|C<3>,3|H<1>}	120.5940	0.000	1	120.7873	0.428	9	120.7661	0.780	37	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[5a,6]C[5a,6]S[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2{1|S<2>,2|H<1>,4|C<3>}	C[6](C[5a,6]C[5a,6]S[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,2|H<1>,3|C<3>}	120.8105	1.476	2	120.7873	0.428	9	120.7661	0.780	37	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[5a,6]C[5a,6]S[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2{1|S<2>,2|H<1>,4|C<3>}	C[6](C[5a,6]C[5a,6]S[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|H<1>,3|C<3>}	121.0085	0.043	2	120.7873	0.428	9	120.7661	0.780	37	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[5a,6]C[5a,6]S[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2{1|S<2>,2|H<1>,4|C<3>}	C[6](C[5a,6]C[5a,6]S[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){3|C<3>,3|H<1>}	120.5205	0.941	2	120.7873	0.428	9	120.7661	0.780	37	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[5a,6]C[5a,6]S[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]N)(H)	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2{1|H<1>,1|N<3>,1|S<2>,4|C<3>}	C[6](C[5a,6]C[5a,6]S[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]N)(H){3|C<3>,3|H<1>}	120.3920	0.000	1	120.3920	0.000	1	120.7661	0.780	37	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[5a,6]N[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	C[6](C[5a,6]N[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]H)(H){2|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,2|H<1>,3|C<3>}	120.9035	0.681	2	120.9035	0.464	2	120.7661	0.780	37	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5a,6]N[6]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]S)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5a,6]N[6]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|S<4>,2|C<3>,2|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]S)(H){3|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	120.5410	0.000	1	120.5410	0.000	1	120.5042	2.165	47	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5a,6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5a,6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]H)(H){1|C<4>,1|N<3>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|C<3>,2|H<1>,2|N<3>}	119.0380	0.000	1	119.0380	0.000	1	120.5042	2.165	47	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5a,6]N[6]H)(C[6a]C[6a]H)2	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(N[6]N[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5a,6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(N[6]N[6]C)(H){1|N<2>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,3|H<1>}	120.7725	0.978	2	120.7725	0.956	2	120.5042	2.165	47	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5a,6]N[6]H)(C[6a]C[6a]H)2	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5a,6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]C)(H){2|C<4>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,3|H<1>}	120.3115	2.739	2	120.5028	2.831	8	120.5042	2.165	47	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5a,6]N[6]H)(C[6a]C[6a]H)2	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5a,6]N[6]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]C)(H){1|C<4>,4|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|N<3>,2|C<3>,2|H<1>}	120.5480	0.198	2	120.5028	2.831	8	120.5042	2.165	47	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5a,6]N[6]H)(C[6a]C[6a]H)2	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5a,6]N[6]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]C)(H){1|C<4>,4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|C<3>,2|H<1>,2|N<3>}	120.5757	2.015	4	120.5028	2.831	8	120.5042	2.165	47	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5a,6]N[6]H)(C[6a]C[6a]H)2	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5a,6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]H)(H){1|C<4>,4|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,3|H<1>}	120.4810	0.478	8	120.5995	1.690	10	120.5042	2.165	47	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5a,6]N[6]H)(C[6a]C[6a]H)2	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5a,6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]H)(H){1|C<4>,4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	121.0735	3.613	2	120.5995	1.690	10	120.5042	2.165	47	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5a,6]N[6]H)(C[6a]C[6a]H)2	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]S)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Br)(H)	C[6a](C[6]C[5a,6]N[6]H)(C[6a]C[6a]H)2{1|Br<1>,1|C<4>,1|H<1>,1|N<3>,1|S<4>,2|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]S)(H){2|C<4>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Br)(H){1|N<3>,2|C<3>,3|H<1>}	119.5810	0.000	1	119.5810	0.000	1	120.5042	2.165	47	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5a,6]N[6]H)(C[6a]C[6a]H)2	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]S)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5a,6]N[6]H)(C[6a]C[6a]H)2{1|Br<1>,1|C<4>,1|H<1>,1|N<3>,1|S<4>,2|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]S)(H){2|C<4>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,3|H<1>}	121.3920	0.000	1	120.8224	2.077	7	120.5042	2.165	47	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5a,6]N[6]H)(C[6a]C[6a]H)2	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]S)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5a,6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|S<4>,2|C<3>,2|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]S)(H){1|C<4>,4|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,3|H<1>}	120.6958	1.872	4	120.8224	2.077	7	120.5042	2.165	47	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5a,6]N[6]H)(C[6a]C[6a]H)2	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]S)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5a,6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|S<4>,2|C<3>,2|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]S)(H){2|C<4>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,3|H<1>}	120.7910	1.249	2	120.8224	2.077	7	120.5042	2.165	47	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5a,6]N[6]H)(C[6a]C[6a]H)2	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(N[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5a,6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(N[6]C[6]C)(H){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|N<3>,2|C<3>,2|H<1>}	120.7700	1.209	2	120.7700	1.462	2	120.5042	2.165	47	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5a,6]N[6]H)(C[6a]C[6a]H)2	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5a,6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(N[6]C[6]H)(H){1|C<4>,1|N<3>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|N<3>,2|C<3>,2|H<1>}	120.5825	1.010	2	120.5825	1.021	2	120.5042	2.165	47	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5a,6]N[6]H)(C[6a]C[6a]H)2	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(N[6]C[6]S)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5a,6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|S<4>,2|H<1>,3|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(N[6]C[6]S)(H){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|F<1>,1|N<3>,2|C<3>,2|H<1>}	120.8850	1.596	4	120.8850	2.547	4	120.5042	2.165	47	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5a,6]N[6]H)(C[6a]C[6a]H)2	C[6](C[5a,6]N[5a,6]C[5a])(C[6a]C[6a]2)(N[6]C[6]S)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5a,6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|S<4>,2|C<3>,2|H<1>}	C[6](C[5a,6]N[5a,6]C[5a])(C[6a]C[6a]2)(N[6]C[6]S)(H){2|C<4>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|F<1>,1|N<3>,2|C<3>,2|H<1>}	120.7315	0.525	2	120.4169	4.011	8	120.5042	2.165	47	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5a,6]N[6]H)(C[6a]C[6a]H)2	C[6](C[5a,6]N[5a,6]C[5a])(C[6a]C[6a]2)(N[6]C[6]S)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5a,6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|S<4>,2|C<3>,2|H<1>}	C[6](C[5a,6]N[5a,6]C[5a])(C[6a]C[6a]2)(N[6]C[6]S)(H){2|C<4>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|C<3>,2|H<1>,2|N<3>}	120.3665	3.020	4	120.4169	4.011	8	120.5042	2.165	47	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5a,6]N[6]H)(C[6a]C[6a]H)2	C[6](C[5a,6]N[5a,6]C[5a])(C[6a]C[6a]2)(N[6]C[6]S)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5a,6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|S<4>,2|C<3>,2|H<1>}	C[6](C[5a,6]N[5a,6]C[5a])(C[6a]C[6a]2)(N[6]C[6]S)(H){3|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|C<3>,2|H<1>,2|N<3>}	120.2030	0.383	2	120.4169	4.011	8	120.5042	2.165	47	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5a,6]N[6]H)(C[6a]C[6a]N[5])(C[6a]C[6a]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5a,6]N[6]H)(C[6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]H)(H){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|C<3>,2|H<1>,2|N<3>}	117.6390	0.000	1	117.6390	0.000	1	120.5042	2.165	47	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:N[5,6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5a,6]N[5,6]H)(C[6a]C[6a]H)2	C[6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5a,6]N[5,6]H)(C[6a]C[6a]H)2{1|C<4>,1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<1>,4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,3|H<1>}	122.2720	0.000	1	122.2720	0.000	1	120.5493	2.945	4	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:N[5,6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5a,6]N[5,6]H)(C[6a]C[6a]H)2	C[6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H)	C[6a](C[6]C[5a,6]N[5,6]H)(C[6a]C[6a]H)2{1|C<4>,1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<1>,4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H){1|N<3>,2|C<3>,3|H<1>}	119.0620	0.000	1	119.0620	0.000	1	120.5493	2.945	4	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:N[5,6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5a,6]N[5,6]H)(C[6a]C[6a]H)2	C[6](C[5a,6]N[5a,6]N[5a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5a,6]N[5,6]H)(C[6a]C[6a]H)2{1|C<3>,1|N<2>,1|N<3>,2|C<4>,2|H<1>}	C[6](C[5a,6]N[5a,6]N[5a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H){2|C<3>,2|N<2>,3|C<4>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,3|H<1>}	120.4315	1.904	2	120.4315	3.626	2	120.5493	2.945	4	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:N[5a,6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5a,6]N[5a,6]H)(C[6a]C[6a]H)2	C[6](C[5a,6]C[5a,6,6]C[5a])(N[5a,6]N[5a,6]C[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5a,6]N[5a,6]H)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[6](C[5a,6]C[5a,6,6]C[5a])(N[5a,6]N[5a,6]C[5a])(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<1>,1|S<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,3|H<1>}	120.3515	1.517	2	120.3515	2.301	2	120.3515	2.301	2	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:N[6,6]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5a,6]N[6,6]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H)	C[6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[6])(H)	C[6a](C[6]C[5a,6]N[6,6]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|O<1>,2|C<4>,4|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[6])(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	117.5367	0.355	3	117.5367	0.126	3	117.5367	0.126	3	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:N[6,6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5a,6]N[6,6]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H)	C[6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[5,6a]H)(H)	C[6a](C[6]C[5a,6]N[6,6]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|O<1>,2|C<4>,4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[5,6a]H)(H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	121.7317	0.187	3	121.7317	0.035	3	121.7317	0.035	3	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:N[6]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5a,6]N[6]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H)	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[6])(H)	C[6a](C[6]C[5a,6]N[6]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){3|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[6])(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	117.7680	0.000	1	117.7680	0.000	1	117.7680	0.000	1	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:N[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5a,6]N[6]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H)	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[5,6a]H)(H)	C[6a](C[6]C[5a,6]N[6]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[5,6a]H)(H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	121.1860	0.000	1	121.1860	0.000	1	119.7374	5.215	14	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:N[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5a,6]N[6]H)(C[6a]C[6a,6a]C)(C[6a]C[6a]H)	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C[6])(H)	C[6a](C[6]C[5a,6]N[6]H)(C[6a]C[6a,6a]C)(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){2|H<1>,7|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C[6])(H){1|H<1>,1|N<3>,4|C<3>}	117.1910	2.734	4	117.1910	7.475	4	119.7374	5.215	14	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:N[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5a,6]N[6]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5a,6]N[6]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){1|C<2>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<2>,1|N<3>,2|C<3>,2|H<1>}	120.1770	0.000	1	120.1770	0.000	1	119.7374	5.215	14	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:N[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5a,6]N[6]H)(C[6a]C[6a]H)2	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6a]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5a,6]N[6]H)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6a]C[6])(C[6a]C[6a]2)(H){1|C<4>,2|H<1>,8|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,3|H<1>}	120.7280	1.068	2	120.9197	1.689	4	119.7374	5.215	14	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:N[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5a,6]N[6]H)(C[6a]C[6a]H)2	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6a]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5a,6]N[6]H)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6a]C[6])(C[6a]C[6a]2)(H){2|H<1>,9|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,3|H<1>}	121.1115	1.944	2	120.9197	1.689	4	119.7374	5.215	14	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:N[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5a,6]N[6]H)(C[6a]C[6a]H)2	C[6](C[5a,6]C[5a,6a]C[5a,6])(N[6]C[6a]O[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5a,6]N[6]H)(C[6a]C[6a]H)2{1|O<2>,2|H<1>,4|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(N[6]C[6a]O[6])(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,3|H<1>}	121.0305	0.285	2	121.0305	0.081	2	119.7374	5.215	14	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:N[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5a,6]N[6]H)(C[6a]C[6a]H)2	C[6](C[5a,6]C[5a,6a]N[5a,6])(N[6]C[6,6a]C)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5a,6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6](C[5a,6]C[5a,6a]N[5a,6])(N[6]C[6,6a]C)(C[6a]C[6a]2)(H){1|N<3>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|C<3>,2|H<1>,2|N<3>}	120.2280	1.607	2	120.2280	2.581	2	119.7374	5.215	14	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-3:C[6,6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[6]C[6,6]2H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl)	C[6a](C[6]C[6,6]2H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H){1|Cl<1>,1|H<1>,1|O<2>,2|C<3>,2|O<1>,4|C<4>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl){1|Cl<1>,2|H<1>,3|C<3>}	124.2540	0.000	1	124.2540	0.000	1	124.2540	0.000	1	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-3:C[6,6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]2H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]2H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H){1|Cl<1>,1|H<1>,1|O<2>,2|C<3>,2|O<1>,4|C<4>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|Cl<1>,1|H<1>,3|C<3>}	118.8630	0.000	1	118.8630	0.000	1	120.9165	1.142	101	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-3:C[6,6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]2H)(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]2H)(C[6a]C[6a]H)(C[6a]C[6a]N){2|H<1>,5|C<3>}	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>,2|O<1>,4|C<4>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,2|N<3>,3|C<3>}	117.3370	0.000	1	117.3935	0.006	2	120.9165	1.142	101	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-3:C[6,6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]2H)(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]2H)(C[6a]C[6a]H)(C[6a]C[6a]N){2|H<1>,5|C<3>}	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H){1|H<1>,2|C<3>,2|N<3>,2|O<1>,4|C<4>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|H<1>,3|C<3>}	117.4500	0.000	1	117.3935	0.006	2	120.9165	1.142	101	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-3:C[6,6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]2H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Br)(H)	C[6a](C[6]C[6,6]2H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|Br<1>,1|H<1>,5|C<3>}	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H){1|H<1>,2|C<3>,2|O<1>,2|O<2>,4|C<4>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Br)(H){1|O<2>,2|H<1>,3|C<3>}	119.6000	0.000	1	119.6000	0.000	1	120.9165	1.142	101	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-3:C[6,6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]2H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Cl)(H)	C[6a](C[6]C[6,6]2H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|Br<1>,1|Cl<1>,5|C<3>}	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>,2|O<1>,4|C<4>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Cl)(H){1|O<2>,2|H<1>,3|C<3>}	120.4910	0.451	2	120.4910	0.204	2	120.9165	1.142	101	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-3:C[6,6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]2H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]2H)(C[6a]C[6a]H)(C[6a]C[6a]O){2|H<1>,5|C<3>}	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>,2|O<1>,4|C<4>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|H<1>,3|C<3>}	121.4187	0.363	3	121.4187	0.132	3	120.9165	1.142	101	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-3:C[6,6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]2H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Br)(H)	C[6a](C[6]C[6,6]2H)(C[6a]C[6a]H)2{1|Br<1>,1|C<4>,1|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|C<4>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Br)(H){1|F<1>,2|H<1>,3|C<3>}	121.6940	0.000	1	121.6940	0.000	1	120.9165	1.142	101	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-3:C[6,6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]2H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Cl)(H)	C[6a](C[6]C[6,6]2H)(C[6a]C[6a]H)2{1|Cl<1>,1|H<1>,5|C<3>}	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H){1|N<3>,2|C<3>,2|H<1>,2|O<1>,4|C<4>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Cl)(H){1|Cl<1>,2|H<1>,3|C<3>}	121.9440	0.000	1	121.9440	0.000	1	120.9165	1.142	101	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-3:C[6,6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]2H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]F)(H)	C[6a](C[6]C[6,6]2H)(C[6a]C[6a]H)2{1|F<1>,1|H<1>,5|C<3>}	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H){1|N<3>,2|C<3>,2|H<1>,2|O<1>,4|C<4>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]F)(H){3|C<3>,3|H<1>}	121.6580	0.000	1	121.6580	0.000	1	120.9165	1.142	101	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-3:C[6,6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]2H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]2H)(C[6a]C[6a]H)2{1|Br<1>,1|C<4>,1|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|C<4>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|F<1>,2|H<1>,3|C<3>}	119.7000	0.000	1	121.0412	0.948	74	120.9165	1.142	101	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-3:C[6,6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]2H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]2H)(C[6a]C[6a]H)2{1|Cl<1>,1|H<1>,5|C<3>}	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H){1|N<3>,2|C<3>,2|H<1>,2|O<1>,4|C<4>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,2|H<1>,3|C<3>}	119.7990	0.000	1	121.0412	0.948	74	120.9165	1.142	101	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-3:C[6,6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]2H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]2H)(C[6a]C[6a]H)2{1|F<1>,1|H<1>,5|C<3>}	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H){1|N<3>,2|C<3>,2|H<1>,2|O<1>,4|C<4>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){3|C<3>,3|H<1>}	120.5290	0.000	1	121.0412	0.948	74	120.9165	1.142	101	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-3:C[6,6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]2H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]2H)(C[6a]C[6a]H)2{1|H<1>,1|N<3>,5|C<3>}	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H){1|N<3>,2|C<3>,2|H<1>,2|O<1>,4|C<4>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){3|C<3>,3|H<1>}	120.2080	0.000	1	121.0412	0.948	74	120.9165	1.142	101	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-3:C[6,6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]2H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]2H)(C[6a]C[6a]H)2{1|H<1>,1|N<3>,5|C<3>}	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H){1|O<2>,2|C<3>,2|H<1>,2|O<1>,4|C<4>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){3|C<3>,3|H<1>}	121.7320	0.000	1	121.0412	0.948	74	120.9165	1.142	101	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-3:C[6,6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]2H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]2H)(C[6a]C[6a]H)2{1|H<1>,1|O<2>,5|C<3>}	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H){1|N<3>,2|C<3>,2|H<1>,2|O<1>,4|C<4>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|H<1>,3|C<3>}	121.0935	0.487	4	121.0412	0.948	74	120.9165	1.142	101	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-3:C[6,6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]2H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]2H)(C[6a]C[6a]H)2{1|H<1>,1|O<2>,5|C<3>}	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H){1|O<2>,2|C<3>,2|H<1>,2|O<1>,4|C<4>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|H<1>,3|C<3>}	120.9862	0.844	4	121.0412	0.948	74	120.9165	1.142	101	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-3:C[6,6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]2H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]2H)(C[6a]C[6a]H)2{1|H<1>,1|O<2>,5|C<3>}	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H){1|O<2>,2|C<3>,2|H<1>,2|O<1>,4|C<4>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){3|C<3>,3|H<1>}	119.8960	0.000	1	121.0412	0.948	74	120.9165	1.142	101	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-3:C[6,6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]2H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]2H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H){1|N<3>,2|C<3>,2|H<1>,2|O<1>,4|C<4>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,2|H<1>,3|C<3>}	121.1670	0.877	4	121.0412	0.948	74	120.9165	1.142	101	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-3:C[6,6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]2H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]2H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H){1|N<3>,2|C<3>,2|H<1>,2|O<1>,4|C<4>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	120.8895	2.362	2	121.0412	0.948	74	120.9165	1.142	101	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-3:C[6,6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]2H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]2H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H){1|N<3>,2|C<3>,2|H<1>,2|O<1>,4|C<4>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,2|H<1>,3|C<3>}	121.0179	1.054	12	121.0412	0.948	74	120.9165	1.142	101	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-3:C[6,6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]2H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]2H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H){1|N<3>,2|C<3>,2|H<1>,2|O<1>,4|C<4>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|F<1>,2|H<1>,3|C<3>}	120.7742	0.544	6	121.0412	0.948	74	120.9165	1.142	101	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-3:C[6,6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]2H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]2H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H){1|N<3>,2|C<3>,2|H<1>,2|O<1>,4|C<4>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|H<1>,3|C<3>}	121.5542	0.689	4	121.0412	0.948	74	120.9165	1.142	101	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-3:C[6,6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]2H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]2H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H){1|N<3>,2|C<3>,2|H<1>,2|O<1>,4|C<4>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|H<1>,3|C<3>}	121.3466	1.267	16	121.0412	0.948	74	120.9165	1.142	101	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-3:C[6,6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]2H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]2H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H){1|N<3>,2|C<3>,2|H<1>,2|O<1>,4|C<4>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,4|C<3>}	121.4183	1.136	4	121.0412	0.948	74	120.9165	1.142	101	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-3:C[6,6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]2H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]2H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H){1|O<2>,2|C<3>,2|H<1>,2|O<1>,4|C<4>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,2|H<1>,3|C<3>}	120.5670	1.919	2	121.0412	0.948	74	120.9165	1.142	101	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-3:C[6,6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]2H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]2H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H){1|O<2>,2|C<3>,2|H<1>,2|O<1>,4|C<4>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|H<1>,3|C<3>}	121.1422	0.499	4	121.0412	0.948	74	120.9165	1.142	101	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-3:C[6,6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]2H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]2H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H){1|O<2>,2|C<3>,2|H<1>,2|O<1>,4|C<4>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,4|C<3>}	120.8140	0.273	2	121.0412	0.948	74	120.9165	1.142	101	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-3:C[6,6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]2H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]2H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H){1|O<2>,2|C<3>,2|H<1>,2|O<1>,4|C<4>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){3|C<3>,3|H<1>}	120.6985	0.100	4	121.0412	0.948	74	120.9165	1.142	101	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-3:C[6,6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]2H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]N)(H)	C[6a](C[6]C[6,6]2H)(C[6a]C[6a]H)2{1|H<1>,1|N<3>,5|C<3>}	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H){1|N<3>,2|C<3>,2|H<1>,2|O<1>,4|C<4>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]N)(H){3|C<3>,3|H<1>}	121.4390	0.000	1	120.5975	1.416	2	120.9165	1.142	101	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-3:C[6,6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]2H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]N)(H)	C[6a](C[6]C[6,6]2H)(C[6a]C[6a]H)2{1|H<1>,1|N<3>,5|C<3>}	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H){1|O<2>,2|C<3>,2|H<1>,2|O<1>,4|C<4>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]N)(H){3|C<3>,3|H<1>}	119.7560	0.000	1	120.5975	1.416	2	120.9165	1.142	101	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-3:C[6,6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]2H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H)	C[6a](C[6]C[6,6]2H)(C[6a]C[6a]H)2{1|H<1>,1|O<2>,5|C<3>}	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H){1|N<3>,2|C<3>,2|H<1>,2|O<1>,4|C<4>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H){1|O<2>,2|H<1>,3|C<3>}	121.0127	0.178	4	120.6305	0.477	11	120.9165	1.142	101	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-3:C[6,6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]2H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H)	C[6a](C[6]C[6,6]2H)(C[6a]C[6a]H)2{1|H<1>,1|O<2>,5|C<3>}	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H){1|O<2>,2|C<3>,2|H<1>,2|O<1>,4|C<4>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H){1|O<2>,2|H<1>,3|C<3>}	120.1565	0.882	4	120.6305	0.477	11	120.9165	1.142	101	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-3:C[6,6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]2H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H)	C[6a](C[6]C[6,6]2H)(C[6a]C[6a]H)2{1|H<1>,1|O<2>,5|C<3>}	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H){1|O<2>,2|C<3>,2|H<1>,2|O<1>,4|C<4>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H){3|C<3>,3|H<1>}	121.3900	0.000	1	120.6305	0.477	11	120.9165	1.142	101	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-3:C[6,6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]2H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H)	C[6a](C[6]C[6,6]2H)(C[6a]C[6a]H)2{2|O<2>,5|C<3>}	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H){1|O<2>,2|C<3>,2|H<1>,2|O<1>,4|C<4>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H){1|O<2>,2|H<1>,3|C<3>}	120.4345	0.453	2	120.6305	0.477	11	120.9165	1.142	101	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-3:C[6,6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]2H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]N[6a]H)(H)	C[6a](C[6]C[6,6]2H)(C[6a]C[6a]H)2{1|N<2>,2|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H){1|N<3>,2|C<3>,2|H<1>,2|O<1>,4|C<4>}	C[6a](C[6a]C[6a]C[6])(C[6a]N[6a]H)(H){2|H<1>,3|C<3>}	121.8005	0.658	2	121.8005	0.433	2	120.9165	1.142	101	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-3:C[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]C)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{1|C<2>,2|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]C)(C[6a]C[6a]2)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>,2|N<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|F<1>,2|H<1>,3|C<3>}	120.7390	0.988	4	121.1273	0.880	14	121.1753	0.943	22	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-3:C[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]C)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]C)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,1|S<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	121.5090	0.893	4	121.1273	0.880	14	121.1753	0.943	22	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-3:C[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]C)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]C)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,1|S<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|H<1>,3|C<3>}	121.5950	1.980	2	121.1273	0.880	14	121.1753	0.943	22	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-3:C[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]C)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]C)(C[6a]C[6a]2)(H){1|O<1>,2|H<1>,2|N<3>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,2|H<1>,3|C<3>}	120.9000	0.346	4	121.1273	0.880	14	121.1753	0.943	22	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-3:C[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[5a]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[5a]C[6])(C[6a]C[6a]2)(H){1|C<4>,1|N<2>,1|N<3>,2|O<2>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|H<1>,3|C<3>}	121.1215	0.547	2	121.1215	0.299	2	121.1753	0.943	22	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-3:C[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]C)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{1|C<2>,2|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]C)(C[6a]C[6a]2)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>,2|N<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,2|H<1>,3|C<3>}	121.4800	1.588	4	121.4800	2.521	4	121.1753	0.943	22	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-3:C[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|C<4>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|H<1>,3|C<3>}	120.9560	0.086	2	120.9560	0.007	2	121.1753	0.943	22	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H)	C[6](C[6,6]C[6,6a]C[6,6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[6])(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|C<2>,1|H<1>,1|O<2>,4|C<3>}	C[6](C[6,6]C[6,6a]C[6,6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[6])(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	119.7990	0.000	1	119.7990	0.000	1	119.7990	0.000	1	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:Br-1:	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Br)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]Br)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|Br<1>,1|H<1>,1|N<3>,1|O<1>,2|C<3>,3|C<4>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Br){3|C<3>,3|H<1>}	125.0320	0.485	2	125.0320	0.235	2	125.0320	0.235	2	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<2>,2|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|Cl<1>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl){3|C<3>,3|H<1>}	123.3430	1.516	3	124.1041	1.399	8	124.3346	1.702	9	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<2>,2|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|Cl<1>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl){3|C<3>,3|H<1>}	125.3470	0.000	1	124.1041	1.399	8	124.3346	1.702	9	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<2>,2|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|Cl<1>,1|H<1>,1|O<1>,2|C<3>,2|C<4>,2|N<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl){3|C<3>,3|H<1>}	123.3500	0.000	1	124.1041	1.399	8	124.3346	1.702	9	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|Cl<1>,1|H<1>,5|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|Cl<1>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl){3|C<3>,3|H<1>}	124.3560	0.000	1	124.1041	1.399	8	124.3346	1.702	9	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|Cl<1>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl){3|C<3>,3|H<1>}	124.8755	0.301	2	124.1041	1.399	8	124.3346	1.702	9	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6](C[6,6]C[6,6a]C[6,6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6](C[6,6]C[6,6a]C[6,6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|Cl<1>,1|C<4>,1|H<1>,1|N<3>,1|O<2>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl){3|C<3>,3|H<1>}	126.1780	0.000	1	126.1780	0.000	1	124.3346	1.702	9	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]F)(C[6a]C[6a]H)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(F)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]F)(C[6a]C[6a]H){1|C<4>,1|H<1>,5|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|F<1>,1|H<1>,1|N<3>,1|O<1>,2|C<3>,3|C<4>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(F){3|C<3>,3|H<1>}	122.8290	0.000	1	122.8290	0.000	1	122.2805	0.156	4	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]F)(C[6a]C[6a]H)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]F)(F)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]F)(C[6a]C[6a]H){1|F<1>,1|H<1>,5|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|F<1>,1|H<1>,1|N<3>,1|O<1>,2|C<3>,3|C<4>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]F)(F){3|C<3>,3|H<1>}	121.9985	0.087	2	121.9985	0.008	2	122.2805	0.156	4	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]F)(C[6a]C[6a]H)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(F)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]F)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|F<1>,1|H<1>,1|N<3>,1|O<1>,2|C<3>,3|C<4>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(F){3|C<3>,3|H<1>}	122.2960	0.000	1	122.2960	0.000	1	122.2805	0.156	4	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H)	C[6](C[6,6]C[6,6a]C[6,6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[5,6a]H)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|C<2>,1|H<1>,1|O<2>,4|C<3>}	C[6](C[6,6]C[6,6a]C[6,6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[5,6a]H)(H){1|O<2>,2|H<1>,3|C<3>}	120.7470	0.000	1	120.7470	0.000	1	120.6387	1.275	103	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]Br)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|Br<1>,1|H<1>,1|N<3>,1|O<1>,2|C<3>,3|C<4>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,2|H<1>,3|C<3>}	118.2130	0.902	2	118.2130	0.814	2	120.6387	1.275	103	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Cl)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|Cl<1>,1|H<1>,5|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|Cl<1>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Cl)(H){1|Cl<1>,2|H<1>,3|C<3>}	118.6820	0.000	1	118.6820	0.000	1	120.6387	1.275	103	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<2>,2|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|Cl<1>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,2|H<1>,3|C<3>}	119.3800	0.902	3	119.0211	0.551	7	120.6387	1.275	103	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<2>,2|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|Cl<1>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,2|H<1>,3|C<3>}	118.0260	0.000	1	119.0211	0.551	7	120.6387	1.275	103	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<2>,2|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|Cl<1>,1|H<1>,1|O<1>,2|C<3>,2|C<4>,2|N<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,2|H<1>,3|C<3>}	119.4360	0.000	1	119.0211	0.551	7	120.6387	1.275	103	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|Cl<1>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,2|H<1>,3|C<3>}	118.7730	0.078	2	119.0211	0.551	7	120.6387	1.275	103	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6](C[6,6]C[6,6a]C[6,6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6](C[6,6]C[6,6a]C[6,6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|Cl<1>,1|C<4>,1|H<1>,1|N<3>,1|O<2>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,2|H<1>,3|C<3>}	117.8560	0.000	1	117.8560	0.000	1	120.6387	1.275	103	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]F)(C[6a]C[6a]H)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]F)(C[6a]C[6a]H){1|C<4>,1|H<1>,5|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|F<1>,1|H<1>,1|N<3>,1|O<1>,2|C<3>,3|C<4>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|F<1>,2|H<1>,3|C<3>}	120.7850	0.000	1	121.1697	0.113	4	120.6387	1.275	103	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]F)(C[6a]C[6a]H)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]F)(C[6a]C[6a]H){1|F<1>,1|H<1>,5|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|F<1>,1|H<1>,1|N<3>,1|O<1>,2|C<3>,3|C<4>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|F<1>,2|H<1>,3|C<3>}	121.4205	0.228	2	121.1697	0.113	4	120.6387	1.275	103	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]F)(C[6a]C[6a]H)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]F)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|F<1>,1|H<1>,1|N<3>,1|O<1>,2|C<3>,3|C<4>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|F<1>,2|H<1>,3|C<3>}	121.0530	0.000	1	121.1697	0.113	4	120.6387	1.275	103	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<2>,2|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>,2|O<2>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|H<1>,3|C<3>}	117.8020	0.000	1	117.8020	0.000	1	120.6387	1.275	103	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]N)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<3>,2|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]N)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>,2|O<2>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|H<1>,3|C<3>}	119.7440	0.000	1	119.7440	0.000	1	120.6387	1.275	103	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6](C[6,6]C[6,6]S[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<2>,1|S<4>,2|H<1>,3|C<3>}	C[6](C[6,6]C[6,6]S[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|H<1>,1|N<3>,2|O<1>,3|C<3>,3|O<2>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|H<1>,3|C<3>}	119.5730	0.000	1	119.5730	0.000	1	120.6387	1.275	103	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Br)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{1|Br<1>,1|H<1>,5|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Br)(H){3|C<3>,3|H<1>}	119.5200	0.000	1	119.5200	0.000	1	120.6387	1.275	103	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Cl)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{1|Cl<1>,1|H<1>,5|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Cl)(H){3|C<3>,3|H<1>}	120.5730	0.000	1	120.5430	0.002	2	120.6387	1.275	103	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Cl)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{1|Cl<1>,1|H<1>,5|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Cl)(H){3|C<3>,3|H<1>}	120.5130	0.000	1	120.5430	0.002	2	120.6387	1.275	103	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{1|Br<1>,1|H<1>,5|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){3|C<3>,3|H<1>}	121.9160	0.000	1	121.0458	0.886	58	120.6387	1.275	103	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{1|C<2>,1|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|N<3>,1|O<2>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|H<1>,3|C<3>}	121.3450	0.509	2	121.0458	0.886	58	120.6387	1.275	103	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{1|C<2>,1|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|O<2>,2|N<3>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,2|H<1>,3|C<3>}	120.5755	1.074	2	121.0458	0.886	58	120.6387	1.275	103	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{1|C<2>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){3|C<3>,3|H<1>}	120.8090	0.000	1	121.0458	0.886	58	120.6387	1.275	103	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{1|C<2>,2|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,2|H<1>,3|C<3>}	120.9280	1.181	2	121.0458	0.886	58	120.6387	1.275	103	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{1|C<2>,2|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	121.3530	0.592	4	121.0458	0.886	58	120.6387	1.275	103	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{1|C<2>,2|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,2|H<1>,3|C<3>}	121.0007	0.749	8	121.0458	0.886	58	120.6387	1.275	103	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{1|C<2>,2|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|H<1>,3|C<3>}	121.7255	0.713	2	121.0458	0.886	58	120.6387	1.275	103	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{1|C<2>,2|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|H<1>,3|C<3>}	121.1628	1.074	4	121.0458	0.886	58	120.6387	1.275	103	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{1|C<2>,2|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){3|C<3>,3|H<1>}	121.1008	0.274	4	121.0458	0.886	58	120.6387	1.275	103	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{1|C<2>,2|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|H<1>,3|C<3>}	120.8635	0.906	2	121.0458	0.886	58	120.6387	1.275	103	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{1|C<2>,2|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<4>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,2|H<1>,3|C<3>}	119.5615	2.246	2	121.0458	0.886	58	120.6387	1.275	103	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{1|C<2>,2|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>,2|N<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,2|H<1>,3|C<3>}	120.7040	1.027	2	121.0458	0.886	58	120.6387	1.275	103	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{1|C<2>,2|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>,2|N<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|H<1>,3|C<3>}	120.9030	0.520	2	121.0458	0.886	58	120.6387	1.275	103	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{1|C<2>,2|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>,2|N<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){3|C<3>,3|H<1>}	120.9745	0.774	4	121.0458	0.886	58	120.6387	1.275	103	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{1|Cl<1>,1|H<1>,5|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){3|C<3>,3|H<1>}	120.1630	0.000	1	121.0458	0.886	58	120.6387	1.275	103	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{1|Cl<1>,1|H<1>,5|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){3|C<3>,3|H<1>}	121.0000	0.000	1	121.0458	0.886	58	120.6387	1.275	103	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	121.3245	0.291	2	121.0458	0.886	58	120.6387	1.275	103	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|F<1>,2|H<1>,3|C<3>}	121.1805	1.115	2	121.0458	0.886	58	120.6387	1.275	103	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,2|H<1>,3|C<3>}	121.1900	1.612	4	121.0458	0.886	58	120.6387	1.275	103	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	121.2205	2.814	2	121.0458	0.886	58	120.6387	1.275	103	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|H<1>,3|C<3>}	121.4515	0.658	2	121.0458	0.886	58	120.6387	1.275	103	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|H<1>,3|C<3>}	121.0360	1.735	2	121.0458	0.886	58	120.6387	1.275	103	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]N)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{1|C<2>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]N)(H){3|C<3>,3|H<1>}	120.6440	0.000	1	120.6440	0.000	1	120.6387	1.275	103	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{2|O<2>,5|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H){1|O<2>,2|H<1>,3|C<3>}	120.2620	0.639	6	120.2620	0.408	6	120.6387	1.275	103	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]H)(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,2|H<1>,3|C<3>}	120.7475	0.942	4	120.7475	0.887	4	120.6387	1.275	103	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]N)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]N)(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,2|H<1>,3|C<3>}	120.8005	0.172	2	120.8240	0.549	8	120.6387	1.275	103	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]N)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]N)(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	120.9100	1.185	2	120.8240	0.549	8	120.6387	1.275	103	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]N)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]N)(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|H<1>,3|C<3>}	120.4665	1.166	2	120.8240	0.549	8	120.6387	1.275	103	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]N)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]N)(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|H<1>,3|C<3>}	121.1190	0.778	2	120.8240	0.549	8	120.6387	1.275	103	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6a]C[6,6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Cl)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{1|Cl<1>,1|C<2>,1|H<1>,4|C<3>}	C[6](C[6,6]C[6,6a]C[6,6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Cl)(H){3|C<3>,3|H<1>}	120.4040	0.000	1	120.4040	0.000	1	120.6387	1.275	103	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6a]C[6,6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{1|C<2>,2|H<1>,4|C<3>}	C[6](C[6,6]C[6,6a]C[6,6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|H<1>,3|C<3>}	121.4130	0.615	2	121.2203	0.301	3	120.6387	1.275	103	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6a]C[6,6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{1|Cl<1>,1|C<2>,1|H<1>,4|C<3>}	C[6](C[6,6]C[6,6a]C[6,6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){3|C<3>,3|H<1>}	120.8350	0.000	1	121.2203	0.301	3	120.6387	1.275	103	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-3:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]F)(C[6a]C[6a]H)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(F)	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]F)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(N[6]C[6]H)(H){1|C<4>,1|F<1>,2|N<3>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(F){1|N<3>,2|C<3>,3|H<1>}	121.3910	0.069	2	121.3910	0.005	2	121.3910	0.005	2	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-3:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]F)(C[6a]C[6a]H)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]F)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(N[6]C[6]H)(H){1|C<4>,1|F<1>,2|N<3>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|F<1>,1|N<3>,2|C<3>,2|H<1>}	122.1470	0.276	2	122.1470	0.076	2	121.1440	2.033	8	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-3:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(N[6]C[6]H)(H){1|C<4>,2|N<3>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|F<1>,1|N<3>,2|C<3>,2|H<1>}	120.7190	0.914	2	120.9557	0.388	4	121.1440	2.033	8	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-3:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(N[6]C[6]H)(H){1|N<3>,1|O<1>,1|S<1>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|N<3>,2|C<3>,2|H<1>}	121.1925	0.325	2	120.9557	0.388	4	121.1440	2.033	8	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-3:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(N[6]C[6]S)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|S<4>,2|H<1>,3|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(N[6]C[6]S)(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,3|H<1>}	120.5175	3.170	2	120.5175	10.049	2	121.1440	2.033	8	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-3:N[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6]C[6])(N[6]C[6a]Ge[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)2{1|Ge<2>,1|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6]C[6,6]C[6])(N[6]C[6a]Ge[6])(C[6a]C[6a]2)(H){1|N<3>,2|C<4>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,3|H<1>}	120.4415	1.776	2	120.4415	3.153	2	120.4415	3.153	2	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[5,6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Br)(H)	C[6a](C[6]C[6,6a]C[5,6]H)(C[6a]C[6a]H)2{2|Br<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Br)(H){3|C<3>,3|H<1>}	119.9688	0.607	4	119.9688	0.368	4	120.6906	1.175	14	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[5,6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[5,6]H)(C[6a]C[6a]H)2{1|H<1>,1|N<3>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){3|C<3>,3|H<1>}	120.8500	0.000	1	121.1076	1.261	5	120.6906	1.175	14	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[5,6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[5,6]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	121.1720	1.286	4	121.1076	1.261	5	120.6906	1.175	14	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[5,6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]N)(H)	C[6a](C[6]C[6,6a]C[5,6]H)(C[6a]C[6a]H)2{1|H<1>,1|N<3>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]N)(H){3|C<3>,3|H<1>}	120.1660	0.000	1	120.1660	0.000	1	120.6906	1.175	14	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[5,6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[5,6]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|F<1>,2|H<1>,3|C<3>}	120.9530	1.888	2	121.0222	1.817	4	120.6906	1.175	14	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[5,6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[5,6]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|C<4>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	121.0915	1.367	2	121.0222	1.817	4	120.6906	1.175	14	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6,6]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[6])(H)	C[6a](C[6]C[6,6a]C[6,6]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|H<1>,1|O<2>,5|C<3>}	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,2|H<1>,3|N<3>,4|C<3>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[6])(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	121.0640	0.000	1	121.0640	0.000	1	121.0640	0.000	1	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6,6]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[5,6a]H)(H)	C[6a](C[6]C[6,6a]C[6,6]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|H<1>,1|O<2>,5|C<3>}	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,2|H<1>,3|N<3>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[5,6a]H)(H){1|O<2>,2|H<1>,3|C<3>}	119.5930	0.000	1	119.5930	0.000	1	120.7432	0.687	53	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){2|H<1>,5|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|H<1>,1|O<1>,2|C<4>,2|O<2>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|H<1>,3|C<3>}	120.4980	0.000	1	120.4980	0.000	1	120.7432	0.687	53	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]H)(C[6a]N[6a]H){1|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|O<1>,2|C<4>,2|N<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,3|H<1>}	122.8030	0.000	1	122.8030	0.000	1	120.7432	0.687	53	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]H)2{1|H<1>,1|O<2>,5|C<3>}	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,2|H<1>,3|N<3>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){3|C<3>,3|H<1>}	120.3080	0.000	1	120.6343	0.215	3	120.7432	0.687	53	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|C<4>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	120.7975	0.520	2	120.6343	0.215	3	120.7432	0.687	53	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H)	C[6a](C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]H)2{1|H<1>,1|O<2>,5|C<3>}	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,2|H<1>,3|N<3>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H){3|C<3>,3|H<1>}	120.1420	0.000	1	120.1420	0.000	1	120.7432	0.687	53	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|C<4>,1|N<2>,1|O<1>,2|N<3>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){3|C<3>,3|H<1>}	120.7145	0.274	2	120.8777	0.673	28	120.7432	0.687	53	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,2|O<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){3|C<3>,3|H<1>}	121.0945	0.037	2	120.8777	0.673	28	120.7432	0.687	53	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|N<2>,1|O<2>,2|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){3|C<3>,3|H<1>}	120.7110	0.962	2	120.8777	0.673	28	120.7432	0.687	53	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|N<2>,2|H<1>,2|N<3>,2|O<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|H<1>,3|C<3>}	121.2692	0.931	6	120.8777	0.673	28	120.7432	0.687	53	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	120.5935	0.820	2	120.8777	0.673	28	120.7432	0.687	53	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|H<1>,3|C<3>}	120.8107	1.386	4	120.8777	0.673	28	120.7432	0.687	53	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|H<1>,3|C<3>}	120.8860	0.465	2	120.8777	0.673	28	120.7432	0.687	53	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){3|C<3>,3|H<1>}	120.6970	0.481	2	120.8777	0.673	28	120.7432	0.687	53	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,2|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|H<1>,3|C<3>}	120.7695	1.232	2	120.8777	0.673	28	120.7432	0.687	53	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,2|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){3|C<3>,3|H<1>}	120.7615	1.698	2	120.8777	0.673	28	120.7432	0.687	53	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,2|H<1>,3|C<4>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){3|C<3>,3|H<1>}	120.6310	0.150	2	120.8777	0.673	28	120.7432	0.687	53	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|N<2>,1|O<1>,1|O<2>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){3|C<3>,3|H<1>}	120.5925	0.713	2	120.7664	0.448	14	120.7432	0.687	53	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|C<4>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,2|H<1>,3|C<3>}	121.3645	0.592	2	120.7664	0.448	14	120.7432	0.687	53	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,2|H<1>,3|C<3>}	120.5745	1.059	2	120.7664	0.448	14	120.7432	0.687	53	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|F<1>,2|H<1>,3|C<3>}	120.5910	0.536	4	120.7664	0.448	14	120.7432	0.687	53	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|H<1>,3|C<3>}	120.7640	0.754	2	120.7664	0.448	14	120.7432	0.687	53	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){3|C<3>,3|H<1>}	120.8870	1.187	2	120.7664	0.448	14	120.7432	0.687	53	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H)	C[6a](C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]H)2{2|O<2>,5|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|N<2>,1|O<1>,1|O<2>,2|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H){1|O<2>,2|H<1>,3|C<3>}	119.8280	0.273	2	119.7860	0.373	4	120.7432	0.687	53	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H)	C[6a](C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]H)2{2|O<2>,5|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H){1|O<2>,2|H<1>,3|C<3>}	119.7440	1.018	2	119.7860	0.373	4	120.7432	0.687	53	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]2H)(C[6a]C[5,6a]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])2(C[6a]C[6a]2)(H)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[6])(H)	C[6a](C[6]C[6,6a]2H)(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|H<1>,1|O<2>,5|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])2(C[6a]C[6a]2)(H){1|N<3>,2|H<1>,8|C<3>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[6])(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	118.2450	0.000	1	118.2450	0.000	1	118.2450	0.000	1	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]2H)(C[6a]C[5,6a]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[5,6a]H)(H)	C[6a](C[6]C[6,6a]2H)(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|H<1>,1|O<2>,5|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])2(C[6a]C[6a]2)(H){1|N<3>,2|H<1>,8|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[5,6a]H)(H){1|O<2>,2|H<1>,3|C<3>}	121.9720	0.000	1	121.9720	0.000	1	120.6783	1.408	48	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]2H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]2H)(C[6a]C[6a]C)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H){1|C<4>,1|P<4>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	118.2580	0.000	1	119.3770	0.892	4	120.6783	1.408	48	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]2H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]2H)(C[6a]C[6a]C)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H){2|C<4>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	119.7500	0.710	3	119.3770	0.892	4	120.6783	1.408	48	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]2H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H)	C[6a](C[6]C[6,6a]2H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|H<1>,1|O<2>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H){2|C<4>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	117.9620	0.000	1	117.9620	0.000	1	120.6783	1.408	48	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]2H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]2H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H){1|O<1>,2|H<1>,3|N<3>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,2|H<1>,3|C<3>}	120.7340	0.542	2	120.7340	0.293	2	120.6783	1.408	48	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]2H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H)	C[6a](C[6]C[6,6a]2H)(C[6a]C[6a]H)2{2|C<4>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H){1|C<4>,4|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H){3|C<3>,3|H<1>}	120.5871	1.242	8	120.6102	1.219	10	120.6783	1.408	48	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]2H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H)	C[6a](C[6]C[6,6a]2H)(C[6a]C[6a]H)2{2|C<4>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H){1|O<2>,4|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H){1|O<2>,2|H<1>,3|C<3>}	120.7025	0.384	2	120.6102	1.219	10	120.6783	1.408	48	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]2H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]2H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H){1|C<4>,4|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){3|C<3>,3|H<1>}	120.9130	0.574	2	120.8644	1.299	22	120.6783	1.408	48	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]2H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]2H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H){1|I<2>,4|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){3|C<3>,3|H<1>}	120.6390	0.437	2	120.8644	1.299	22	120.6783	1.408	48	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]2H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]2H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|H<1>,2|N<2>,2|O<2>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|F<1>,2|H<1>,3|C<3>}	120.7935	1.488	2	120.8644	1.299	22	120.6783	1.408	48	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]2H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]2H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H){1|N<3>,2|H<1>,2|O<2>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|F<1>,2|H<1>,3|C<3>}	120.8185	2.071	2	120.8644	1.299	22	120.6783	1.408	48	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]2H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]2H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H){1|N<3>,4|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|H<1>,3|C<3>}	121.1945	1.357	2	120.8644	1.299	22	120.6783	1.408	48	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]2H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]2H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H){1|N<3>,4|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){3|C<3>,3|H<1>}	120.7177	1.341	6	120.8644	1.299	22	120.6783	1.408	48	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]2H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]2H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H){1|P<4>,4|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|H<1>,3|C<3>}	121.4870	2.705	2	120.8644	1.299	22	120.6783	1.408	48	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]2H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]2H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H){1|P<4>,4|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){3|C<3>,3|H<1>}	120.5220	0.549	2	120.8644	1.299	22	120.6783	1.408	48	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]2H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]2H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H){2|H<1>,2|O<1>,3|O<2>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|H<1>,3|C<3>}	120.9875	0.549	2	120.8644	1.299	22	120.6783	1.408	48	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]2H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]2H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,2|H<1>,2|N<3>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,2|H<1>,3|C<3>}	121.0360	1.424	2	121.0360	2.028	2	120.6783	1.408	48	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]2H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6a,6a]C[6,6a])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]2H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])2(C[6a]C[6a]2)(H){1|O<2>,2|H<1>,8|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	121.4455	0.670	2	121.0762	1.013	6	120.6783	1.408	48	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]2H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6a,6a]C[6,6a])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]2H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])2(C[6a]C[6a]2)(H){1|O<2>,2|H<1>,8|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,2|H<1>,3|C<3>}	121.0270	1.312	2	121.0762	1.013	6	120.6783	1.408	48	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]2H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6a,6a]C[6,6a])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]2H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])2(C[6a]C[6a]2)(H){1|O<2>,2|H<1>,8|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|F<1>,2|H<1>,3|C<3>}	120.7560	1.553	2	121.0762	1.013	6	120.6783	1.408	48	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	C[6a](C[6]C[6,6a]2H)(C[6a]N[6a]N)(C[6a]N[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a]C)(O)	C[6a](C[6]C[6,6a]2H)(C[6a]N[6a]N)(C[6a]N[6a]O){2|C<4>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H){1|H<1>,1|O<2>,2|C<3>,2|O<1>,5|N<3>}	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a]C)(O){1|H<1>,1|O<1>,2|C<3>,2|N<3>}	117.6360	0.000	1	117.6360	0.000	1	117.6360	0.000	1	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|C<2>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C)(C[6a]C[6a]2)(H){1|O<1>,1|S<2>,2|H<1>,2|N<3>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|H<1>,3|C<3>}	120.8020	1.420	2	120.7837	0.680	4	120.7837	0.680	4	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C)(C[6a]C[6a]2)(H){1|O<1>,1|S<2>,2|H<1>,2|N<3>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,2|H<1>,3|C<3>}	120.7655	0.146	2	120.7837	0.680	4	120.7837	0.680	4	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[6])(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|C<2>,1|H<1>,1|O<2>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<1>,2|H<1>,2|O<2>,3|C<3>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[6])(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	119.1920	0.000	1	119.1920	0.000	1	119.1920	0.000	1	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6a,6a]-3:C[6a]-3:O-1:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a,6a]O)(C[6a]O[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]N)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])(O)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a,6a]O)(C[6a]O[6a]H){1|N<3>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]N)(H){1|H<1>,1|N<3>,2|C<3>,2|O<1>,3|O<2>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])(O){1|O<2>,3|H<1>,4|C<3>}	120.7963	0.107	3	120.7963	0.011	3	120.7963	0.011	3	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:Br-1:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Br)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]Br)(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)(H){1|Br<1>,1|H<1>,1|O<1>,2|O<2>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Br){3|C<3>,3|H<1>}	123.3560	0.000	1	123.3560	0.000	1	123.3560	0.000	1	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<2>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|Cl<1>,1|N<3>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl){3|C<3>,3|H<1>}	123.2570	0.000	1	123.2570	0.000	1	123.5594	1.866	5	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|Cl<1>,1|H<1>,1|N<3>,1|O<2>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl){1|Cl<1>,2|H<1>,3|C<3>}	125.0970	0.000	1	124.5470	0.605	2	123.5594	1.866	5	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|Cl<1>,1|H<1>,1|N<3>,1|O<2>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl){3|C<3>,3|H<1>}	123.9970	0.000	1	124.5470	0.605	2	123.5594	1.866	5	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]Cl)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]Cl)2{1|C<2>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){2|Cl<1>,1|H<1>,1|N<3>,1|O<2>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl){1|Cl<1>,2|H<1>,3|C<3>}	122.7230	1.848	2	122.7230	3.416	2	123.5594	1.866	5	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]F)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(F)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]F)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|F<1>,1|N<3>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(F){3|C<3>,3|H<1>}	123.2570	0.000	1	123.2570	0.000	1	122.5727	0.658	3	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]F)2	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(F)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]F)2{2|H<1>,5|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<2>,2|F<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(F){1|F<1>,2|H<1>,3|C<3>}	122.2305	0.783	2	122.2305	0.613	2	122.5727	0.658	3	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[5,6a]H)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|C<2>,1|H<1>,1|O<2>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<1>,2|H<1>,2|O<2>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[5,6a]H)(H){1|O<2>,2|H<1>,3|C<3>}	120.7700	0.000	1	120.7700	0.000	1	120.8121	0.957	174	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]Br)(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)(H){1|Br<1>,1|H<1>,1|O<1>,2|O<2>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,2|H<1>,3|C<3>}	119.5260	0.000	1	119.5260	0.000	1	120.8121	0.957	174	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]C)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	117.3580	0.000	1	117.3580	0.000	1	120.8121	0.957	174	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<2>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|Cl<1>,1|N<3>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,2|H<1>,3|C<3>}	120.0940	0.000	1	120.0940	0.000	1	120.8121	0.957	174	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|Cl<1>,1|H<1>,1|N<3>,1|O<2>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,2|H<1>,3|C<3>}	119.0090	0.000	1	118.7860	0.099	2	120.8121	0.957	174	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|Cl<1>,1|H<1>,1|N<3>,1|O<2>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|Cl<1>,1|H<1>,3|C<3>}	118.5630	0.000	1	118.7860	0.099	2	120.8121	0.957	174	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]F)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]F)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|F<1>,1|N<3>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|F<1>,2|H<1>,3|C<3>}	121.1350	0.000	1	121.1350	0.000	1	120.8121	0.957	174	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,2|H<1>,2|O<2>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|H<1>,3|C<3>}	120.3320	0.000	1	120.3320	0.000	1	120.8121	0.957	174	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]N)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<3>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]N)(H){1|N<3>,2|H<1>,2|O<2>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|H<1>,3|C<3>}	120.1830	0.000	1	120.1830	0.000	1	120.8121	0.957	174	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Br)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|Br<1>,1|C<2>,1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<1>,2|H<1>,2|O<2>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Br)(H){3|C<3>,3|H<1>}	120.9470	0.000	1	120.9470	0.000	1	120.8121	0.957	174	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|C<2>,2|C<4>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H){1|O<2>,2|H<1>,3|C<3>}	120.3630	0.987	2	120.5766	0.746	10	120.8121	0.957	174	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{2|C<4>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H){1|O<2>,2|H<1>,3|C<3>}	120.5090	1.878	2	120.5766	0.746	10	120.8121	0.957	174	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{2|C<4>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H){1|O<2>,2|H<1>,3|C<3>}	120.7115	1.165	2	120.5766	0.746	10	120.8121	0.957	174	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{2|C<4>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H){1|O<2>,2|H<1>,3|C<3>}	120.5875	0.824	2	120.5766	0.746	10	120.8121	0.957	174	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{2|C<4>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|O<2>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H){1|O<2>,2|H<1>,3|C<3>}	120.7120	0.041	2	120.5766	0.746	10	120.8121	0.957	174	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Cl)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|Cl<1>,1|C<2>,1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<1>,2|H<1>,2|O<2>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Cl)(H){1|Cl<1>,2|H<1>,3|C<3>}	121.2960	0.000	1	120.9167	0.210	3	120.8121	0.957	174	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Cl)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|Cl<1>,1|C<2>,1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Cl)(H){1|Cl<1>,2|H<1>,3|C<3>}	121.0470	0.000	1	120.9167	0.210	3	120.8121	0.957	174	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Cl)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|Cl<1>,1|C<2>,1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|O<1>,1|O<2>,2|H<1>,2|N<3>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Cl)(H){1|Cl<1>,2|H<1>,3|C<3>}	120.4070	0.000	1	120.9167	0.210	3	120.8121	0.957	174	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]F)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|F<1>,1|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]F)(H){3|C<3>,3|H<1>}	120.3965	1.076	2	120.3965	1.157	2	120.8121	0.957	174	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|Br<1>,1|C<2>,1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<1>,2|H<1>,2|O<2>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){3|C<3>,3|H<1>}	120.6280	0.000	1	120.9233	0.487	73	120.8121	0.957	174	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|C<2>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<2>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|F<1>,2|H<1>,3|C<3>}	121.0360	0.021	2	120.9233	0.487	73	120.8121	0.957	174	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|C<2>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<1>,2|H<1>,2|O<2>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|H<1>,3|C<3>}	121.0012	0.588	4	120.9233	0.487	73	120.8121	0.957	174	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|C<2>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,2|H<1>,3|C<3>}	121.0230	0.204	2	120.9233	0.487	73	120.8121	0.957	174	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|C<2>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,2|H<1>,3|C<3>}	121.0325	0.878	4	120.9233	0.487	73	120.8121	0.957	174	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|C<2>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|F<1>,2|H<1>,3|C<3>}	120.7225	0.754	2	120.9233	0.487	73	120.8121	0.957	174	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|C<2>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|H<1>,3|C<3>}	121.1372	0.544	6	120.9233	0.487	73	120.8121	0.957	174	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|C<2>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){3|C<3>,3|H<1>}	120.6010	1.066	2	120.9233	0.487	73	120.8121	0.957	174	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|Cl<1>,1|C<2>,1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<1>,2|H<1>,2|O<2>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,2|H<1>,3|C<3>}	118.9380	0.000	1	120.9233	0.487	73	120.8121	0.957	174	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|Cl<1>,1|C<2>,1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,2|H<1>,3|C<3>}	120.5370	0.000	1	120.9233	0.487	73	120.8121	0.957	174	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|Cl<1>,1|C<2>,1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|O<1>,1|O<2>,2|H<1>,2|N<3>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,2|H<1>,3|C<3>}	121.1840	0.000	1	120.9233	0.487	73	120.8121	0.957	174	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|F<1>,1|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){3|C<3>,3|H<1>}	120.8145	0.429	2	120.9233	0.487	73	120.8121	0.957	174	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|H<1>,1|N<3>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<2>,1|O<1>,2|H<1>,2|N<3>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){3|C<3>,3|H<1>}	120.5660	0.000	1	120.9233	0.487	73	120.8121	0.957	174	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|H<1>,1|N<3>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){3|C<3>,3|H<1>}	120.8320	0.000	1	120.9233	0.487	73	120.8121	0.957	174	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|H<1>,1|N<3>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|O<1>,1|S<2>,2|H<1>,2|N<3>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){3|C<3>,3|H<1>}	121.6820	0.000	1	120.9233	0.487	73	120.8121	0.957	174	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|I<1>,2|H<1>,3|C<3>}	121.2390	0.666	2	120.9233	0.487	73	120.8121	0.957	174	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>,2|N<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){3|C<3>,3|H<1>}	120.6570	0.409	2	120.9233	0.487	73	120.8121	0.957	174	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|H<1>,3|C<3>}	120.9269	0.934	12	120.9233	0.487	73	120.8121	0.957	174	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<1>,2|H<1>,2|O<2>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,2|H<1>,3|C<3>}	120.8775	0.224	2	120.9233	0.487	73	120.8121	0.957	174	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<1>,2|H<1>,2|O<2>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,2|H<1>,3|C<3>}	120.8365	1.614	2	120.9233	0.487	73	120.8121	0.957	174	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<1>,2|H<1>,2|O<2>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|H<1>,3|C<3>}	121.3700	1.256	2	120.9233	0.487	73	120.8121	0.957	174	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<1>,2|H<1>,2|O<2>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|S<2>,2|H<1>,3|C<3>}	121.0860	0.752	2	120.9233	0.487	73	120.8121	0.957	174	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,2|H<1>,3|C<3>}	120.8730	0.663	2	120.9233	0.487	73	120.8121	0.957	174	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|F<1>,2|H<1>,3|C<3>}	120.9412	0.608	4	120.9233	0.487	73	120.8121	0.957	174	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|H<1>,3|C<3>}	121.1870	0.914	2	120.9233	0.487	73	120.8121	0.957	174	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){3|C<3>,3|H<1>}	120.5480	0.461	2	120.9233	0.487	73	120.8121	0.957	174	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,4|C<3>}	120.9260	1.199	2	120.9233	0.487	73	120.8121	0.957	174	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|O<1>,1|S<2>,2|H<1>,2|N<3>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,2|H<1>,3|C<3>}	121.1035	1.085	2	120.9233	0.487	73	120.8121	0.957	174	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){2|H<1>,2|O<2>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){3|C<3>,3|H<1>}	120.5605	0.071	2	120.9233	0.487	73	120.8121	0.957	174	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){3|C<3>,3|H<1>}	121.1335	0.870	2	120.9233	0.487	73	120.8121	0.957	174	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]N)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|H<1>,1|N<3>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<2>,1|O<1>,2|H<1>,2|N<3>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]N)(H){3|C<3>,3|H<1>}	120.3740	0.000	1	120.1733	0.040	3	120.8121	0.957	174	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]N)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|H<1>,1|N<3>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]N)(H){3|C<3>,3|H<1>}	120.1730	0.000	1	120.1733	0.040	3	120.8121	0.957	174	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]N)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|H<1>,1|N<3>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|O<1>,1|S<2>,2|H<1>,2|N<3>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]N)(H){3|C<3>,3|H<1>}	119.9730	0.000	1	120.1733	0.040	3	120.8121	0.957	174	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)(H){1|N<3>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){3|C<3>,3|H<1>}	120.9080	0.000	1	121.0405	1.295	39	120.8121	0.957	174	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,2|H<1>,3|C<3>}	121.0801	1.124	8	121.0405	1.295	39	120.8121	0.957	174	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|I<1>,2|H<1>,3|C<3>}	121.3432	1.490	8	121.0405	1.295	39	120.8121	0.957	174	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,4|C<3>}	121.0801	1.543	8	121.0405	1.295	39	120.8121	0.957	174	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)(H){1|Cl<1>,1|O<2>,2|H<1>,2|N<2>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	121.1440	0.893	4	121.0405	1.295	39	120.8121	0.957	174	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)(H){1|N<3>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|H<1>,3|C<3>}	121.1755	0.023	2	121.0405	1.295	39	120.8121	0.957	174	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)(H){1|O<1>,2|H<1>,2|O<2>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){3|C<3>,3|H<1>}	120.6220	0.390	2	121.0405	1.295	39	120.8121	0.957	174	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)(H){1|O<2>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){3|C<3>,3|H<1>}	120.5263	1.001	4	121.0405	1.295	39	120.8121	0.957	174	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)(H){2|O<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){3|C<3>,3|H<1>}	120.6845	0.288	2	121.0405	1.295	39	120.8121	0.957	174	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]N)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)(H){1|N<3>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]N)(H){3|C<3>,3|H<1>}	120.4390	0.000	1	120.4390	0.000	1	120.8121	0.957	174	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]N)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]N)(H){1|N<3>,1|O<1>,2|H<1>,2|O<2>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	120.8555	1.552	2	121.1617	1.601	4	120.8121	0.957	174	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]N)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]N)(H){1|N<3>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|H<1>,3|C<3>}	121.4680	1.421	2	121.1617	1.601	4	120.8121	0.957	174	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|C<2>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<2>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	120.7555	2.609	2	120.8581	1.393	21	120.8121	0.957	174	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|C<2>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<2>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,2|H<1>,3|C<3>}	120.4065	2.064	2	120.8581	1.393	21	120.8121	0.957	174	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|C<2>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<2>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|F<1>,2|H<1>,3|C<3>}	120.8978	0.846	4	120.8581	1.393	21	120.8121	0.957	174	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|C<2>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<2>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|H<1>,3|C<3>}	120.7657	1.350	4	120.8581	1.393	21	120.8121	0.957	174	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|C<2>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<2>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){3|C<3>,3|H<1>}	120.4755	1.258	2	120.8581	1.393	21	120.8121	0.957	174	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|H<1>,1|N<3>,5|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<2>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){3|C<3>,3|H<1>}	120.7000	0.000	1	120.8581	1.393	21	120.8121	0.957	174	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<2>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	121.5175	1.617	2	120.8581	1.393	21	120.8121	0.957	174	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<2>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,2|H<1>,3|C<3>}	121.4555	1.554	2	120.8581	1.393	21	120.8121	0.957	174	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<2>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){3|C<3>,3|H<1>}	120.7230	0.406	2	120.8581	1.393	21	120.8121	0.957	174	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]N)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|H<1>,1|N<3>,5|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<2>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]N)(H){3|C<3>,3|H<1>}	121.0480	0.000	1	121.0480	0.000	1	120.8121	0.957	174	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|H<1>,6|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]H)(H){1|O<2>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]2)(H){3|H<1>,5|C<3>}	119.5435	1.405	2	119.5435	1.974	2	120.8121	0.957	174	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]H)(H){1|O<2>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|F<1>,2|H<1>,3|C<3>}	121.0410	1.901	2	120.4684	1.397	5	120.8121	0.957	174	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]H)(H){1|O<2>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){3|C<3>,3|H<1>}	120.0867	0.664	3	120.4684	1.397	5	120.8121	0.957	174	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl)	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]H)(H){1|Cl<1>,1|O<1>,2|H<1>,2|S<2>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl){1|N<3>,2|C<3>,3|H<1>}	121.7950	0.000	1	121.7950	0.000	1	121.7950	0.000	1	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[5,6a]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]S[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[5,6a]H)(H)	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[5,6a]O)(C[6a]C[6a]H){1|S<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]S[6]H)(H){1|N<3>,1|O<2>,2|H<1>,2|O<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[5,6a]H)(H){1|H<1>,1|N<2>,1|N<3>,1|O<2>,2|C<3>}	120.8960	0.000	1	120.8960	0.000	1	120.7183	4.119	121	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]S)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,1|S<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]S)(H){2|C<4>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	120.0000	0.000	1	120.0000	0.000	1	120.7183	4.119	121	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]H)(H){1|Cl<1>,1|O<1>,2|H<1>,2|S<2>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|N<3>,2|C<3>,2|H<1>}	121.3590	0.000	1	121.3590	0.000	1	120.7183	4.119	121	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Cl)(H)	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]N){1|Cl<1>,1|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]H)(H){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Cl)(H){2|C<3>,2|H<1>,2|N<3>}	118.3120	0.000	1	118.3120	0.000	1	120.7183	4.119	121	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){2|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]C)(H){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	121.0535	0.637	2	121.0535	0.406	2	120.7183	4.119	121	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]H)(H){1|H<1>,1|N<2>,1|O<1>,1|O<2>,1|S<2>,2|C<3>,2|N<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	119.0030	0.000	1	119.0030	0.000	1	120.7183	4.119	121	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(N[6]P[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|P<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(N[6]P[6]C)(H){1|C<4>,1|H<1>,1|O<1>,2|O<2>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	122.2790	0.000	1	122.2790	0.000	1	120.7183	4.119	121	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)(C[6a]N[6a]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(N[6]C[6]H)(H){1|N<2>,1|O<2>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,3|H<1>}	124.5150	0.000	1	124.5150	0.000	1	120.7183	4.119	121	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]C)(H){1|C<4>,1|N<2>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,3|H<1>}	121.0795	3.175	4	120.8048	4.698	22	120.7183	4.119	121	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]C)(H){1|C<4>,4|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|C<3>,2|H<1>,2|N<3>}	120.4285	2.976	2	120.8048	4.698	22	120.7183	4.119	121	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]C)(H){1|N<2>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,3|H<1>}	120.6925	0.025	2	120.8048	4.698	22	120.7183	4.119	121	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]C)(H){1|C<4>,4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,3|H<1>}	120.5267	1.884	6	120.8048	4.698	22	120.7183	4.119	121	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]C)(H){1|O<1>,2|S<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	121.5470	3.280	2	120.8048	4.698	22	120.7183	4.119	121	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]C)(H){2|C<4>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,3|H<1>}	121.0350	2.569	4	120.8048	4.698	22	120.7183	4.119	121	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]C)(H){3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,3|H<1>}	120.3760	2.916	2	120.8048	4.698	22	120.7183	4.119	121	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]H)(H){1|C<4>,4|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,3|H<1>}	120.8860	0.279	2	120.6521	2.739	22	120.7183	4.119	121	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]H)(H){1|C<4>,4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	120.7035	0.105	2	120.6521	2.739	22	120.7183	4.119	121	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]H)(H){1|C<4>,4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,3|H<1>}	120.7608	2.220	4	120.6521	2.739	22	120.7183	4.119	121	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]H)(H){1|C<4>,4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|C<3>,2|H<1>,2|N<3>}	120.4795	2.527	4	120.6521	2.739	22	120.7183	4.119	121	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]H)(H){2|C<4>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,3|H<1>}	120.6265	2.101	4	120.6521	2.739	22	120.7183	4.119	121	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]H)(H){1|C<4>,1|N<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,3|H<1>}	120.2735	2.320	2	120.6521	2.739	22	120.7183	4.119	121	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]H)(H){1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,3|H<1>}	120.3095	0.975	2	120.6521	2.739	22	120.7183	4.119	121	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]H)(H){1|O<1>,2|N<3>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	121.2670	1.532	2	120.6521	2.739	22	120.7183	4.119	121	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]N)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]N)(H){1|C<4>,1|N<2>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,3|H<1>}	120.5135	3.372	2	120.5285	7.899	4	120.7183	4.119	121	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]N)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]N)(H){1|O<2>,4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,3|H<1>}	120.5435	3.511	2	120.5285	7.899	4	120.7183	4.119	121	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]S)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H)	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2{1|S<4>,2|C<4>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]S)(H){1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	120.4000	1.370	2	120.4000	1.878	2	120.7183	4.119	121	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]S)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]F)(H)	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2{1|F<1>,1|H<1>,1|S<3>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]S)(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]F)(H){1|N<3>,2|C<3>,3|H<1>}	117.4200	0.000	1	117.4200	0.000	1	120.7183	4.119	121	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]S)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|S<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]S)(H){1|C<4>,4|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|N<3>,2|C<3>,2|H<1>}	121.1145	3.852	2	121.1424	4.731	19	120.7183	4.119	121	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]S)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|S<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]S)(H){1|C<4>,4|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,3|H<1>}	120.5955	2.712	2	121.1424	4.731	19	120.7183	4.119	121	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]S)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2{1|F<1>,1|H<1>,1|S<3>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]S)(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,3|H<1>}	123.6430	0.000	1	121.1424	4.731	19	120.7183	4.119	121	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]S)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2{1|S<3>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]S)(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|H<1>,3|C<3>}	121.3845	2.458	8	121.1424	4.731	19	120.7183	4.119	121	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]S)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2{1|S<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]S)(H){1|N<3>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,3|H<1>}	120.6730	2.819	2	121.1424	4.731	19	120.7183	4.119	121	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]S)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2{1|S<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]S)(H){1|S<2>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,3|H<1>}	120.5550	1.094	4	121.1424	4.731	19	120.7183	4.119	121	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]S[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2{1|S<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]S[6]H)(H){1|O<2>,2|O<1>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,3|H<1>}	120.2625	1.399	2	120.2625	1.958	2	120.7183	4.119	121	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(N[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(N[6]C[6]C)(H){1|C<4>,1|O<2>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,3|H<1>}	121.1480	1.563	2	121.1055	4.791	6	120.7183	4.119	121	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(N[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(N[6]C[6]C)(H){1|O<2>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,3|H<1>}	121.0842	2.678	4	121.1055	4.791	6	120.7183	4.119	121	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(N[6]C[6]H)(H){1|O<2>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,3|H<1>}	122.6600	0.000	1	120.4776	6.385	16	120.7183	4.119	121	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(N[6]C[6]H)(H){1|C<4>,1|O<2>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,3|H<1>}	120.9310	2.575	2	120.4776	6.385	16	120.7183	4.119	121	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(N[6]C[6]H)(H){1|O<2>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,3|H<1>}	119.6732	3.235	8	120.4776	6.385	16	120.7183	4.119	121	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(N[6]C[6]H)(H){1|O<2>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,3|H<1>}	122.6650	0.000	1	120.4776	6.385	16	120.7183	4.119	121	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(N[6]C[6]H)(H){1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|F<1>,1|N<3>,2|C<3>,2|H<1>}	120.4810	0.115	2	120.4776	6.385	16	120.7183	4.119	121	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(N[6]C[6]H)(H){1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,3|H<1>}	121.0530	0.267	2	120.4776	6.385	16	120.7183	4.119	121	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]N)(H)	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(N[6]C[6]H)(H){1|O<2>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]N)(H){1|N<3>,2|C<3>,3|H<1>}	119.1830	0.000	1	119.1830	0.000	1	120.7183	4.119	121	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H)	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(N[6]C[6]H)(H){1|O<2>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H){1|N<3>,2|C<3>,3|H<1>}	117.8040	0.000	1	117.8040	0.000	1	120.7183	4.119	121	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(N[6]P[6,6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2{1|P<5>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(N[6]P[6,6]H)(H){1|N<3>,2|O<2>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,3|H<1>}	120.6580	2.697	4	120.6580	7.274	4	120.7183	4.119	121	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(N[6]P[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|P<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(N[6]P[6]C)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|N<3>,2|C<3>,2|H<1>}	120.7705	0.941	2	120.8276	2.593	12	120.7183	4.119	121	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(N[6]P[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|P<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(N[6]P[6]C)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	120.8353	1.896	4	120.8276	2.593	12	120.7183	4.119	121	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(N[6]P[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|P<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(N[6]P[6]C)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,3|H<1>}	120.9230	1.862	4	120.8276	2.593	12	120.7183	4.119	121	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(N[6]P[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|P<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(N[6]P[6]C)(H){1|O<1>,2|H<1>,2|O<2>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,3|H<1>}	120.6785	2.524	2	120.8276	2.593	12	120.7183	4.119	121	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:N[5,6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]N[5,6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H)	C[6a](C[6]C[6,6a]N[5,6]H)(C[6a]C[6a]H)2{1|C<4>,2|O<2>,4|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H){1|O<1>,2|C<4>,4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	119.9165	2.647	2	119.9165	7.005	2	119.8247	6.839	4	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:N[5,6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]N[5,6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H)	C[6a](C[6]C[6,6a]N[5,6]H)(C[6a]C[6a]H)2{1|C<4>,2|O<2>,4|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H){1|O<1>,2|C<4>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	119.7330	3.671	2	119.7330	13.478	2	119.8247	6.839	4	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:N[6,6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]N[6,6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]N[6,6]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|C<4>,1|N<2>,5|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|N<3>,2|C<3>,2|H<1>}	120.5705	0.631	2	120.8394	0.954	8	120.8686	3.528	22	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:N[6,6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]N[6,6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]N[6,6]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|C<4>,1|N<2>,5|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	121.0215	0.555	2	120.8394	0.954	8	120.8686	3.528	22	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:N[6,6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]N[6,6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]N[6,6]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|O<1>,2|C<4>,4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|C<3>,2|H<1>,2|N<3>}	120.8155	2.381	2	120.8394	0.954	8	120.8686	3.528	22	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:N[6,6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]N[6,6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]N[6,6]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|N<2>,1|O<1>,2|N<3>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,3|H<1>}	120.9500	0.262	2	120.8394	0.954	8	120.8686	3.528	22	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:N[6,6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]N[6,6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]N[6,6]H)(C[6a]C[6a]H)2{1|H<1>,1|N<3>,2|C<4>,3|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|O<2>,2|C<4>,5|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,3|H<1>}	123.3660	0.000	1	121.1265	4.734	13	120.8686	3.528	22	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:N[6,6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]N[6,6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]N[6,6]H)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|C<4>,1|O<2>,5|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	121.3010	3.033	2	121.1265	4.734	13	120.8686	3.528	22	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:N[6,6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]N[6,6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]N[6,6]H)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|C<4>,1|O<2>,5|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,3|H<1>}	120.6100	2.099	2	121.1265	4.734	13	120.8686	3.528	22	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:N[6,6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]N[6,6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]N[6,6]H)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|O<2>,2|C<4>,5|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,3|H<1>}	120.8230	2.261	4	121.1265	4.734	13	120.8686	3.528	22	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:N[6,6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]N[6,6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]N[6,6]H)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|O<2>,3|C<4>,4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,3|H<1>}	121.0412	2.699	4	121.1265	4.734	13	120.8686	3.528	22	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:N[6,6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]N[6,6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]N)(H)	C[6a](C[6]C[6,6a]N[6,6]H)(C[6a]C[6a]H)2{1|H<1>,1|N<3>,2|C<4>,3|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|O<2>,2|C<4>,5|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]N)(H){1|N<3>,2|C<3>,3|H<1>}	117.7500	0.000	1	117.7500	0.000	1	120.8686	3.528	22	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]F)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]F)(F)	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]F)(C[6a]C[6a]H){1|C<4>,1|F<1>,1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[6a]C[6a]2)(H){1|C<4>,1|F<1>,4|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]F)(F){1|N<3>,2|C<3>,3|H<1>}	120.2616	0.385	7	120.2616	0.148	7	121.6836	3.294	22	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]F)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(F)	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]F)(C[6a]C[6a]H){1|C<4>,1|F<1>,1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[6a]C[6a]2)(H){1|C<4>,1|F<1>,4|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(F){1|N<3>,2|C<3>,3|H<1>}	121.6126	0.587	5	121.4063	0.410	7	121.6836	3.294	22	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]F)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(F)	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]F)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[6a]C[6a]2)(H){1|C<4>,1|F<1>,4|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(F){1|F<1>,1|N<3>,2|C<3>,2|H<1>}	120.8905	0.582	2	121.4063	0.410	7	121.6836	3.294	22	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]F)2	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(F)	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]F)2{1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[6a]C[6a]2)(H){1|C<4>,2|F<1>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(F){1|F<1>,1|N<3>,2|C<3>,2|H<1>}	123.1706	2.185	8	123.1706	4.776	8	121.6836	3.294	22	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]F)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]F)(H)	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]F)(C[6a]C[6a]H){1|C<4>,1|F<1>,1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[6a]C[6a]2)(H){1|C<4>,1|F<1>,4|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]F)(H){1|F<1>,1|N<3>,2|C<3>,2|H<1>}	121.6626	0.593	5	121.6626	0.351	5	121.3669	2.261	44	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]F)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]F)(C[6a]C[6a]H){1|C<4>,1|F<1>,1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[6a]C[6a]2)(H){1|C<4>,1|F<1>,4|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|F<1>,1|N<3>,2|C<3>,2|H<1>}	122.8611	0.375	7	122.8459	0.134	9	121.3669	2.261	44	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]F)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]F)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[6a]C[6a]2)(H){1|C<4>,1|F<1>,4|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|F<1>}	122.7925	0.465	2	122.8459	0.134	9	121.3669	2.261	44	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5a,6]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5a,6]C[6a])(C[6a]C[6a]2)(H){1|N<3>,1|O<2>,2|H<1>,7|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	121.5640	2.769	2	121.4105	3.016	4	121.3669	2.261	44	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5a,6]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5a,6]C[6a])(C[6a]C[6a]2)(H){1|N<3>,3|H<1>,7|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|N<3>,2|C<3>,2|H<1>}	121.2570	1.134	2	121.4105	3.016	4	121.3669	2.261	44	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C[6a])(C[6a]C[6a]2)(H){3|H<1>,8|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	121.1400	3.507	2	121.1400	12.301	2	121.3669	2.261	44	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){1|C<4>,1|N<2>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,3|H<1>}	121.3380	2.025	2	121.1615	2.152	4	121.3669	2.261	44	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){1|N<2>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|N<3>,2|C<3>,2|H<1>}	120.9850	1.493	2	121.1615	2.152	4	121.3669	2.261	44	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]F)(H)	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|F<1>,1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[6a]C[6a]2)(H){1|C<4>,5|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]F)(H){1|F<1>,1|N<3>,2|C<3>,2|H<1>}	118.8495	0.060	2	119.8096	0.685	7	121.3669	2.261	44	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]F)(H)	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|F<1>,1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[6a]C[6a]2)(H){1|C<4>,5|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]F)(H){1|N<3>,2|C<3>,3|H<1>}	120.0020	0.000	1	119.8096	0.685	7	121.3669	2.261	44	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]F)(H)	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2{1|C<4>,2|F<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[6a]C[6a]2)(H){1|C<4>,5|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]F)(H){1|N<3>,2|C<3>,3|H<1>}	120.2415	0.702	4	119.8096	0.685	7	121.3669	2.261	44	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|F<1>,1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[6a]C[6a]2)(H){1|C<4>,5|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|F<1>,1|N<3>,2|C<3>,2|H<1>}	122.5355	0.071	2	121.1525	2.072	13	121.3669	2.261	44	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|F<1>,1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[6a]C[6a]2)(H){1|C<4>,5|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,3|H<1>}	121.2170	0.000	1	121.1525	2.072	13	121.3669	2.261	44	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[6a]C[6a]2)(H){1|C<4>,5|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|F<1>,1|N<3>,2|C<3>,2|H<1>}	120.8275	2.599	2	121.1525	2.072	13	121.3669	2.261	44	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[6a]C[6a]2)(H){1|C<4>,5|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,3|H<1>}	120.9638	1.628	6	121.1525	2.072	13	121.3669	2.261	44	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[6a]C[6a]2)(H){1|N<2>,1|O<1>,2|N<3>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	120.6280	0.222	2	121.1525	2.072	13	121.3669	2.261	44	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a,6a]O)(C[6a]N[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a,6a]H)(O)	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a,6a]O)(C[6a]N[6a]O){1|C<4>,1|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a,6a]H)(O){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	119.2490	0.000	1	119.2490	0.000	1	119.2490	0.000	1	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-3:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[4,6]C[6a])(C[6a]C[6a]2)(N[6]C[6]S)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|S<4>,2|H<1>,3|C<3>}	C[6](C[6]C[4,6]C[6a])(C[6a]C[6a]2)(N[6]C[6]S)(H){1|C<4>,4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,3|H<1>}	120.6000	3.825	2	120.6000	14.634	2	120.8372	2.359	10	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-3:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6,6a]C[5])(C[6a]C[6a]2)(N[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]C[5])(C[6a]C[6a]2)(N[6]C[6]C)(H){1|C<4>,4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	121.5810	1.978	2	121.5810	3.914	2	120.8372	2.359	10	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-3:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(N[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(N[6]C[6]C)(H){3|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,3|H<1>}	120.7207	0.446	4	120.7207	0.199	4	120.8372	2.359	10	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-3:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6a]N[6])(C[6a]C[6a]2)(N[6]C[6]S)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|N<2>,1|S<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]N[6])(C[6a]C[6a]2)(N[6]C[6]S)(H){3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,3|H<1>}	120.5635	0.817	2	120.5635	0.667	2	120.8372	2.359	10	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-3:N[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6](C[6]C[6a]N[6])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<2>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]N[6])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){1|H<1>,1|O<2>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	124.4025	0.237	2	124.4025	0.056	2	122.4380	5.385	4	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-3:N[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6a]N[6])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|N<2>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]N[6])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,3|H<1>}	120.4735	0.814	2	120.4735	0.662	2	122.4380	5.385	4	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]C)(H){1|Cl<1>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|N<3>,2|C<3>,2|H<1>}	123.7920	0.000	1	123.7920	0.000	1	122.3785	2.161	10	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H){1|Cl<1>,1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|N<3>,2|C<3>,2|H<1>}	121.7670	0.000	1	122.2060	2.459	8	122.3785	2.161	10	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H){1|Cl<1>,1|C<4>,1|H<1>,1|N<2>,1|S<1>,2|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|N<3>,2|C<3>,2|H<1>}	122.1540	0.000	1	122.2060	2.459	8	122.3785	2.161	10	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H){1|Cl<1>,1|C<4>,1|H<1>,1|N<3>,1|S<1>,2|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|N<3>,2|C<3>,2|H<1>}	120.9350	0.000	1	122.2060	2.459	8	122.3785	2.161	10	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H){1|Cl<1>,1|C<4>,1|H<1>,1|N<3>,1|S<1>,2|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl){1|N<3>,2|C<3>,3|H<1>}	123.7773	1.324	3	122.2060	2.459	8	122.3785	2.161	10	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H){1|Cl<1>,1|H<1>,1|N<2>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|N<3>,2|C<3>,2|H<1>}	120.7300	0.366	2	122.2060	2.459	8	122.3785	2.161	10	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]S)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]S)(H){1|Cl<1>,1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl){1|N<3>,2|C<3>,3|H<1>}	122.3450	0.000	1	122.3450	0.000	1	122.3785	2.161	10	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]F)(C[6a]C[6a]H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(F)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]F)(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H){1|C<4>,1|F<1>,1|H<1>,1|N<3>,1|S<1>,2|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(F){1|N<3>,2|C<3>,3|H<1>}	122.8480	0.411	3	122.8480	0.169	3	122.8480	0.169	3	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]B)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]2)(C[6a]C[6a]H){1|B<3>,3|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]B)(H){3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|H<1>,3|C<3>}	122.1930	0.000	1	122.1930	0.000	1	120.8285	2.316	251	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]C)(H){1|Cl<1>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|Cl<1>,1|H<1>,1|N<3>,2|C<3>}	119.2010	0.000	1	119.2010	0.000	1	120.8285	2.316	251	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H){1|Cl<1>,1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|Cl<1>,1|H<1>,1|N<3>,2|C<3>}	121.7980	0.000	1	120.8817	2.211	8	120.8285	2.316	251	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H){1|Cl<1>,1|C<4>,1|H<1>,1|N<2>,1|S<1>,2|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|Cl<1>,1|H<1>,1|N<3>,2|C<3>}	121.4710	0.000	1	120.8817	2.211	8	120.8285	2.316	251	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H){1|Cl<1>,1|C<4>,1|H<1>,1|N<3>,1|S<1>,2|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|N<3>,2|C<3>,2|H<1>}	119.2410	1.004	3	120.8817	2.211	8	120.8285	2.316	251	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H){1|Cl<1>,1|C<4>,1|H<1>,1|N<3>,1|S<1>,2|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|Cl<1>,1|H<1>,1|N<3>,2|C<3>}	122.0690	0.000	1	120.8817	2.211	8	120.8285	2.316	251	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H){1|Cl<1>,1|H<1>,1|N<2>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|Cl<1>,1|H<1>,1|N<3>,2|C<3>}	121.9965	0.548	2	120.8817	2.211	8	120.8285	2.316	251	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]S)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]S)(H){1|Cl<1>,1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|N<3>,2|C<3>,2|H<1>}	121.1500	0.000	1	121.1500	0.000	1	120.8285	2.316	251	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]F)(C[6a]C[6a]H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]F)(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H){1|C<4>,1|F<1>,1|H<1>,1|N<3>,1|S<1>,2|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|F<1>,1|N<3>,2|C<3>,2|H<1>}	120.9053	0.351	3	120.9053	0.123	3	120.8285	2.316	251	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]C)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	114.8830	0.000	1	114.8830	0.000	1	120.8285	2.316	251	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<2>,2|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|O<2>}	121.0760	0.000	1	121.8578	2.189	6	120.8285	2.316	251	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<2>,2|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,1|S<1>,2|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|O<2>}	121.5270	0.000	1	121.8578	2.189	6	120.8285	2.316	251	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){3|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	123.0010	0.636	2	121.8578	2.189	6	120.8285	2.316	251	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){3|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,1|S<1>,2|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	119.4660	0.000	1	121.8578	2.189	6	120.8285	2.316	251	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){3|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H){1|H<1>,1|N<2>,1|O<2>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	123.0760	0.000	1	121.8578	2.189	6	120.8285	2.316	251	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<2>,2|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	122.8840	0.000	1	122.8840	0.000	1	120.8285	2.316	251	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]S)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]S){3|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]C)(H){1|S<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,1|S<2>,2|C<3>,2|H<1>}	122.8490	0.000	1	122.8490	0.000	1	120.8285	2.316	251	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]C)(H){1|C<4>,1|N<2>,1|S<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|N<3>,2|C<3>,2|H<1>}	121.0320	0.464	2	120.9773	3.063	27	120.8285	2.316	251	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]C)(H){1|C<4>,1|N<2>,1|S<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,3|H<1>}	120.8945	0.487	2	120.9773	3.063	27	120.8285	2.316	251	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]C)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,3|H<1>}	120.8889	2.312	14	120.9773	3.063	27	120.8285	2.316	251	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]C)(H){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|F<1>,1|N<3>,2|C<3>,2|H<1>}	120.7250	0.467	2	120.9773	3.063	27	120.8285	2.316	251	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|H<1>,1|O<2>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]C)(H){1|C<4>,1|N<3>,1|S<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,3|H<1>}	121.7260	0.000	1	120.9773	3.063	27	120.8285	2.316	251	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]C)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|N<3>,2|C<3>,2|H<1>}	120.9705	2.054	2	120.9773	3.063	27	120.8285	2.316	251	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]C)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	121.4810	0.484	2	120.9773	3.063	27	120.8285	2.316	251	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]C)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,3|H<1>}	121.0055	1.925	2	120.9773	3.063	27	120.8285	2.316	251	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|H<1>,1|O<2>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]C)(H){1|C<4>,1|N<3>,1|S<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H){1|N<3>,2|C<3>,3|H<1>}	118.7450	0.000	1	118.7450	0.000	1	120.8285	2.316	251	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Br)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|Br<1>,2|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Br)(H){1|N<3>,2|C<3>,3|H<1>}	118.0670	0.000	1	118.0670	0.000	1	120.8285	2.316	251	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|H<1>,2|C<4>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H){1|N<3>,2|C<3>,3|H<1>}	120.3565	0.091	2	120.3565	0.008	2	120.8285	2.316	251	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Cl)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|Cl<1>,2|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H){1|C<4>,1|N<3>,1|S<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Cl)(H){1|N<3>,2|C<3>,3|H<1>}	118.3180	0.000	1	118.3180	0.000	1	120.8285	2.316	251	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]F)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|F<1>,2|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H){1|C<4>,1|N<3>,1|S<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]F)(H){1|Cl<1>,1|N<3>,2|C<3>,2|H<1>}	119.0920	0.000	1	119.0920	0.000	1	120.8285	2.316	251	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|Br<1>,2|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,3|H<1>}	123.2770	0.000	1	121.0614	1.592	126	120.8285	2.316	251	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H){1|C<4>,1|N<3>,1|S<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	121.2050	0.980	2	121.0614	1.592	126	120.8285	2.316	251	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	121.3325	3.466	2	121.0614	1.592	126	120.8285	2.316	251	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|F<1>,1|N<3>,2|C<3>,2|H<1>}	121.2927	1.464	4	121.0614	1.592	126	120.8285	2.316	251	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|Cl<1>,2|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H){1|C<4>,1|N<3>,1|S<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,3|H<1>}	123.1340	0.000	1	121.0614	1.592	126	120.8285	2.316	251	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|F<1>,2|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H){1|C<4>,1|N<3>,1|S<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|N<3>,2|C<3>,2|H<1>}	122.1870	0.000	1	121.0614	1.592	126	120.8285	2.316	251	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,3|H<1>}	119.8520	0.000	1	121.0614	1.592	126	120.8285	2.316	251	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H){1|C<4>,1|N<3>,1|S<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,3|H<1>}	123.4050	0.000	1	121.0614	1.592	126	120.8285	2.316	251	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,3|H<1>}	122.8850	0.000	1	121.0614	1.592	126	120.8285	2.316	251	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|O<2>,2|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	121.3590	0.000	1	121.0614	1.592	126	120.8285	2.316	251	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|O<2>,2|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,3|H<1>}	121.7035	1.068	2	121.0614	1.592	126	120.8285	2.316	251	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|O<2>,2|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H){1|C<4>,1|N<3>,1|S<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	121.4400	1.841	2	121.0614	1.592	126	120.8285	2.316	251	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|O<2>,2|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H){1|C<4>,1|N<3>,1|S<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,3|H<1>}	122.5850	0.000	1	121.0614	1.592	126	120.8285	2.316	251	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<2>,1|N<3>,2|C<3>,2|H<1>}	120.9795	0.697	2	121.0614	1.592	126	120.8285	2.316	251	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	121.3525	1.096	4	121.0614	1.592	126	120.8285	2.316	251	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|N<3>,2|C<3>,2|H<1>}	120.9948	0.828	4	121.0614	1.592	126	120.8285	2.316	251	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|F<1>,1|N<3>,2|C<3>,2|H<1>}	120.5913	0.623	4	121.0614	1.592	126	120.8285	2.316	251	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	121.0933	1.219	18	121.0614	1.592	126	120.8285	2.316	251	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,3|H<1>}	120.9595	1.238	10	121.0614	1.592	126	120.8285	2.316	251	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|H<1>,3|C<3>}	120.9387	0.746	4	121.0614	1.592	126	120.8285	2.316	251	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H){1|C<4>,1|N<3>,1|S<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	120.7958	1.628	6	121.0614	1.592	126	120.8285	2.316	251	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H){1|C<4>,1|N<3>,1|S<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|N<3>,2|C<3>,2|H<1>}	120.9913	1.529	6	121.0614	1.592	126	120.8285	2.316	251	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H){1|C<4>,1|N<3>,1|S<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|F<1>,1|N<3>,2|C<3>,2|H<1>}	120.7223	1.544	4	121.0614	1.592	126	120.8285	2.316	251	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H){1|C<4>,1|N<3>,1|S<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	121.0033	0.917	12	121.0614	1.592	126	120.8285	2.316	251	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H){1|C<4>,1|N<3>,1|S<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,3|H<1>}	120.6859	1.245	8	121.0614	1.592	126	120.8285	2.316	251	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H){1|C<4>,1|N<3>,1|S<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|C<3>,2|H<1>,2|N<3>}	121.0863	2.119	4	121.0614	1.592	126	120.8285	2.316	251	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H){1|C<4>,2|C<3>,2|H<1>,2|N<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|N<3>,2|C<3>,2|H<1>}	120.7255	1.494	6	121.0614	1.592	126	120.8285	2.316	251	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|F<1>,1|N<3>,2|C<3>,2|H<1>}	120.8225	0.579	2	121.0614	1.592	126	120.8285	2.316	251	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	121.1795	2.900	2	121.0614	1.592	126	120.8285	2.316	251	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,3|H<1>}	120.7576	0.987	8	121.0614	1.592	126	120.8285	2.316	251	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H){1|N<3>,1|S<1>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|N<3>,2|C<3>,2|H<1>}	120.9360	2.213	2	121.0614	1.592	126	120.8285	2.316	251	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]N)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]N)(H){1|N<3>,2|C<3>,3|H<1>}	121.7440	0.000	1	119.4513	4.260	3	120.8285	2.316	251	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]N)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H){1|C<4>,1|N<3>,1|S<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]N)(H){1|N<3>,2|C<3>,3|H<1>}	117.7410	0.000	1	119.4513	4.260	3	120.8285	2.316	251	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]N)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]N)(H){1|N<3>,2|C<3>,3|H<1>}	118.8690	0.000	1	119.4513	4.260	3	120.8285	2.316	251	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|H<1>,2|O<2>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	120.0130	0.408	4	119.5290	0.792	10	120.8285	2.316	251	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|O<2>,2|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	119.5540	0.000	1	119.5290	0.792	10	120.8285	2.316	251	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|O<2>,2|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H){1|N<3>,2|C<3>,3|H<1>}	119.1360	0.909	2	119.5290	0.792	10	120.8285	2.316	251	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|O<2>,2|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H){1|C<4>,1|N<3>,1|S<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	119.7060	1.468	2	119.5290	0.792	10	120.8285	2.316	251	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|O<2>,2|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H){1|C<4>,1|N<3>,1|S<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H){1|N<3>,2|C<3>,3|H<1>}	118.0000	0.000	1	119.5290	0.792	10	120.8285	2.316	251	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]S)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|S<3>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]S)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,3|H<1>}	120.5900	2.789	2	120.5999	4.115	14	120.8285	2.316	251	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]S)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|S<4>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]S)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,3|H<1>}	120.6016	2.039	12	120.5999	4.115	14	120.8285	2.316	251	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]N[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]N[6]C)(H){1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,3|H<1>}	120.8440	0.868	2	120.8440	0.754	2	120.8285	2.316	251	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]C)(H){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,3|H<1>}	121.0880	2.222	2	121.0880	4.936	2	120.8285	2.316	251	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{3|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]H)(H){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|F<1>,1|N<3>,2|C<3>,2|H<1>}	120.2295	3.335	2	120.9322	2.927	8	120.8285	2.316	251	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{3|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]H)(H){1|N<3>,1|S<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,3|H<1>}	121.1665	1.269	6	120.9322	2.927	8	120.8285	2.316	251	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]S)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|S<4>,3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]S)(H){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,3|H<1>}	120.6685	4.287	2	120.6685	18.380	2	120.8285	2.316	251	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]O)(N[6]C[6]S)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|O<1>,1|S<4>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]O)(N[6]C[6]S)(H){1|O<2>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,3|H<1>}	120.2175	2.593	2	120.3295	6.055	4	120.8285	2.316	251	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]O)(N[6]C[6]S)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|O<1>,1|S<4>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]O)(N[6]C[6]S)(H){3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,3|H<1>}	120.4415	3.375	2	120.3295	6.055	4	120.8285	2.316	251	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]N[6]C)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|N<2>,3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]N[6]C)(N[6]C[6]H)(H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	120.9670	0.723	2	120.9670	0.522	2	120.8285	2.316	251	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]N[6]N)(N[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<3>,1|N<2>,1|N<3>,2|C<4>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]N[6]N)(N[6]C[6]C)(H){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,3|H<1>}	120.5235	1.392	2	120.5235	1.938	2	120.8285	2.316	251	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]N[6]O)(N[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|H<1>,1|O<1>,2|C<3>,2|N<3>}	C[6](C[6a]C[6a]2)(C[6]N[6]O)(N[6]C[6]C)(H){1|N<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,3|H<1>}	120.8487	0.742	4	121.0030	2.220	6	120.8285	2.316	251	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]N[6]O)(N[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]N[6]O)(N[6]C[6]C)(H){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	121.3115	3.027	2	121.0030	2.220	6	120.8285	2.316	251	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]N[6]O)(N[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]N)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|H<1>,1|O<1>,2|C<3>,2|N<3>}	C[6](C[6a]C[6a]2)(C[6]N[6]O)(N[6]C[6]C)(H){1|N<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]N)(H){1|N<3>,2|C<3>,3|H<1>}	119.7237	0.696	4	119.7237	0.484	4	120.8285	2.316	251	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]N[6]O)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|N<2>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]N[6]O)(N[6]C[6]H)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,3|H<1>}	120.4638	1.632	4	120.5605	1.659	6	120.8285	2.316	251	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]N[6]O)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]N[6]O)(N[6]C[6]H)(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,3|H<1>}	120.7540	0.433	2	120.5605	1.659	6	120.8285	2.316	251	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]O[6]O)(N[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]O[6]O)(N[6]C[6]C)(H){2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	120.4930	1.458	2	120.3830	1.154	4	120.8285	2.316	251	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]O[6]O)(N[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]O[6]O)(N[6]C[6]C)(H){2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,3|H<1>}	120.2730	1.134	2	120.3830	1.154	4	120.8285	2.316	251	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:N[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(N[6]C[6,6]C)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6,6]C)(C[6]C[6]C)(H){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,3|H<1>}	121.0040	2.506	2	121.0040	6.280	2	121.0040	6.280	2	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[3,6]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]N[3,6]C[6]H)(C[6a]C[6a]H)2	C[6](N[3,6]C[3,6]C[3])(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]N[3,6]C[6]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	C[6](N[3,6]C[3,6]C[3])(C[6a]C[6a]2)(C[6]C[6]H)(H){1|C<4>,3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,3|H<1>}	119.9645	3.709	2	119.9645	13.755	2	119.9645	13.755	2	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[5,6]-3:C[6,6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]N[5,6]H)(C[6a]C[6a]H)2	C[6](N[5,6]C[5,6a]C[5,6])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]N[5,6]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6](N[5,6]C[5,6a]C[5,6])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>,2|N<2>,2|N<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,3|H<1>}	120.2005	0.227	2	120.2005	0.052	2	120.0602	0.053	4	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[5,6]-3:C[6,6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]N[5,6]H)(C[6a]C[6a]H)2	C[6](N[5,6]N[5,6a]C[5,6])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]N[5,6]H)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[6](N[5,6]N[5,6a]C[5,6])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|N<2>,1|N<3>,1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,3|H<1>}	119.9200	0.168	2	119.9200	0.028	2	120.0602	0.053	4	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[5,6]-3:C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]N[5,6]H)(C[6a]C[6a]H)2	C[6](N[5,6]Si[5,6,6]C[5,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]N[5,6]H)(C[6a]C[6a]H)2{1|Si<5>,2|H<1>,4|C<3>}	C[6](N[5,6]Si[5,6,6]C[5,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H){1|N<3>,2|O<2>,3|H<1>,7|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,3|H<1>}	120.5673	1.149	4	120.5673	1.321	4	120.5673	1.321	4	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[5,6]-3:C[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]H)2	C[6](N[5,6]C[5,6]N[5])(C[6]C[6,6a]C)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[6](N[5,6]C[5,6]N[5])(C[6]C[6,6a]C)(C[6a]C[6a]2)(H){3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|N<3>,2|C<3>,2|H<1>}	120.7670	0.389	2	120.7670	0.151	2	120.7670	0.151	2	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[5,6]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6](N[5,6]C[5,6a]C[5,6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl)	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6](N[5,6]C[5,6a]C[5,6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|Cl<1>,1|C<4>,1|H<1>,1|N<2>,1|S<2>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl){1|N<3>,2|C<3>,3|H<1>}	123.4180	0.000	1	123.4180	0.000	1	123.5365	0.028	2	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[5,6]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6](N[5,6]C[5,6a]C[5,6])(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl)	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6](N[5,6]C[5,6a]C[5,6])(C[6a]C[6a]2)(C[6]C[6]H)(H){1|Cl<1>,1|H<1>,1|N<2>,1|N<3>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl){1|Br<1>,1|N<3>,2|C<3>,2|H<1>}	123.6550	0.000	1	123.6550	0.000	1	123.5365	0.028	2	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[5,6]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6](N[5,6]C[5,6a]C[5,6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6](N[5,6]C[5,6a]C[5,6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|Cl<1>,1|C<4>,1|H<1>,1|N<2>,1|S<2>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|N<3>,2|C<3>,2|H<1>}	119.0770	0.000	1	119.0770	0.000	1	120.4657	0.623	30	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[5,6]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6](N[5,6]C[5,6a]C[5,6])(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6](N[5,6]C[5,6a]C[5,6])(C[6a]C[6a]2)(C[6]C[6]H)(H){1|Cl<1>,1|H<1>,1|N<2>,1|N<3>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|Cl<1>,1|H<1>,1|N<3>,2|C<3>}	119.0150	0.000	1	119.0150	0.000	1	120.4657	0.623	30	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[5,6]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]H)2	C[6](N[5,6]C[5,5]C[5,6])(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	C[6](N[5,6]C[5,5]C[5,6])(C[6a]C[6a]2)(C[6]C[6]H)(H){1|O<2>,2|C<4>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,3|H<1>}	120.5955	1.194	2	120.5955	1.426	2	120.4657	0.623	30	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[5,6]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]H)2	C[6](N[5,6]C[5,6]2)(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6](N[5,6]C[5,6]2)(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|N<2>,1|S<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,3|H<1>}	120.6720	1.611	2	120.6720	2.595	2	120.4657	0.623	30	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[5,6]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]H)2	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<2>,1|O<1>,1|S<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,3|H<1>}	120.6243	0.375	12	120.5155	0.217	19	120.4657	0.623	30	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[5,6]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]H)2	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]H)2{1|H<1>,1|O<2>,5|C<3>}	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|S<2>,2|H<1>,2|N<2>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,3|H<1>}	120.0740	0.000	1	120.5155	0.217	19	120.4657	0.623	30	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[5,6]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]H)2	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<2>,1|O<1>,1|S<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	120.7945	0.234	2	120.5155	0.217	19	120.4657	0.623	30	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[5,6]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]H)2	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<2>,1|S<2>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,3|H<1>}	120.5670	0.684	2	120.5155	0.217	19	120.4657	0.623	30	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[5,6]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]H)2	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|S<2>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|N<3>,2|C<3>,2|H<1>}	119.7530	0.416	2	120.5155	0.217	19	120.4657	0.623	30	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[5,6]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]H)2	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H)	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]H)2{1|H<1>,1|O<2>,5|C<3>}	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|S<2>,2|H<1>,2|N<2>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H){1|N<3>,2|C<3>,3|H<1>}	119.8220	0.000	1	119.8220	0.000	1	120.4657	0.623	30	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[5,6]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]H)2	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]N)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]N)(H){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	121.3215	1.141	2	121.3215	1.301	2	120.4657	0.623	30	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[5,6]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]H)2	C[6](N[5,6]N[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6](N[5,6]N[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|O<2>,2|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|N<3>,2|C<3>,2|H<1>}	120.5420	1.657	2	120.5420	2.747	2	120.4657	0.623	30	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[5,6]-3:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]N[5,6]N[6]H)(C[6a]C[6a]H)2	C[6](N[5,6]N[5,6]C[5])(C[6a]C[6a]2)(N[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]N[5,6]N[6]H)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,2|H<1>,3|C<4>}	C[6](N[5,6]N[5,6]C[5])(C[6a]C[6a]2)(N[6]C[6]C)(H){2|C<3>,3|C<4>,6|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|N<3>,3|H<1>}	120.7530	0.356	2	120.7530	0.127	2	120.7530	0.127	2	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[5,6]-3:N[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]N[5,6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6](N[5,6]C[5,6a]C[5,6])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H)	C[6a](C[6]N[5,6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|H<1>,2|C<4>,4|C<3>}	C[6](N[5,6]C[5,6a]C[5,6])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){1|H<1>,1|N<3>,1|O<2>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H){1|C<3>,1|O<2>,2|H<1>,2|N<3>}	117.5790	0.000	1	117.5790	0.000	1	120.2517	1.229	10	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[5,6]-3:N[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]N[5,6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6](N[5,6]C[5,6a]C[5,6])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]N[5,6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){3|H<1>,4|C<3>}	C[6](N[5,6]C[5,6a]C[5,6])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){1|H<1>,1|N<3>,1|O<2>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|H<1>,2|N<3>}	119.2900	0.000	1	119.2900	0.000	1	120.2517	1.229	10	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[5,6]-3:N[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]N[5,6]N[6]H)(C[6a]C[6a]H)2	C[6](N[5,6]C[5,6]N[5])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]N[5,6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|C<3>,3|H<1>}	C[6](N[5,6]C[5,6]N[5])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){1|C<4>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,2|H<1>,2|N<3>}	120.8345	0.227	2	120.8218	0.088	6	120.2517	1.229	10	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[5,6]-3:N[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]N[5,6]N[6]H)(C[6a]C[6a]H)2	C[6](N[5,6]C[5,6]N[5])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]N[5,6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|C<3>,3|H<1>}	C[6](N[5,6]C[5,6]N[5])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){1|C<4>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|N<3>}	120.9725	0.450	2	120.8218	0.088	6	120.2517	1.229	10	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[5,6]-3:N[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]N[5,6]N[6]H)(C[6a]C[6a]H)2	C[6](N[5,6]C[5,6]N[5])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]N[5,6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|C<3>,3|H<1>}	C[6](N[5,6]C[5,6]N[5])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){1|C<4>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|N<3>,3|H<1>}	120.6585	0.291	2	120.8218	0.088	6	120.2517	1.229	10	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[5,6]-3:N[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]N[5,6]N[6]H)(C[6a]C[6a]H)2	C[6](N[5,6]C[5,6]O[5])(N[6]C[6,6a]C)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]N[5,6]N[6]H)(C[6a]C[6a]H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](N[5,6]C[5,6]O[5])(N[6]C[6,6a]C)(C[6a]C[6a]2)(H){2|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|N<3>,3|H<1>}	120.3585	0.760	2	120.3585	0.578	2	120.2517	1.229	10	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[5a,6]-3:C[5,6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]N[5a,6]C[5,6]H)(C[6a]C[6a]H)2	C[6](N[5a,6]N[5a,6]C[5a])(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]N[5a,6]C[5,6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6](N[5a,6]N[5a,6]C[5a])(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,3|H<1>}	120.5310	1.334	4	120.5310	1.780	4	120.5310	1.780	4	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[5a,6]-3:C[6,6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]N[5a,6]C[6,6]H)(C[6a]C[6a]H)2	C[6](N[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]N[5a,6]C[6,6]H)(C[6a]C[6a]H)2{1|N<2>,2|H<1>,4|C<3>}	C[6](N[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|N<2>,1|N<3>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|N<3>,2|C<3>,2|H<1>}	120.6390	0.071	2	120.6390	0.005	2	120.6390	0.005	2	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]N[5a,6]H)(C[6a]C[6a]H)2	C[6](N[5a,6]C[5a,6,6a]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]N[5a,6]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6](N[5a,6]C[5a,6,6a]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H){4|H<1>,7|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,3|H<1>}	120.4205	0.836	4	120.4205	0.699	4	120.4205	0.699	4	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[5a,6]-3:C[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]N[5a,6]C[6]H)(C[6a]C[6a]H)2	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6a]C)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]N[5a,6]C[6]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6a]C)(C[6a]C[6a]2)(H){1|N<2>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,3|H<1>}	120.7053	2.927	4	120.7053	8.568	4	120.7053	8.568	4	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[5a,6]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[6]N[5a,6]C[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6](N[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl)	C[6a](C[6]N[5a,6]C[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|N<2>,2|H<1>,4|C<3>}	C[6](N[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|Cl<1>,1|C<4>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl){1|N<3>,2|C<3>,3|H<1>}	123.0840	0.000	1	123.0840	0.000	1	123.0840	0.000	1	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[5a,6]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]N[5a,6]C[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6](N[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]N[5a,6]C[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|N<2>,2|H<1>,4|C<3>}	C[6](N[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|Cl<1>,1|C<4>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|N<3>,2|C<3>,2|H<1>}	119.1990	0.000	1	119.1990	0.000	1	120.4583	0.732	71	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[5a,6]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]N[5a,6]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]N[5a,6]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]N){2|H<1>,5|C<3>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|N<2>,2|N<3>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|C<3>,2|H<1>,2|N<3>}	117.8890	0.000	1	117.8890	0.000	1	120.4583	0.732	71	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[5a,6]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]N[5a,6]C[6]H)(C[6a]C[6a]H)2	C[6](N[5a,6]C[5a,6,6a]N[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]N[5a,6]C[6]H)(C[6a]C[6a]H)2{1|N<2>,2|H<1>,4|C<3>}	C[6](N[5a,6]C[5a,6,6a]N[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H){3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,3|H<1>}	120.3040	0.233	2	120.3040	0.054	2	120.4583	0.732	71	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[5a,6]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]N[5a,6]C[6]H)(C[6a]C[6a]H)2	C[6](N[5a,6]C[5a,6]2)(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]N[5a,6]C[6]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6](N[5a,6]C[5a,6]2)(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,2|C<3>,2|H<1>,2|N<2>,2|N<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,3|H<1>}	121.0955	1.117	2	121.0955	1.247	2	120.4583	0.732	71	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[5a,6]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]N[5a,6]C[6]H)(C[6a]C[6a]H)2	C[6](N[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]F)(H)	C[6a](C[6]N[5a,6]C[6]H)(C[6a]C[6a]H)2{1|F<1>,1|H<1>,5|C<3>}	C[6](N[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|N<2>,1|O<1>,1|S<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]F)(H){1|N<3>,2|C<3>,3|H<1>}	120.2150	0.000	1	120.2150	0.000	1	120.4583	0.732	71	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[5a,6]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]N[5a,6]C[6]H)(C[6a]C[6a]H)2	C[6](N[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]N[5a,6]C[6]H)(C[6a]C[6a]H)2{1|F<1>,1|H<1>,5|C<3>}	C[6](N[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|N<2>,1|O<1>,1|S<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,3|H<1>}	119.9970	0.000	1	120.5192	0.412	39	120.4583	0.732	71	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[5a,6]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]N[5a,6]C[6]H)(C[6a]C[6a]H)2	C[6](N[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]N[5a,6]C[6]H)(C[6a]C[6a]H)2{1|H<1>,1|O<2>,5|C<3>}	C[6](N[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|N<2>,1|O<1>,1|S<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	119.8850	0.000	1	120.5192	0.412	39	120.4583	0.732	71	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[5a,6]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]N[5a,6]C[6]H)(C[6a]C[6a]H)2	C[6](N[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]N[5a,6]C[6]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6](N[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|N<2>,1|O<1>,1|S<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|N<3>,2|C<3>,2|H<1>}	120.2375	0.463	2	120.5192	0.412	39	120.4583	0.732	71	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[5a,6]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]N[5a,6]C[6]H)(C[6a]C[6a]H)2	C[6](N[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]N[5a,6]C[6]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6](N[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|N<2>,1|O<1>,1|S<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|F<1>,1|N<3>,2|C<3>,2|H<1>}	120.2665	0.138	2	120.5192	0.412	39	120.4583	0.732	71	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[5a,6]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]N[5a,6]C[6]H)(C[6a]C[6a]H)2	C[6](N[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]N[5a,6]C[6]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6](N[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|N<2>,1|O<1>,1|S<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	120.5455	0.753	8	120.5192	0.412	39	120.4583	0.732	71	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[5a,6]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]N[5a,6]C[6]H)(C[6a]C[6a]H)2	C[6](N[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]N[5a,6]C[6]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6](N[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|N<2>,1|O<1>,1|S<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,3|H<1>}	120.5998	0.655	25	120.5192	0.412	39	120.4583	0.732	71	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[5a,6]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]N[5a,6]C[6]H)(C[6a]C[6a]H)2	C[6](N[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H)	C[6a](C[6]N[5a,6]C[6]H)(C[6a]C[6a]H)2{1|H<1>,1|O<2>,5|C<3>}	C[6](N[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|N<2>,1|O<1>,1|S<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	121.6350	0.000	1	121.6350	0.000	1	120.4583	0.732	71	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[5a,6]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]N[5a,6]C[6]H)(C[6a]C[6a]H)2	C[6](N[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]N[5a,6]C[6]H)(C[6a]C[6a]H)2{1|C<2>,1|N<2>,2|H<1>,3|C<3>}	C[6](N[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H){2|H<1>,2|N<2>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,3|H<1>}	119.8905	0.046	2	120.3971	0.513	10	120.4583	0.732	71	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[5a,6]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]N[5a,6]C[6]H)(C[6a]C[6a]H)2	C[6](N[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]N[5a,6]C[6]H)(C[6a]C[6a]H)2{1|N<2>,2|H<1>,4|C<3>}	C[6](N[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,3|H<1>}	120.8985	1.115	2	120.3971	0.513	10	120.4583	0.732	71	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[5a,6]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]N[5a,6]C[6]H)(C[6a]C[6a]H)2	C[6](N[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]N[5a,6]C[6]H)(C[6a]C[6a]H)2{1|N<2>,2|H<1>,4|C<3>}	C[6](N[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>,2|N<2>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|N<3>,2|C<3>,2|H<1>}	120.4690	0.855	4	120.3971	0.513	10	120.4583	0.732	71	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[5a,6]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]N[5a,6]C[6]H)(C[6a]C[6a]H)2	C[6](N[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]N[5a,6]C[6]H)(C[6a]C[6a]H)2{1|N<2>,2|H<1>,4|C<3>}	C[6](N[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,3|H<1>}	120.2585	0.315	2	120.3971	0.513	10	120.4583	0.732	71	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[5a,6]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]N[5a,6]C[6]H)(C[6a]C[6a]H)2	C[6](N[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]N[5a,6]C[6]H)(C[6a]C[6a]H)2{1|N<2>,3|C<3>,3|H<1>}	C[6](N[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(C[6]C[6]H)(H){1|N<2>,1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	120.6545	0.121	2	120.2985	1.524	8	120.4583	0.732	71	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[5a,6]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]N[5a,6]C[6]H)(C[6a]C[6a]H)2	C[6](N[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]N[5a,6]C[6]H)(C[6a]C[6a]H)2{1|N<2>,3|C<3>,3|H<1>}	C[6](N[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(C[6]C[6]H)(H){1|N<3>,2|H<1>,2|N<2>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,3|H<1>}	120.1798	1.436	6	120.2985	1.524	8	120.4583	0.732	71	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[5a,6]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]N[5a,6]C[6]H)(C[6a]C[6a]H)2	C[6](N[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(C[6]C[6]N)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]N[5a,6]C[6]H)(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[6](N[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(C[6]C[6]N)(H){1|C<4>,1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,3|H<1>}	120.7345	0.870	2	120.7345	0.758	2	120.4583	0.732	71	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[5a,6]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]N[5a,6]C[6]H)(C[6a]C[6a]H)2	C[6](N[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(C[6]N[6]O)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]N[5a,6]C[6]H)(C[6a]C[6a]H)2{1|N<2>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6](N[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(C[6]N[6]O)(H){1|C<4>,2|C<3>,2|N<2>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,3|H<1>}	120.1995	2.395	2	120.1995	5.736	2	120.4583	0.732	71	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[5a,6]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]N[5a,6]C[6]H)(C[6a]C[6a]H)2	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]N[5a,6]C[6]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|N<2>,1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	121.1625	0.617	2	121.1625	0.381	2	120.4583	0.732	71	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[5a,6]-3:N[6]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a](C[6]N[5a,6]N[6]H)(C[6a]C[6a,6a]H)(C[6a]N[6a]Cl)	C[6](N[5a,6]C[5a,6a]C[5a,6])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])(H)	C[6a](C[6]N[5a,6]N[6]H)(C[6a]C[6a,6a]H)(C[6a]N[6a]Cl){1|H<1>,5|C<3>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){1|Cl<1>,1|H<1>,2|N<2>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])(H){1|Cl<1>,1|N<2>,2|C<3>,2|H<1>,2|N<3>}	123.9090	0.000	1	123.9090	0.000	1	123.9090	0.000	1	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[5a,6]-3:N[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6]N[5a,6]N[6]H)(C[6a]C[6a]F)(C[6a]C[6a]H)	C[6](N[5a,6]C[5a,6a]C[5a,6])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(F)	C[6a](C[6]N[5a,6]N[6]H)(C[6a]C[6a]F)(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){1|F<1>,1|H<1>,1|N<2>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(F){1|C<3>,2|N<3>,3|H<1>}	121.2700	0.000	1	121.2700	0.000	1	121.2700	0.000	1	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[5a,6]-3:N[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]N[5a,6]N[6]H)(C[6a]C[6a]F)(C[6a]C[6a]H)	C[6](N[5a,6]C[5a,6a]C[5a,6])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]N[5a,6]N[6]H)(C[6a]C[6a]F)(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){1|F<1>,1|H<1>,1|N<2>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|F<1>,2|H<1>,2|N<3>}	122.6130	0.000	1	122.6130	0.000	1	120.8955	3.469	17	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[5a,6]-3:N[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]N[5a,6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6](N[5a,6]C[5a,6a]C[5a,6])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]N[5a,6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]N){3|H<1>,4|C<3>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){1|H<1>,1|N<2>,1|N<3>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|N<3>}	118.4790	0.000	1	118.4790	0.000	1	120.8955	3.469	17	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[5a,6]-3:N[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]N[5a,6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6](N[5a,6]C[5a,6a]C[5a,6])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]N[5a,6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<2>,2|H<1>,4|C<3>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){1|H<1>,1|N<2>,1|O<2>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|H<1>,2|N<3>}	123.8580	0.436	2	122.6607	4.396	3	120.8955	3.469	17	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[5a,6]-3:N[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]N[5a,6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6](N[5a,6]C[5a,6a]C[5a,6])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]N[5a,6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){3|H<1>,4|C<3>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){1|H<1>,1|N<2>,1|O<2>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|N<3>,2|O<2>}	120.2660	0.000	1	122.6607	4.396	3	120.8955	3.469	17	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[5a,6]-3:N[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]N[5a,6]N[6]H)(C[6a]C[6a]H)2	C[6](N[5a,6]C[5a,6]C[5a])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]N[5a,6]N[6]H)(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[6](N[5a,6]C[5a,6]C[5a])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){1|N<2>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|N<3>}	120.7470	0.475	2	120.7470	0.226	2	120.8955	3.469	17	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[5a,6]-3:N[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]N[5a,6]N[6]H)(C[6a]C[6a]H)2	C[6](N[5a,6]C[5a,6]N[5a])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]N[5a,6]N[6]H)(C[6a]C[6a]H)2{1|N<2>,3|C<3>,3|H<1>}	C[6](N[5a,6]C[5a,6]N[5a])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,2|H<1>,2|N<3>}	120.7980	0.916	2	120.7980	0.840	2	120.8955	3.469	17	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[5a,6]-3:N[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]N[5a,6]N[6]H)(C[6a]C[6a]H)2	C[6](N[5a,6]C[5a,6a]C[5a,6])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]N[5a,6]N[6]H)(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){1|N<2>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|F<1>,2|H<1>,2|N<3>}	120.3200	0.834	2	120.3825	3.621	8	120.8955	3.469	17	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[5a,6]-3:N[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]N[5a,6]N[6]H)(C[6a]C[6a]H)2	C[6](N[5a,6]C[5a,6a]C[5a,6])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]N[5a,6]N[6]H)(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){1|N<2>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|N<3>}	120.2500	2.330	4	120.3825	3.621	8	120.8955	3.469	17	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[5a,6]-3:N[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]N[5a,6]N[6]H)(C[6a]C[6a]H)2	C[6](N[5a,6]C[5a,6a]C[5a,6])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]N[5a,6]N[6]H)(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){1|N<2>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|N<3>,3|H<1>}	120.7100	2.841	2	120.3825	3.621	8	120.8955	3.469	17	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]N[6,6]C[6]H)(C[6a]C[6a]H)2	C[6](N[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]N[6,6]C[6]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6](N[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	121.3443	1.670	4	121.3443	2.789	4	121.3443	2.789	4	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]N[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](N[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]N[6,6a]C[6]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6](N[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|N<2>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|N<3>,2|C<3>,2|H<1>}	120.5885	1.429	2	120.5885	2.042	2	120.5885	2.042	2	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[6,6a]-3:N[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]N[6,6a]N[6]H)(C[6a]C[6a]H)2	C[6](N[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]N[6,6a]N[6]H)(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[6](N[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){1|N<2>,1|O<1>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|N<3>}	121.1140	2.704	2	121.1140	7.311	2	121.1140	7.311	2	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](N[6]C[6,6a]C[6a])(C[6]C[6a]N[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|N<2>,2|H<1>,4|C<3>}	C[6](N[6]C[6,6a]C[6a])(C[6]C[6a]N[6])(C[6a]C[6a]2)(H){2|H<1>,8|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,3|H<1>}	120.6775	2.029	2	120.6775	4.116	2	120.8162	1.509	4	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](N[6]C[6a]C[6])(C[6]C[5,6]C)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[5,6]C)(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	120.9550	0.578	2	120.9550	0.335	2	120.8162	1.509	4	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H)	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[6])(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|Cl<1>,1|N<2>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[6])(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	119.3200	0.000	1	119.3200	0.000	1	119.3200	0.000	1	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H)	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[5,6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|Cl<1>,1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[5,6a]H)(H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	120.5050	0.000	1	120.5050	0.000	1	120.8588	3.141	52	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6](N[6]C[6a]O[6])(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|H<1>,3|C<3>,3|O<2>}	C[6](N[6]C[6a]O[6])(C[6a]C[6a]2)(C[6]C[6]H)(H){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	116.0230	0.000	1	116.0230	0.000	1	120.8588	3.141	52	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](N[6]C[5a,6]S)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|S<4>,3|C<3>,3|H<1>}	C[6](N[6]C[5a,6]S)(C[6a]C[6a]2)(C[6]C[6]H)(H){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,3|H<1>}	120.9000	3.364	2	120.9000	11.319	2	120.8588	3.141	52	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]H)(H){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	120.9365	0.207	2	120.7957	1.997	6	120.8588	3.141	52	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,3|H<1>}	120.4490	0.508	2	120.7957	1.997	6	120.8588	3.141	52	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|Cl<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|N<3>,2|C<3>,2|H<1>}	121.0015	3.053	2	120.7957	1.997	6	120.8588	3.141	52	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]O[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]O[6]C)(H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|N<3>,2|C<3>,2|H<1>}	121.0757	2.433	4	121.0757	5.922	4	120.8588	3.141	52	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]O[6]O)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Br)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|Br<1>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]O[6]O)(H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Br)(H){1|N<3>,2|C<3>,3|H<1>}	118.8830	0.000	1	118.8830	0.000	1	120.8588	3.141	52	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]O[6]O)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|Br<1>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]O[6]O)(H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,3|H<1>}	122.3410	0.000	1	122.3410	0.000	1	120.8588	3.141	52	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](N[6]C[6,6a]S)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|S<4>,3|C<3>,3|H<1>}	C[6](N[6]C[6,6a]S)(C[6a]C[6a]2)(C[6]C[6]H)(H){3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	120.8715	4.233	2	120.8715	17.922	2	120.8588	3.141	52	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](N[6]C[6,6a]S)(C[6a]C[6a]2)(C[6]C[6]N)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|N<3>,1|S<4>,2|H<1>,3|C<3>}	C[6](N[6]C[6,6a]S)(C[6a]C[6a]2)(C[6]C[6]N)(H){3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	120.9960	2.483	2	120.9960	6.167	2	120.8588	3.141	52	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<2>,1|N<2>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	121.6240	0.833	2	121.2340	1.933	22	120.8588	3.141	52	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|N<3>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	121.3750	2.496	2	121.2340	1.933	22	120.8588	3.141	52	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|N<3>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|N<3>,2|C<3>,2|H<1>}	121.2040	1.887	6	121.2340	1.933	22	120.8588	3.141	52	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|N<3>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|F<1>,1|N<3>,2|C<3>,2|H<1>}	121.1105	1.082	4	121.2340	1.933	22	120.8588	3.141	52	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|N<3>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,3|H<1>}	121.3748	1.326	4	121.2340	1.933	22	120.8588	3.141	52	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|N<3>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|C<3>,2|H<1>,2|N<3>}	120.9965	1.456	4	121.2340	1.933	22	120.8588	3.141	52	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]H)(H){1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,3|H<1>}	119.4700	1.742	2	119.4700	3.036	2	120.8588	3.141	52	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]N[6]O)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]N[6]O)(H){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	120.6925	2.654	2	120.6925	7.043	2	120.8588	3.141	52	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](N[6]C[6a]N[6])(C[6a]C[6a]2)(C[6]O[6]O)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|N<2>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6](N[6]C[6a]N[6])(C[6a]C[6a]2)(C[6]O[6]O)(H){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|N<3>,2|C<3>,2|H<1>}	120.4040	1.943	2	120.4040	3.776	2	120.8588	3.141	52	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](N[6]C[6a]O[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|O<2>,2|H<1>,4|C<3>}	C[6](N[6]C[6a]O[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|N<3>,2|C<3>,2|H<1>}	121.0025	1.319	4	121.0025	1.739	4	120.8588	3.141	52	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[6]-3:C[6a]-3:S[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]N[6]S[6]H)(C[6a]C[6a]H)2	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(S[6]C[6]O)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]N[6]S[6]H)(C[6a]C[6a]H)2{1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(S[6]C[6]O)(H){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,1|S<3>,3|H<1>}	120.5025	2.594	6	120.5025	6.730	6	120.5025	6.730	6	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[6]-3:S[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]N[6]S[6]H)(C[6a]C[6a]H)2	C[6](N[6]C[6a]C[6])(S[6]C[6,6a]O)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]N[6]S[6]H)(C[6a]C[6a]H)2{1|O<1>,2|H<1>,4|C<3>}	C[6](N[6]C[6a]C[6])(S[6]C[6,6a]O)(C[6a]C[6a]2)(H){1|O<1>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,1|S<3>,3|H<1>}	120.5135	2.409	2	120.5135	5.804	2	120.5135	5.804	2	120.8379	2.143	1461	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:2:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6]C[5a,6]2H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6]C[5a,6]2H)(C[6a]C[6a]H)(C[6a]C[6a]O){2|H<1>,2|N<3>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)(H){1|B<3>,1|H<1>,1|O<2>,2|C<4>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){3|C<3>,3|H<1>}	121.1700	0.000	1	121.1700	0.000	1	121.1700	0.000	1	120.5261	4.510	41	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:2:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:N[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-2:	C[6a](C[6]C[5a,6]N[6]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CC)	C[6a](C[6]C[5a,6]N[6]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){1|C<2>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CC){1|N<3>,2|C<3>,3|H<1>}	121.2620	0.000	1	121.2620	0.000	1	121.2620	0.000	1	120.5261	4.510	41	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-3:C[6,6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6]C[6,6]2H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Br)(OH)	C[6a](C[6]C[6,6]2H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|Br<1>,1|Cl<1>,5|C<3>}	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>,2|O<1>,4|C<4>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Br)(OH){3|C<3>,3|H<1>}	120.2140	0.048	2	120.2140	0.002	2	120.8672	0.546	6	120.5261	4.510	41	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-3:C[6,6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6]C[6,6]2H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6]C[6,6]2H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|Br<1>,1|H<1>,5|C<3>}	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H){1|H<1>,2|C<3>,2|O<1>,2|O<2>,4|C<4>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){3|C<3>,3|H<1>}	121.9710	0.000	1	121.9710	0.000	1	120.8672	0.546	6	120.5261	4.510	41	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-3:C[6,6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6]C[6,6]2H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH)	C[6a](C[6]C[6,6]2H)(C[6a]C[6a]H)(C[6a]C[6a]O){2|H<1>,5|C<3>}	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>,2|O<1>,4|C<4>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH){3|C<3>,3|H<1>}	120.9347	0.566	3	120.9347	0.321	3	120.8672	0.546	6	120.5261	4.510	41	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<2>,2|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>,2|O<2>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){3|C<3>,3|H<1>}	124.1350	0.000	1	124.1350	0.000	1	122.6600	1.657	3	120.5261	4.510	41	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]N)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<3>,2|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]N)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>,2|O<2>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){3|C<3>,3|H<1>}	122.0830	0.000	1	122.0830	0.000	1	122.6600	1.657	3	120.5261	4.510	41	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6](C[6,6]C[6,6]S[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<2>,1|S<4>,2|H<1>,3|C<3>}	C[6](C[6,6]C[6,6]S[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|H<1>,1|N<3>,2|O<1>,3|C<3>,3|O<2>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){3|C<3>,3|H<1>}	121.7620	0.000	1	121.7620	0.000	1	122.6600	1.657	3	120.5261	4.510	41	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){2|H<1>,5|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|H<1>,1|O<1>,2|C<4>,2|O<2>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){3|C<3>,3|H<1>}	121.6180	0.000	1	121.6180	0.000	1	121.6180	0.000	1	120.5261	4.510	41	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6]C[6,6a]2H)(C[6a]C[6a]C)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6]C[6,6a]2H)(C[6a]C[6a]C)(C[6a]C[6a]O){2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H){1|O<2>,2|C<4>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	119.7730	0.000	1	119.7730	0.000	1	119.7730	0.000	1	120.5261	4.510	41	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,2|H<1>,2|O<2>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){3|C<3>,3|H<1>}	122.0860	0.000	1	122.0860	0.000	1	122.2895	0.083	2	120.5261	4.510	41	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]N)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<3>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]N)(H){1|N<3>,2|H<1>,2|O<2>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){3|C<3>,3|H<1>}	122.4930	0.000	1	122.4930	0.000	1	122.2895	0.083	2	120.5261	4.510	41	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[5,6a]-3:C[6a]-3:O-2:	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[5,6a]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]S[6]H)(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C[6])(OH)	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[5,6a]O)(C[6a]C[6a]H){1|S<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]S[6]H)(H){1|N<3>,1|O<2>,2|H<1>,2|O<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C[6])(OH){1|N<2>,1|N<3>,3|C<3>,3|H<1>}	120.0000	0.000	1	120.0000	0.000	1	120.0000	0.000	1	120.5261	4.510	41	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH)	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){2|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]C)(H){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH){1|N<3>,2|C<3>,3|H<1>}	119.9775	0.626	2	119.9775	0.392	2	120.4295	2.841	4	120.5261	4.510	41	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]H)(H){1|H<1>,1|N<2>,1|O<1>,1|O<2>,1|S<2>,2|C<3>,2|N<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|N<3>,2|C<3>,3|H<1>}	122.7940	0.000	1	122.7940	0.000	1	120.4295	2.841	4	120.5261	4.510	41	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(N[6]P[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|P<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(N[6]P[6]C)(H){1|C<4>,1|H<1>,1|O<1>,2|O<2>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|N<3>,2|C<3>,3|H<1>}	118.9690	0.000	1	118.9690	0.000	1	120.4295	2.841	4	120.5261	4.510	41	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a,6a]O)(C[6a]N[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])(OH)	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a,6a]O)(C[6a]N[6a]O){1|C<4>,1|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])(OH){1|O<1>,2|H<1>,2|N<3>,3|C<3>}	120.5790	0.000	1	120.5790	0.000	1	120.4567	0.095	3	120.5261	4.510	41	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a,6a]O)(C[6a]O[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])(OH)	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a,6a]O)(C[6a]O[6a]O){1|C<4>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,2|O<2>,3|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])(OH){1|N<3>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	120.3955	0.409	2	120.3955	0.168	2	120.4567	0.095	3	120.5261	4.510	41	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-3:N[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6](C[6]C[6a]N[6])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<2>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]N[6])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){1|H<1>,1|O<2>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH){1|N<3>,2|C<3>,3|H<1>}	117.1075	0.177	2	117.1075	0.032	2	117.1075	0.032	2	120.5261	4.510	41	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]C)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|N<3>,2|C<3>,3|H<1>}	127.5870	0.000	1	127.5870	0.000	1	120.6161	8.018	10	120.5261	4.510	41	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<2>,2|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|N<3>,2|C<3>,3|H<1>}	118.0040	0.000	1	119.2887	4.601	3	120.6161	8.018	10	120.5261	4.510	41	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){3|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,1|S<1>,2|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|N<3>,2|C<3>,3|H<1>}	121.7650	0.000	1	119.2887	4.601	3	120.6161	8.018	10	120.5261	4.510	41	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){3|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H){1|H<1>,1|N<2>,1|O<2>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|N<3>,2|C<3>,3|H<1>}	118.0970	0.000	1	119.2887	4.601	3	120.6161	8.018	10	120.5261	4.510	41	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){3|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH){1|N<3>,2|C<3>,3|H<1>}	118.6965	0.385	2	118.6965	0.149	2	120.6161	8.018	10	120.5261	4.510	41	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(OC)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<2>,2|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(OC){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	120.3850	0.000	1	120.2510	0.036	2	120.6161	8.018	10	120.5261	4.510	41	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(OC)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<2>,2|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,1|S<1>,2|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(OC){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	120.1170	0.000	1	120.2510	0.036	2	120.6161	8.018	10	120.5261	4.510	41	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]O)2	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]O)2{3|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|O<2>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|H<1>,1|N<3>,2|C<3>,2|O<2>}	121.4065	0.074	2	121.4065	0.006	2	120.6161	8.018	10	120.5261	4.510	41	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:S-2:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]S)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(SC)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]S){3|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]C)(H){1|S<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(SC){1|N<3>,2|C<3>,3|H<1>}	118.7870	0.000	1	118.7870	0.000	1	118.7870	0.000	1	120.5261	4.510	41	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:2:	C[6]-4:C[6a]-3:C[6a]-3:	N[5,6]-3:N[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6]N[5,6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6](N[5,6]C[5,6a]C[5,6])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(OH)	C[6a](C[6]N[5,6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|H<1>,2|C<4>,4|C<3>}	C[6](N[5,6]C[5,6a]C[5,6])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){1|H<1>,1|N<3>,1|O<2>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(OH){1|C<3>,2|N<3>,3|H<1>}	122.3230	0.000	1	122.3230	0.000	1	122.2315	0.017	2	120.5261	4.510	41	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:2:	C[6]-4:C[6a]-3:C[6a]-3:	N[5,6]-3:N[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6]N[5,6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6](N[5,6]C[5,6a]C[5,6])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH)	C[6a](C[6]N[5,6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){3|H<1>,4|C<3>}	C[6](N[5,6]C[5,6a]C[5,6])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){1|H<1>,1|N<3>,1|O<2>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH){1|C<3>,2|N<3>,3|H<1>}	122.1400	0.000	1	122.1400	0.000	1	122.2315	0.017	2	120.5261	4.510	41	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:2:	C[6]-4:C[6a]-3:C[6a]-3:	N[5a,6]-3:N[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6]N[5a,6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6](N[5a,6]C[5a,6a]C[5a,6])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH)	C[6a](C[6]N[5a,6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){3|H<1>,4|C<3>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){1|H<1>,1|N<2>,1|O<2>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH){1|C<3>,1|O<2>,2|H<1>,2|N<3>}	120.8560	0.000	1	120.8560	0.000	1	117.7577	7.218	3	120.5261	4.510	41	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:2:	C[6]-4:C[6a]-3:C[6a]-3:	N[5a,6]-3:N[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6]N[5a,6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6](N[5a,6]C[5a,6a]C[5a,6])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(OH)	C[6a](C[6]N[5a,6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<2>,2|H<1>,4|C<3>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){1|H<1>,1|N<2>,1|O<2>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(OH){1|C<3>,2|N<3>,3|H<1>}	116.2085	0.189	2	116.2085	0.036	2	117.7577	7.218	3	120.5261	4.510	41	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:3:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6]C[5a,6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NOO)	C[6a](C[6]C[5a,6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]H)(H){1|C<4>,1|N<3>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NOO){1|N<3>,2|C<3>,3|H<1>}	124.9690	0.000	1	124.9690	0.000	1	124.9690	0.000	1	123.2874	6.238	14	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:3:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:N[5]-3:	C[6a](C[6]C[5a,6]N[6]H)(C[6a]C[6a]N[5])(C[6a]C[6a]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(N[5]C[5]2)	C[6a](C[6]C[5a,6]N[6]H)(C[6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]H)(H){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(N[5]C[5]2){1|N<3>,2|C<3>,2|C<4>,7|H<1>}	123.4190	0.000	1	123.4190	0.000	1	123.4190	0.000	1	123.2874	6.238	14	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:3:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:N[6]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C[6a](C[6]C[5a,6]N[6]H)(C[6a]C[6a,6a]C)(C[6a]C[6a]H)	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])(CNO)	C[6a](C[6]C[5a,6]N[6]H)(C[6a]C[6a,6a]C)(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){2|H<1>,7|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])(CNO){1|N<3>,3|H<1>,4|C<3>}	122.6960	2.247	4	122.6960	5.050	4	122.6960	5.050	4	123.2874	6.238	14	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-3:C[6,6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6]C[6,6]2H)(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NOO)	C[6a](C[6]C[6,6]2H)(C[6a]C[6a]H)(C[6a]C[6a]N){2|H<1>,5|C<3>}	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>,2|O<1>,4|C<4>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NOO){1|N<3>,2|H<1>,3|C<3>}	126.3750	0.000	1	126.4150	0.003	2	126.4150	0.003	2	123.2874	6.238	14	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-3:C[6,6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6]C[6,6]2H)(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NOO)	C[6a](C[6]C[6,6]2H)(C[6a]C[6a]H)(C[6a]C[6a]N){2|H<1>,5|C<3>}	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H){1|H<1>,2|C<3>,2|N<3>,2|O<1>,4|C<4>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NOO){3|C<3>,3|H<1>}	126.4550	0.000	1	126.4150	0.003	2	126.4150	0.003	2	123.2874	6.238	14	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:N-3:	C[6a](C[6]C[6,6a]2H)(C[6a]N[6a]N)(C[6a]N[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a]C)(NHH)	C[6a](C[6]C[6,6a]2H)(C[6a]N[6a]N)(C[6a]N[6a]O){2|C<4>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H){1|H<1>,1|O<2>,2|C<3>,2|O<1>,5|N<3>}	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a]C)(NHH){1|H<1>,1|N<3>,2|C<3>,2|O<1>}	122.4600	0.000	1	122.4600	0.000	1	122.4600	0.000	1	123.2874	6.238	14	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NCH)	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]N){1|Cl<1>,1|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]H)(H){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NCH){1|N<3>,2|C<3>,3|H<1>}	121.8340	0.000	1	121.8340	0.000	1	121.8340	0.000	1	123.2874	6.238	14	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]B)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]2)(C[6a]C[6a]H){1|B<3>,3|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]B)(H){3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]2)(C[6a]C[6a]H){1|B<3>,1|N<3>,4|C<3>,4|H<1>}	117.8600	0.000	1	117.8600	0.000	1	117.8600	0.000	1	123.2874	6.238	14	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:3:	C[6]-4:C[6a]-3:C[6a]-3:	N[5a,6]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6]N[5a,6]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NOO)	C[6a](C[6]N[5a,6]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]N){2|H<1>,5|C<3>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|N<2>,2|N<3>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NOO){1|N<3>,2|C<3>,3|H<1>}	126.2860	0.000	1	126.2860	0.000	1	126.2860	0.000	1	123.2874	6.238	14	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:3:	C[6]-4:C[6a]-3:C[6a]-3:	N[5a,6]-3:N[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6]N[5a,6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6](N[5a,6]C[5a,6a]C[5a,6])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NHH)	C[6a](C[6]N[5a,6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]N){3|H<1>,4|C<3>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){1|H<1>,1|N<2>,1|N<3>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NHH){1|C<3>,2|N<3>,3|H<1>}	122.3490	0.000	1	122.3490	0.000	1	122.3490	0.000	1	123.2874	6.238	14	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:3:	C[6]-4:C[6a]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6](N[6]C[6a]O[6])(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(CC[6]O)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|H<1>,3|C<3>,3|O<2>}	C[6](N[6]C[6a]O[6])(C[6a]C[6a]2)(C[6]C[6]H)(H){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(CC[6]O){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	123.2320	0.000	1	123.2320	0.000	1	123.2320	0.000	1	123.2874	6.238	14	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:4:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6]C[5a,6]N[6]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]S)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3)	C[6a](C[6]C[5a,6]N[6]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|S<4>,2|C<3>,2|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]S)(H){3|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	121.5780	0.000	1	121.5780	0.000	1	121.5780	0.000	1	121.2692	2.509	15	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6]C[6,6a]2H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CCCH)	C[6a](C[6]C[6,6a]2H)(C[6a]C[6a]C)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H){2|C<4>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CCCH){3|C<3>,3|H<1>}	121.3847	0.577	3	121.3847	0.333	3	121.4163	0.922	8	121.2692	2.509	15	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6]C[6,6a]2H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CC[6]HH)	C[6a](C[6]C[6,6a]2H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|H<1>,1|O<2>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H){2|C<4>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CC[6]HH){1|O<2>,2|H<1>,3|C<3>}	122.2130	0.000	1	122.2130	0.000	1	121.4163	0.922	8	121.2692	2.509	15	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6]C[6,6a]2H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3)	C[6a](C[6]C[6,6a]2H)(C[6a]C[6a]C)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H){1|C<4>,1|P<4>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3){3|C<3>,3|H<1>}	122.0280	0.000	1	122.0280	0.000	1	121.4163	0.922	8	121.2692	2.509	15	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6]C[6,6a]2H)(C[6a]C[6a]C)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CC[6]HH)	C[6a](C[6]C[6,6a]2H)(C[6a]C[6a]C)(C[6a]C[6a]O){2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H){1|O<2>,2|C<4>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CC[6]HH){1|H<1>,2|O<2>,3|C<3>}	122.4720	0.000	1	122.4720	0.000	1	121.4163	0.922	8	121.2692	2.509	15	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6]C[6,6a]2H)(C[6a]C[6a]C)2	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3)	C[6a](C[6]C[6,6a]2H)(C[6a]C[6a]C)2{2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H){2|C<4>,2|H<1>,7|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3){1|H<1>,2|C<4>,3|C<3>}	120.2315	0.924	2	120.2315	0.854	2	121.4163	0.922	8	121.2692	2.509	15	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]C)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3){3|C<3>,3|H<1>}	122.9230	0.000	1	122.9230	0.000	1	122.9230	0.000	1	121.2692	2.509	15	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]S)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3)	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,1|S<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]S)(H){2|C<4>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3){1|N<3>,2|C<3>,3|H<1>}	120.2180	0.000	1	120.2180	0.000	1	120.6414	5.923	5	121.2692	2.509	15	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]C)2	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]O)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3)	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]C)2{1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]O)(H){1|H<1>,3|C<4>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	120.7472	2.797	4	120.7472	7.823	4	120.6414	5.923	5	121.2692	2.509	15	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:2:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6,6]-3:C[6a]-3:C[6]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6,6]C[6]O)(C[6a]C[6a]H)2	C[6](C[5,6,6]C[5,5,6]C[5,6,6])(C[6a]C[6a]2)(C[6]C[6]H)(OC)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6,6]C[6]O)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	C[6](C[5,6,6]C[5,5,6]C[5,6,6])(C[6a]C[6a]2)(C[6]C[6]H)(OC){3|C<3>,3|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,1|O<2>,3|C<3>}	120.7827	0.646	4	120.7827	0.417	4	120.7827	0.417	4	120.6462	3.481	110	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:2:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5a,6]C[6,6a]O)(C[6a]C[6a]H)2	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(OH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5a,6]C[6,6a]O)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(OH){1|C<4>,1|N<3>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|H<1>,3|C<3>}	120.9025	1.563	2	120.9025	2.444	2	120.9025	2.444	2	120.6462	3.481	110	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:2:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[6a]-3:C[6]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5a,6]C[6]O)(C[6a]C[6a]H)2	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(C[6]C[6]O)(OH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5a,6]C[6]O)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(C[6]C[6]O)(OH){2|C<4>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|H<1>,3|C<3>}	120.5730	1.981	2	120.5730	3.926	2	120.5730	3.926	2	120.6462	3.481	110	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:2:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]2C)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(CN)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]2C)(C[6a]C[6a]C)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(CN){1|O<2>,3|H<1>,7|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,4|C<3>}	120.0570	0.000	1	120.0570	0.000	1	120.0570	0.000	1	120.6462	3.481	110	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:2:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]2O)(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(OC)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]2O)(C[6a]C[6a]2)(C[6a]C[6a]H){1|Br<1>,1|H<1>,7|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(OC){1|O<2>,3|H<1>,7|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,4|C<3>}	112.3690	0.000	1	112.3690	0.000	1	120.6638	3.559	57	120.6462	3.481	110	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:2:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]2O)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(OC)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]2O)(C[6a]C[6a]H)(C[6a]C[6a]O){2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(OC){2|O<2>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,2|O<2>,3|C<3>}	122.3500	0.000	1	122.3500	0.000	1	120.6638	3.559	57	120.6462	3.481	110	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:2:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]2O)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(OH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H)	C[6a](C[6]C[6,6a]2O)(C[6a]C[6a]H)(C[6a]C[6a]O){2|C<4>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(OH){2|O<2>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H){1|H<1>,2|O<2>,3|C<3>}	115.7860	0.000	1	115.7860	0.000	1	120.6638	3.559	57	120.6462	3.481	110	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:2:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]2O)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a,6a]C[6a])2(C[6a]C[6a]2)(OH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]2O)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])2(C[6a]C[6a]2)(OH){4|H<1>,7|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|H<1>,3|C<3>}	120.7520	0.181	2	120.7520	0.033	2	120.6638	3.559	57	120.6462	3.481	110	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:2:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]2O)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(OC)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]2O)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(OC){1|N<3>,4|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|H<1>,3|C<3>}	120.8260	0.792	2	120.6050	0.641	4	120.6638	3.559	57	120.6462	3.481	110	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:2:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]2O)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(OC)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]2O)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(OC){1|O<2>,4|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|H<1>,3|C<3>}	120.3840	1.049	2	120.6050	0.641	4	120.6638	3.559	57	120.6462	3.481	110	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:2:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]2O)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(OH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]2O)(C[6a]C[6a]H)2{1|H<1>,1|O<2>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(OH){1|O<2>,4|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|H<1>,3|C<3>}	118.3790	0.000	1	120.8940	2.149	47	120.6638	3.559	57	120.6462	3.481	110	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:2:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]2O)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(OH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]2O)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(OH){1|C<4>,4|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	120.9115	1.785	4	120.8940	2.149	47	120.6638	3.559	57	120.6462	3.481	110	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:2:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]2O)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(OH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]2O)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(OH){1|C<4>,4|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,2|O<2>,3|C<3>}	121.3460	0.892	6	120.8940	2.149	47	120.6638	3.559	57	120.6462	3.481	110	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:2:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]2O)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(OH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]2O)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(OH){1|C<4>,4|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|H<1>,3|C<3>}	120.8985	0.087	2	120.8940	2.149	47	120.6638	3.559	57	120.6462	3.481	110	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:2:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]2O)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(OH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]2O)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(OH){1|O<2>,2|C<4>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|H<1>,3|C<3>}	121.3503	1.672	4	120.8940	2.149	47	120.6638	3.559	57	120.6462	3.481	110	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:2:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]2O)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(OH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]2O)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(OH){1|O<2>,4|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,2|O<2>,3|C<3>}	120.8239	1.535	30	120.8940	2.149	47	120.6638	3.559	57	120.6462	3.481	110	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:2:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]2O)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(OH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H)	C[6a](C[6]C[6,6a]2O)(C[6a]C[6a]H)2{1|H<1>,1|O<2>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(OH){1|O<2>,4|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H){1|O<2>,2|H<1>,3|C<3>}	121.3880	0.000	1	121.3880	0.000	1	120.6638	3.559	57	120.6462	3.481	110	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:2:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]O)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]N)(OO)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6]O)(C[6a]C[6a]H)2{1|N<2>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]N)(OO){1|C<4>,1|N<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|H<1>,3|C<3>}	120.4765	3.432	2	120.4765	11.776	2	120.4765	11.776	2	120.6462	3.481	110	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:2:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6a]-3:O[6]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6a]O[6])(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(O[6]C[6,6a])	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6a]O[6])(C[6a]C[6a]H)2{2|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(O[6]C[6,6a]){1|N<3>,5|H<1>,7|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	121.0400	1.314	4	121.0400	1.726	4	121.0400	1.726	4	120.6462	3.481	110	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:2:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]N[6]C)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]C)(CC)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]N[6]C)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]C)(CC){4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<2>,1|N<3>,2|C<3>,2|H<1>}	120.6710	2.978	2	120.6710	8.870	2	120.6710	8.870	2	120.6462	3.481	110	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:2:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:N[5a,6]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]N[5a,6]O)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(OH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]N[5a,6]O)(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<2>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(OH){1|O<2>,2|H<1>,7|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|O<2>}	120.2670	0.000	1	120.2670	0.000	1	120.2670	0.000	1	120.6462	3.481	110	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:2:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-3:C[6a]-3:C[6a]-3:O[6]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6a]C[6]O[6])(C[6a]C[6a]H)2	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)2(O[6]C[6,6a])	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6a]C[6]O[6])(C[6a]C[6a]H)2{2|H<1>,6|C<3>}	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)2(O[6]C[6,6a]){5|H<1>,8|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,2|H<1>,3|C<3>}	120.5100	1.879	4	120.5100	3.531	4	120.5100	3.531	4	120.6462	3.481	110	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:2:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-3:C[6a]-3:N[6]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]O)(C[6a]C[6a]H)2	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(N[6]C[6]O)(OH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]O)(C[6a]C[6a]H)2{1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(N[6]C[6]O)(OH){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	120.4150	0.314	2	120.4150	0.099	2	120.4128	1.218	4	120.6462	3.481	110	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:2:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-3:C[6a]-3:N[6]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]O)(C[6a]C[6a]H)2	C[6](C[6]C[6a]N[6])(C[6a]C[6a]2)(N[6]C[6]H)(OC)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]O)(C[6a]C[6a]H)2{1|N<2>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]N[6])(C[6a]C[6a]2)(N[6]C[6]H)(OC){1|N<3>,1|S<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	120.4105	1.886	2	120.4105	3.556	2	120.4128	1.218	4	120.6462	3.481	110	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:2:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:B[6]-3:O[6]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6a]B[6]O[6])(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)2(B[6]O[6]O)(O[6]C[6])	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6a]B[6]O[6])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,2|O<2>,3|C<3>}	C[6](C[6a]C[6a]2)2(B[6]O[6]O)(O[6]C[6]){3|C<4>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|B<3>,1|H<1>,1|O<2>,2|C<3>}	120.8095	1.989	4	120.8095	3.956	4	120.8095	3.956	4	120.6462	3.481	110	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:2:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6]-3:O[6]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6a]N[6]O[6])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6](C[6a]C[6a]2)2(N[6]C[6]C)(O[6]C[6])	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Cl)(H)	C[6a](C[6]C[6a]N[6]O[6])(C[6a]C[6a]H)(C[6a]C[6a]N){1|Cl<1>,1|C<4>,1|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)2(N[6]C[6]C)(O[6]C[6]){1|C<4>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Cl)(H){1|H<1>,1|O<2>,2|C<3>,2|N<3>}	120.9540	0.000	1	120.9540	0.000	1	120.5181	4.218	7	120.6462	3.481	110	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:2:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6]-3:O[6]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6a]N[6]O[6])(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)2(N[6]C[6]C)(O[6]C[6])	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6a]N[6]O[6])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)2(N[6]C[6]C)(O[6]C[6]){1|C<4>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	120.8095	3.808	2	120.4455	5.017	6	120.5181	4.218	7	120.6462	3.481	110	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:2:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6]-3:O[6]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6a]N[6]O[6])(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)2(N[6]C[6]C)(O[6]C[6])	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6a]N[6]O[6])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)2(N[6]C[6]C)(O[6]C[6]){1|C<4>,1|O<1>,4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	120.2635	1.843	4	120.4455	5.017	6	120.5181	4.218	7	120.6462	3.481	110	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:2:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[5a,6]-3:C[6a]-3:C[6a]-3:O[6]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]N[5a,6]C[6a]O[6])(C[6a]C[6a]H)2	C[6](N[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)2(O[6]C[3x6])	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]N[5a,6]C[6a]O[6])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|H<1>,4|C<3>}	C[6](N[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)2(O[6]C[3x6]){1|O<2>,2|C<4>,4|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	120.3897	2.961	4	120.3897	8.767	4	120.6146	6.225	16	120.6462	3.481	110	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:2:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[5a,6]-3:C[6a]-3:C[6a]-3:O[6]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]N[5a,6]C[6a]O[6])(C[6a]C[6a]H)2	C[6](N[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)2(O[6]C[6])	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]N[5a,6]C[6a]O[6])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|H<1>,4|C<3>}	C[6](N[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)2(O[6]C[6]){1|O<2>,5|H<1>,7|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	120.5007	2.682	4	120.5007	7.194	4	120.6146	6.225	16	120.6462	3.481	110	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:2:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[5a,6]-3:C[6a]-3:C[6a]-3:O[6]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]N[5a,6]C[6a]O[6])(C[6a]C[6a]H)2	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)2(O[6]C[6])	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]N[5a,6]C[6a]O[6])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,5|C<3>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)2(O[6]C[6]){1|C<4>,6|H<1>,7|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|F<1>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	120.7840	2.536	8	120.7840	6.430	8	120.6146	6.225	16	120.6462	3.481	110	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:2:	3:3:2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6]C[6,6a]2O)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(OC)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6]C[6,6a]2O)(C[6a]C[6a]H)(C[6a]C[6a]O){2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(OC){2|O<2>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|O<2>,2|H<1>,3|C<3>}	119.3160	0.000	1	119.3160	0.000	1	122.4350	19.456	2	121.9413	10.459	3	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:2:	3:3:2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6]C[6,6a]2O)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(OH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(OH)	C[6a](C[6]C[6,6a]2O)(C[6a]C[6a]H)(C[6a]C[6a]O){2|C<4>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(OH){2|O<2>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(OH){1|O<2>,2|H<1>,3|C<3>}	125.5540	0.000	1	125.5540	0.000	1	122.4350	19.456	2	121.9413	10.459	3	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:2:	3:3:2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:N[5a,6]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6]C[6,6a]N[5a,6]O)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(OH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6]C[6,6a]N[5a,6]O)(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<2>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(OH){1|O<2>,2|H<1>,7|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	120.9540	0.000	1	120.9540	0.000	1	120.9540	0.000	1	121.9413	10.459	3	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:2:	3:3:3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[6]C[6,6a]2C)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(CN)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(COO)	C[6a](C[6]C[6,6a]2C)(C[6a]C[6a]C)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(CN){1|O<2>,3|H<1>,7|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(COO){1|C<2>,2|H<1>,3|C<3>}	121.9390	0.000	1	121.9390	0.000	1	121.9390	0.000	1	123.4240	16.704	3	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:2:	3:3:3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6]C[6,6a]2O)(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(OC)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Br)(C[6a]C[6a]2)	C[6a](C[6]C[6,6a]2O)(C[6a]C[6a]2)(C[6a]C[6a]H){1|Br<1>,1|H<1>,7|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(OC){1|O<2>,3|H<1>,7|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Br)(C[6a]C[6a]2){1|Br<1>,1|C<4>,1|O<2>,2|H<1>,5|C<3>}	128.0460	0.000	1	128.0460	0.000	1	128.0460	0.000	1	123.4240	16.704	3	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:2:	3:3:3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6]-3:O[6]-2:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6]C[6a]N[6]O[6])(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6](C[6a]C[6a]2)2(N[6]C[6]C)(O[6]C[6])	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NCC)	C[6a](C[6]C[6a]N[6]O[6])(C[6a]C[6a]H)(C[6a]C[6a]N){1|Cl<1>,1|C<4>,1|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)2(N[6]C[6]C)(O[6]C[6]){1|C<4>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NCC){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	120.2870	0.000	1	120.2870	0.000	1	120.2870	0.000	1	123.4240	16.704	3	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	B[6]-3:C[6a]-3:B[6]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]B[6]2C[5])(C[6a]C[6a]H)2	C[6](B[6]C[5,6]Cl)(C[6a]C[6a]2)(B[6]C[6]Cl)(C[5]C[5]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]B[6]2C[5])(C[6a]C[6a]H)2{2|Cl<1>,2|C<4>,2|H<1>,3|C<3>}	C[6](B[6]C[5,6]Cl)(C[6a]C[6a]2)(B[6]C[6]Cl)(C[5]C[5]2){3|C<4>,4|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,2|B<3>,2|C<3>}	120.4135	0.452	2	120.4135	0.204	2	120.4135	0.204	2	121.0015	3.287	228	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5a,6]C[6,6a]C[6a])(C[6a]C[6a]H)2	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5a,6]C[6,6a]C[6a])(C[6a]C[6a]H)2{2|H<1>,7|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)2{1|C<4>,1|N<3>,5|H<1>,8|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,4|C<3>}	121.2325	2.283	4	121.2325	5.211	4	121.2325	5.211	4	121.0015	3.287	228	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5a,6]C[6a]C[6])(C[6a]C[6a]H)2	C[6](C[5a,6]N[5a,6]C[5a])(C[6a]C[6a]2)2(C[6]C[6]I)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5a,6]C[6a]C[6])(C[6a]C[6a]H)2{1|I<1>,1|N<3>,2|H<1>,5|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])(C[6a]C[6a]2)2(C[6]C[6]I){1|Br<1>,2|C<4>,4|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,4|C<3>}	121.0927	2.041	4	121.0597	3.710	8	121.0597	3.710	8	121.0015	3.287	228	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5a,6]C[6a]C[6])(C[6a]C[6a]H)2	C[6](C[5a,6]N[5a,6]C[5a])(C[6a]C[6a]2)2(C[6]C[6]I)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5a,6]C[6a]C[6])(C[6a]C[6a]H)2{1|I<1>,1|N<3>,2|H<1>,5|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])(C[6a]C[6a]2)2(C[6]C[6]I){1|I<1>,2|C<4>,4|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,4|C<3>}	121.0267	2.119	4	121.0597	3.710	8	121.0597	3.710	8	121.0015	3.287	228	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a]-3:N[6]-3:C[6a]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5a]N[6]2)(C[6a]C[6a]H)2	C[6](C[5a]C[5a]O[5a])(N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5a]N[6]2)(C[6a]C[6a]H)2{1|O<2>,4|C<3>,4|H<1>}	C[6](C[5a]C[5a]O[5a])(N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]H){1|O<1>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|C<3>,2|H<1>,2|N<3>}	120.6115	0.486	2	120.6115	0.236	2	120.6115	0.236	2	121.0015	3.287	228	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-3:C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]C[6a]C[6])(C[6a]C[6a]H)2	C[6](C[6,6]N[5,6,6]C[6])(C[6a]C[6a]2)2(C[6]N[6]O)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]C[6a]C[6])(C[6a]C[6a]H)2{1|O<1>,2|H<1>,2|N<3>,4|C<3>}	C[6](C[6,6]N[5,6,6]C[6])(C[6a]C[6a]2)2(C[6]N[6]O){1|C<4>,6|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,4|C<3>}	120.6140	1.741	4	120.6140	3.031	4	120.6140	3.031	4	121.0015	3.287	228	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)2{2|H<1>,7|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)2{1|C<2>,1|C<4>,5|H<1>,8|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,4|C<3>}	120.9540	2.408	4	121.1190	3.222	12	121.1190	3.222	12	121.0015	3.287	228	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)2{2|H<1>,7|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)2{1|C<2>,1|C<4>,5|H<1>,8|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,4|C<3>}	121.1440	1.918	4	121.1190	3.222	12	121.1190	3.222	12	121.0015	3.287	228	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)2{2|H<1>,7|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)2{1|C<2>,1|C<4>,5|H<1>,8|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,4|C<3>}	121.2590	1.507	4	121.1190	3.222	12	121.1190	3.222	12	121.0015	3.287	228	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]2C[6a])(C[6a]C[6a]H)2	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]2C[6a])(C[6a]C[6a]H)2{2|H<1>,7|C<3>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)2{1|Cl<1>,1|C<4>,5|H<1>,8|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,4|C<3>}	121.1568	1.945	4	121.1568	3.784	4	121.2017	3.075	60	121.0015	3.287	228	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]2C[6a])(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6,6a]C[6a])2(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]2C[6a])(C[6a]C[6a]H)2{2|H<1>,7|C<3>}	C[6](C[6,6a]C[6,6,6a]C[6a])2(C[6a]C[6a]2)2{1|N<3>,6|H<1>,8|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,4|C<3>}	121.7276	1.629	8	121.3158	4.039	20	121.2017	3.075	60	121.0015	3.287	228	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]2C[6a])(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6,6a]C[6a])2(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]2C[6a])(C[6a]C[6a]H)2{2|H<1>,7|C<3>}	C[6](C[6,6a]C[6,6,6a]C[6a])2(C[6a]C[6a]2)2{1|N<3>,6|H<1>,8|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,4|C<3>}	121.0412	2.254	12	121.3158	4.039	20	121.2017	3.075	60	121.0015	3.287	228	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]2C[6a])(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]2C[6a])(C[6a]C[6a]H)2{2|H<1>,7|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)2{1|N<3>,6|H<1>,8|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,4|C<3>}	121.1033	1.612	32	121.1433	2.655	36	121.2017	3.075	60	121.0015	3.287	228	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]2C[6a])(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]2C[6a])(C[6a]C[6a]H)2{2|H<1>,7|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)2{1|O<2>,6|H<1>,8|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,4|C<3>}	121.4630	1.995	4	121.1433	2.655	36	121.2017	3.075	60	121.0015	3.287	228	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]2N)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(NCH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]2N)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(NCH){1|O<2>,4|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|H<1>,3|C<3>}	120.8595	3.881	2	120.8305	4.860	18	120.8305	4.860	18	121.0015	3.287	228	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]2N)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(NCH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]2N)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(NCH){1|S<2>,4|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|H<1>,3|C<3>}	120.8269	2.122	16	120.8305	4.860	18	120.8305	4.860	18	121.0015	3.287	228	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6a]C[6])(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3]C[6])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6a]C[6])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3]C[6])(C[6a]C[6a]2)2{1|N<3>,2|C<4>,6|H<1>,7|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,4|C<3>}	121.3552	3.097	4	121.3552	9.588	4	121.3552	9.588	4	121.0015	3.287	228	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6a]C[6])(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(C[6]C[6]N)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6a]C[6])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(C[6]C[6]N){1|C<4>,1|N<2>,5|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,4|C<3>}	120.7867	2.832	4	120.7867	8.021	4	121.0666	4.351	16	121.0015	3.287	228	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6a]C[6])(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(C[6]C[6]O)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6a]C[6])(C[6a]C[6a]H)2{1|O<1>,2|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(C[6]C[6]O){1|S<4>,5|H<1>,7|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,4|C<3>}	121.2043	1.965	4	121.2043	3.859	4	121.0666	4.351	16	121.0015	3.287	228	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6a]C[6])(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(C[6]O[6]O)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6a]C[6])(C[6a]C[6a]H)2{1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(C[6]O[6]O){1|C<4>,1|O<2>,4|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,4|C<3>}	122.0225	1.282	2	121.3878	1.575	6	121.0666	4.351	16	121.0015	3.287	228	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6a]C[6])(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(C[6]O[6]O)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6a]C[6])(C[6a]C[6a]H)2{1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(C[6]O[6]O){1|C<4>,5|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,4|C<3>}	121.0705	1.294	4	121.3878	1.575	6	121.0666	4.351	16	121.0015	3.287	228	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6a]C[6])(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(C[6]O[6]O)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H)	C[6a](C[6]C[6,6a]C[6a]C[6])(C[6a]C[6a]H)2{1|O<1>,3|O<2>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(C[6]O[6]O){1|C<4>,1|O<2>,4|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H){2|H<1>,4|C<3>}	120.3875	4.451	2	120.3875	19.814	2	121.0666	4.351	16	121.0015	3.287	228	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]N[6]C)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]C)(COO)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]N[6]C)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]C)(COO){1|C<4>,4|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|H<1>,3|C<3>}	121.0170	2.069	2	120.7570	5.084	6	120.7686	4.607	12	121.0015	3.287	228	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]N[6]C)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]C)(COO)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]N[6]C)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]C)(COO){1|N<2>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|H<1>,3|C<3>}	120.6270	2.642	4	120.7570	5.084	6	120.7686	4.607	12	121.0015	3.287	228	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]N[6]C)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]H)(COO)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]N[6]C)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]H)(COO){1|O<2>,4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,1|N<3>,3|C<3>}	120.7230	3.800	2	120.7230	14.440	2	120.7686	4.607	12	121.0015	3.287	228	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]N[6]C)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]S[6]H)(COO)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]N[6]C)(C[6a]C[6a]H)2{1|S<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]S[6]H)(COO){1|O<2>,2|O<1>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|H<1>,3|C<3>}	120.8088	1.898	4	120.8088	3.602	4	120.7686	4.607	12	121.0015	3.287	228	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:N[5a]-3:C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]N[5a]C[6])(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(N[5a]C[5a]N[5a])(C[6]N[5a,6]N)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]N[5a]C[6])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,2|N<3>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5a]C[5a]N[5a])(C[6]N[5a,6]N)(C[6a]C[6a]2){1|O<1>,2|N<3>,4|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|H<1>,3|C<3>}	120.4120	0.523	2	120.4120	0.274	2	120.4120	0.274	2	121.0015	3.287	228	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6a]N[6])(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]H)(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6a]N[6])(C[6a]C[6a]H)2{3|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]H)(C[6a]C[6a]2)2{5|H<1>,8|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|H<1>,3|C<3>}	120.9327	1.564	4	120.9327	2.447	4	120.9075	1.770	8	121.0015	3.287	228	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6a]N[6])(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]O)(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6a]N[6])(C[6a]C[6a]H)2{1|O<1>,2|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]O)(C[6a]C[6a]2)2{5|H<1>,8|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|H<1>,3|C<3>}	120.8822	1.296	4	120.8822	1.681	4	120.9075	1.770	8	121.0015	3.287	228	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-3:C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6a]C[6]2)(C[6a]C[6a]H)2	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)2(C[6]N[6]S)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6a]C[6]2)(C[6a]C[6a]H)2{1|N<2>,1|O<1>,1|S<2>,2|H<1>,4|C<3>}	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)2(C[6]N[6]S){4|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,4|C<3>}	120.5198	2.537	4	120.5198	6.434	4	120.5198	6.434	4	121.0015	3.287	228	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-3:C[6a]-3:N[6]-3:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]C)(C[6a]C[6a]H)2	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(N[6]C[6]H)(CCH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]C)(C[6a]C[6a]H)2{1|O<1>,3|C<3>,3|H<1>}	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(N[6]C[6]H)(CCH){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|H<1>,3|C<3>}	120.9820	1.365	2	120.9820	1.862	2	120.9820	1.862	2	121.0015	3.287	228	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-3:C[6a]-3:N[6]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]N)(C[6a]C[6a]H)2	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(N[6]C[6]C)(NHH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]N)(C[6a]C[6a]H)2{1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(N[6]C[6]C)(NHH){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|C<3>,2|H<1>,2|N<3>}	120.7635	1.509	4	120.7635	2.278	4	120.7635	2.278	4	121.0015	3.287	228	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-3:N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6a]C[6]N[6])(C[6a]C[6a]H)2	C[6](C[6]C[6a]N[6])(N[6]C[6,6a]H)(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6a]C[6]N[6])(C[6a]C[6a]H)2{1|N<2>,3|H<1>,5|C<3>}	C[6](C[6]C[6a]N[6])(N[6]C[6,6a]H)(C[6a]C[6a]2)2{4|H<1>,8|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,2|N<3>,3|C<3>}	121.8545	2.518	2	121.3863	5.035	4	121.3863	5.035	4	121.0015	3.287	228	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-3:N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6a]C[6]N[6])(C[6a]C[6a]H)2	C[6](C[6]C[6a]N[6])(N[6]C[6,6a]H)(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6a]C[6]N[6])(C[6a]C[6a]H)2{1|N<2>,3|H<1>,5|C<3>}	C[6](C[6]C[6a]N[6])(N[6]C[6,6a]H)(C[6a]C[6a]2)2{4|H<1>,8|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|H<1>,3|C<3>}	120.9180	2.809	2	121.3863	5.035	4	121.3863	5.035	4	121.0015	3.287	228	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6a]C[6]2)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)2(C[6]C[6]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6a]C[6]2)(C[6a]C[6a]H)2{4|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)2(C[6]C[6]H)2{1|Se<2>,5|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|H<1>,4|C<3>}	120.7707	1.938	4	120.7707	3.757	4	120.7707	3.757	4	121.0015	3.287	228	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6a]C[6]N[6])(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)2(C[6]C[6]H)(N[6]C[6]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6a]C[6]N[6])(C[6a]C[6a]H)2{4|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)2(C[6]C[6]H)(N[6]C[6]H){4|H<1>,7|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|H<1>,3|C<3>}	121.1788	1.473	4	121.1788	2.171	4	121.1788	2.171	4	121.0015	3.287	228	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6a]C[6]N[6])(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)2(N[6]C[5,6]H)(C[6]C[6]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6a]C[6]N[6])(C[6a]C[6a]H)2{4|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)2(N[6]C[5,6]H)(C[6]C[6]H){1|Re<6>,1|N<3>,1|S<2>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|H<1>,3|C<3>}	121.0005	2.199	4	121.0005	4.837	4	120.8643	4.362	12	121.0015	3.287	228	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6a]C[6]N[6])(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)2(N[6]C[6,6]O)(C[6]C[6]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6a]C[6]N[6])(C[6a]C[6a]H)2{1|O<1>,3|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)2(N[6]C[6,6]O)(C[6]C[6]H){1|C<4>,4|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|H<1>,3|C<3>}	120.7963	2.183	8	120.7963	4.765	8	120.8643	4.362	12	121.0015	3.287	228	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6]-3:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6a]N[6]2)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(N[6]C[6]H)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6a]N[6]2)(C[6a]C[6a]H)2{1|N<2>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(N[6]C[6]H)2{1|C<4>,4|C<3>,7|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|C<3>,2|H<1>,2|N<3>}	120.6775	2.172	2	120.6775	4.716	2	120.6775	4.716	2	121.0015	3.287	228	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]N[5a,6]C)(C[6a]C[6a]H)2	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6,6a]C[5,6,6a]C[6a])(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]N[5a,6]C)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6,6a]C[5,6,6a]C[6a])(C[6a]C[6a]2)(CCH){1|N<2>,1|N<3>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|H<1>,3|C<3>}	120.8230	0.583	2	120.8230	0.339	2	120.8230	0.339	2	121.0015	3.287	228	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]N)(C[6a]C[6a]H)2	C[6](N[6]C[6,6a]C)(C[6]C[5,6]H)(C[6a]C[6a]2)(NCH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]N)(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[6](N[6]C[6,6a]C)(C[6]C[5,6]H)(C[6a]C[6a]2)(NCH){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|C<3>,2|H<1>,2|N<3>}	120.3645	0.599	2	120.3645	0.359	2	120.3645	0.359	2	121.0015	3.287	228	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6a]C[6]N[6])(C[6a]C[6a]H)2	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)2(C[6]C[6]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6a]C[6]N[6])(C[6a]C[6a]H)2{4|H<1>,5|C<3>}	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)2(C[6]C[6]H){1|O<2>,4|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|H<1>,3|C<3>}	121.0938	1.673	4	121.0938	2.800	4	120.9894	3.244	36	121.0015	3.287	228	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6a]C[6]N[6])(C[6a]C[6a]H)2	C[6](N[6]C[6,6a]O)(C[6a]C[6a]2)2(C[6]C[6]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6a]C[6]N[6])(C[6a]C[6a]H)2{1|O<1>,3|H<1>,5|C<3>}	C[6](N[6]C[6,6a]O)(C[6a]C[6a]2)2(C[6]C[6]H){5|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|H<1>,3|C<3>}	120.8014	1.039	8	120.8014	1.079	8	120.9894	3.244	36	121.0015	3.287	228	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6a]C[6]N[6])(C[6a]C[6a]H)2	C[6](N[6]C[6,6a]P)(C[6a]C[6a]2)2(C[6]C[6]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6a]C[6]N[6])(C[6a]C[6a]H)2{1|P<4>,3|H<1>,5|C<3>}	C[6](N[6]C[6,6a]P)(C[6a]C[6a]2)2(C[6]C[6]H){4|H<1>,7|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|H<1>,3|C<3>}	120.8924	2.069	8	120.8924	4.280	8	120.9894	3.244	36	121.0015	3.287	228	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6a]C[6]N[6])(C[6a]C[6a]H)2	C[6](N[6]C[6,6a]S)(C[6a]C[6a]2)2(C[6]C[6]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6a]C[6]N[6])(C[6a]C[6a]H)2{1|S<4>,3|H<1>,5|C<3>}	C[6](N[6]C[6,6a]S)(C[6a]C[6a]2)2(C[6]C[6]H){1|S<2>,4|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|F<1>,1|H<1>,1|N<3>,3|C<3>}	120.8230	2.337	4	121.0579	3.503	8	120.9894	3.244	36	121.0015	3.287	228	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6a]C[6]N[6])(C[6a]C[6a]H)2	C[6](N[6]C[6,6a]S)(C[6a]C[6a]2)2(C[6]C[6]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6a]C[6]N[6])(C[6a]C[6a]H)2{1|S<4>,3|H<1>,5|C<3>}	C[6](N[6]C[6,6a]S)(C[6a]C[6a]2)2(C[6]C[6]H){4|H<1>,7|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,1|N<3>,3|C<3>}	121.2927	1.601	4	121.0579	3.503	8	120.9894	3.244	36	121.0015	3.287	228	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6a]C[6]N[6])(C[6a]C[6a]H)2	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)2(C[6]C[6]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6a]C[6]N[6])(C[6a]C[6a]H)2{3|H<1>,6|C<3>}	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)2(C[6]C[6]H){5|H<1>,8|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,2|H<1>,3|C<3>}	121.1540	2.463	8	121.1540	6.065	8	120.9894	3.244	36	121.0015	3.287	228	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:3:	3:3:2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6]C[6,6a]2N)(C[6a]C[6a]O)2	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(NCH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6]C[6,6a]2N)(C[6a]C[6a]O)2{2|H<1>,5|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(NCH){4|O<2>,7|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	121.8015	6.995	2	121.8015	48.936	2	121.8015	48.936	2	121.8015	48.936	2	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:4:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5a,6]C[6,6a]C)(C[6a]C[6a]H)2	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5a,6]C[6,6a]C)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(CH3){1|C<4>,3|H<1>,7|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	121.0145	3.772	2	121.0145	14.231	2	121.0145	14.231	2	121.1006	3.533	106	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:4:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[6a]-3:C[6]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5a,6]C[6]C)(C[6a]C[6a]H)2	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]C)(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5a,6]C[6]C)(C[6a]C[6a]H)2{1|C<2>,2|H<1>,4|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]C)(CH3){1|C<4>,1|N<2>,1|O<2>,2|C<3>,2|H<1>,2|N<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	121.2920	2.428	2	121.2920	5.896	2	121.2920	5.896	2	121.1006	3.533	106	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:4:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[6a]-3:N[6]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5a,6]N[6]C)(C[6a]C[6a]H)2	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]O)(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5a,6]N[6]C)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]O)(CH3){1|C<2>,1|C<4>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	120.7025	1.166	2	120.7354	1.519	8	120.7354	1.519	8	121.1006	3.533	106	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:4:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[6a]-3:N[6]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5a,6]N[6]C)(C[6a]C[6a]H)2	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]O)(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5a,6]N[6]C)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]O)(CH3){1|C<4>,4|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,1|H<1>,1|N<3>,2|C<3>}	120.6875	2.692	2	120.7354	1.519	8	120.7354	1.519	8	121.1006	3.533	106	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:4:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[6a]-3:N[6]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5a,6]N[6]C)(C[6a]C[6a]H)2	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]O)(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5a,6]N[6]C)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]O)(CH3){1|C<4>,4|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	120.8145	0.524	2	120.7354	1.519	8	120.7354	1.519	8	121.1006	3.533	106	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:4:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[6a]-3:N[6]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5a,6]N[6]C)(C[6a]C[6a]H)2	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]O)(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5a,6]N[6]C)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]O)(CH3){2|C<4>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	120.7370	1.315	2	120.7354	1.519	8	120.7354	1.519	8	121.1006	3.533	106	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:4:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:N[6]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5a,6]N[6]C)(C[6a]C[6a]H)2	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6,6a]H)(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5a,6]N[6]C)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6,6a]H)(C[6a]C[6a]2)(CH3){3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,1|H<1>,1|N<3>,2|C<3>}	121.1935	2.211	2	121.1935	4.889	2	121.1935	4.889	2	121.1006	3.533	106	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:4:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-3:C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]C[6a]C[6])(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)2(C[6]C[6]HH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]C[6a]C[6])(C[6a]C[6a]H)2{2|C<4>,4|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)2(C[6]C[6]HH){1|C<4>,1|F<1>,6|C<3>,7|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	120.8925	1.288	23	120.8925	1.660	23	120.8925	1.660	23	121.1006	3.533	106	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:4:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[5]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[5]C[6])(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[5]N[5]O[5])(C[6a]C[6a]2)(C[6]C[6]HH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[5]C[6])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,1|O<2>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5]N[5]O[5])(C[6a]C[6a]2)(C[6]C[6]HH){3|C<4>,4|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	120.8100	2.458	2	120.8100	6.041	2	120.8100	6.041	2	121.1006	3.533	106	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:4:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]2C)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a,6a]C[5a,6a])(C[6,6a]C[6,6a,6a]C[6,6a])(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]2C)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[5a,6a])(C[6,6a]C[6,6a,6a]C[6,6a])(C[6a]C[6a]2)(CCHH){1|C<4>,2|H<1>,8|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	120.8965	0.680	2	120.8965	0.462	2	121.0535	3.765	11	121.1006	3.533	106	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:4:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]2C)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]2C)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(CH3){1|N<3>,4|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,1|H<1>,3|C<3>}	120.7335	3.942	2	121.0884	4.641	9	121.0535	3.765	11	121.1006	3.533	106	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:4:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]2C)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]2C)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(CH3){1|N<3>,4|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,4|C<3>}	120.8615	1.213	2	121.0884	4.641	9	121.0535	3.765	11	121.1006	3.533	106	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:4:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]2C)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]2C)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(CH3){1|N<3>,4|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	121.2185	3.706	2	121.0884	4.641	9	121.0535	3.765	11	121.1006	3.533	106	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:4:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]2C)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]2C)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(CH3){1|N<3>,4|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	121.3897	1.692	3	121.0884	4.641	9	121.0535	3.765	11	121.1006	3.533	106	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:4:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]C)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a,6a]C[6,6a])(C[6]C[6,6a]O)(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6]C)(C[6a]C[6a]H)2{1|O<1>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6,6a])(C[6]C[6,6a]O)(C[6a]C[6a]2)(CCHH){1|C<4>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	120.7360	2.341	2	120.7360	5.478	2	120.8538	2.387	6	121.1006	3.533	106	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:4:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]C)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(C[6a]C[6a]2)(CHHP)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6]C)(C[6a]C[6a]H)2{1|O<1>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(C[6a]C[6a]2)(CHHP){3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	121.0150	0.409	2	121.0150	0.167	2	120.8538	2.387	6	121.1006	3.533	106	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:4:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]C)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]O)(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6]C)(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]O)(C[6a]C[6a]2)(CH3){2|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	120.8105	2.491	2	120.8105	6.206	2	120.8538	2.387	6	121.1006	3.533	106	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:4:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]C)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]H)(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6]C)(C[6a]C[6a]H)(C[6a]C[6a]O){3|H<1>,4|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]H)(CH3){1|H<1>,2|O<2>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	123.1540	0.000	1	123.1540	0.000	1	121.2501	6.245	11	121.1006	3.533	106	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:4:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]C)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a,6a]N[6a])(C[6a]C[6a]2)(C[6]N[6]O)(CCHH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6]C)(C[6a]C[6a]H)2{1|N<2>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a,6a]N[6a])(C[6a]C[6a]2)(C[6]N[6]O)(CCHH){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	120.8625	2.343	2	120.8625	5.488	2	121.2501	6.245	11	121.1006	3.533	106	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:4:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]C)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6]C)(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)(CH3){1|O<2>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	121.6980	3.555	2	121.6980	12.640	2	121.2501	6.245	11	121.1006	3.533	106	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:4:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]C)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]N)(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6]C)(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]N)(CH3){4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	120.8955	2.582	2	120.8955	6.665	2	121.2501	6.245	11	121.1006	3.533	106	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:4:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]C)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]O)(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6]C)(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]O)(CH3){1|O<2>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	120.4180	2.867	2	120.4180	8.217	2	121.2501	6.245	11	121.1006	3.533	106	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:4:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]C)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]H)(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6]C)(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]H)(CH3){1|O<2>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,1|H<1>,3|C<3>}	121.4245	4.839	2	121.4245	23.413	2	121.2501	6.245	11	121.1006	3.533	106	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:4:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6a]C[6])(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(C[6]C[6]CC)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6a]C[6])(C[6a]C[6a]H)2{1|C<4>,2|C<2>,2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(C[6]C[6]CC){1|C<4>,6|C<3>,7|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	121.8997	0.939	4	121.8997	0.882	4	121.4964	1.493	12	121.1006	3.533	106	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:4:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6a]C[6])(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(C[6]C[6]HH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6a]C[6])(C[6a]C[6a]H)2{1|C<4>,4|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(C[6]C[6]HH){1|N<3>,6|C<3>,7|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|F<1>,1|H<1>,3|C<3>}	121.2195	1.995	4	121.2195	3.980	4	121.4964	1.493	12	121.1006	3.533	106	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:4:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6a]C[6])(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(C[6]C[6]HN)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6a]C[6])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(C[6]C[6]HN){1|N<3>,6|C<3>,7|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	121.3700	0.522	4	121.3700	0.272	4	121.4964	1.493	12	121.1006	3.533	106	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:4:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]N[6]C)(C[6a]C[6a,6a]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]H)(CF3)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C[6])(H)	C[6a](C[6]C[6,6a]N[6]C)(C[6a]C[6a,6a]O)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]H)(CF3){1|N<3>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C[6])(H){1|C<4>,1|N<3>,1|O<2>,3|C<3>}	124.2690	0.000	1	124.2690	0.000	1	122.3897	7.449	3	121.1006	3.533	106	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:4:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]N[6]C)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]S[6]H)(CCHH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]N[6]C)(C[6a]C[6a]H)2{1|S<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]S[6]H)(CCHH){1|O<2>,2|O<1>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	121.4500	3.099	2	121.4500	9.601	2	122.3897	7.449	3	121.1006	3.533	106	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:4:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-3:C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6a]C[6]2)(C[6a]C[6a]H)2	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)2(C[6]C[6]HH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6a]C[6]2)(C[6a]C[6a]H)2{1|C<4>,4|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)2(C[6]C[6]HH){1|N<3>,6|C<3>,7|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	121.4227	2.866	4	121.4227	8.212	4	121.4227	8.212	4	121.1006	3.533	106	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:4:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-3:N[6]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]C)(C[6a]C[6a]H)2	C[6](C[6]C[6a]N[6])(N[6]C[6,6a]H)(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]C)(C[6a]C[6a]H)2{1|N<2>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]N[6])(N[6]C[6,6a]H)(C[6a]C[6a]2)(CCHH){2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	121.4355	2.108	2	121.4355	4.443	2	121.4355	4.443	2	121.1006	3.533	106	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:4:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:N[6]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]C)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]C)(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H)	C[6a](C[6]C[6]N[6]C)(C[6a]C[6a]H)2{1|H<1>,3|C<3>,3|C<4>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]C)(CH3){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	120.7075	1.918	2	120.7075	3.680	2	120.7075	3.680	2	121.1006	3.533	106	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:4:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[5a,6]-3:C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]N[5a,6]C[6a]C[6])(C[6a]C[6a]H)2	C[6](N[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)2(C[6]C[6]HH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]N[5a,6]C[6a]C[6])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,4|C<3>,4|H<1>}	C[6](N[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)2(C[6]C[6]HH){2|O<2>,5|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	120.7015	2.646	4	120.7015	7.004	4	120.7015	7.004	4	121.1006	3.533	106	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:4:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[5a,6]-3:N[6]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]N[5a,6]N[6]C)(C[6a]C[6a]H)2	C[6](N[5a,6]C[5a,6a]C[5a,6])(N[6]C[6,6a]H)(C[6a]C[6a]2)(CF3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]N[5a,6]N[6]C)(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(N[6]C[6,6a]H)(C[6a]C[6a]2)(CF3){2|H<1>,7|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|N<3>}	120.6928	4.987	4	120.6928	24.871	4	120.6928	24.871	4	121.1006	3.533	106	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:4:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]C)(C[6a]C[6a]H)2	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]H)(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]C)(C[6a]C[6a]H)2{3|C<3>,4|H<1>}	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]H)(CH3){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	121.8430	1.410	2	121.3115	1.219	8	121.3115	1.219	8	121.1006	3.533	106	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:4:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]C)(C[6a]C[6a]H)2	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]H)(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]C)(C[6a]C[6a]H)2{3|C<3>,4|H<1>}	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]H)(CH3){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	120.9170	1.050	4	121.3115	1.219	8	121.3115	1.219	8	121.1006	3.533	106	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:4:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]C)(C[6a]C[6a]H)2	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]H)(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]C)(C[6a]C[6a]H)2{3|C<3>,4|H<1>}	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]H)(CH3){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,1|H<1>,1|N<3>,2|C<3>}	121.5690	1.385	2	121.3115	1.219	8	121.3115	1.219	8	121.1006	3.533	106	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:4:	3:3:2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6]C[6,6a]2N)(C[6a]C[6a]O)2	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(NCHH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6]C[6,6a]2N)(C[6a]C[6a]O)2{2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(NCHH){5|O<2>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|H<1>,1|N<4>,1|O<2>,3|C<3>}	121.4675	7.408	2	121.4675	54.884	2	121.4675	54.884	2	119.9965	22.941	4	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:4:	3:3:2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:C-4:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6]C[6,6a]C[6]C)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]H)(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6]C[6,6a]C[6]C)(C[6a]C[6a]H)(C[6a]C[6a]O){3|H<1>,4|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]H)(CH3){1|H<1>,2|O<2>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|C<4>,2|H<1>,3|C<3>}	120.1510	0.000	1	120.1510	0.000	1	120.1510	0.000	1	119.9965	22.941	4	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:3:4:	3:3:2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:C-4:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a](C[6]C[6,6a]N[6]C)(C[6a]C[6a,6a]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]H)(CF3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])(OH)	C[6a](C[6]C[6,6a]N[6]C)(C[6a]C[6a,6a]O)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]H)(CF3){1|N<3>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])(OH){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	116.9000	0.000	1	116.9000	0.000	1	116.9000	0.000	1	119.9965	22.941	4	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:2:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:N[6a]-2:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a])(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]N[6a]H){1|C<4>,2|C<3>,4|H<1>}	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	118.9420	0.000	1	118.9420	0.000	1	118.9420	0.000	1	118.9420	0.000	1	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-3:C[6a]-3:C[6]-4:H-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a,6a]H)(C[6a]C[6a]H)	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a,6a]H)(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<3>,1|O<2>,4|C<3>,4|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])(H){1|C<4>,3|H<1>,4|C<3>}	119.6040	0.830	2	119.6040	0.689	2	119.6040	0.689	2	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a,6a]H)(C[6a]C[6a]H)	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C[6])(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a,6a]H)(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<3>,1|O<2>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C[6])(H){1|C<4>,2|H<1>,3|C<3>}	121.0865	0.790	2	121.0865	0.624	2	120.9202	1.419	30	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Cl)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{1|Cl<1>,1|C<4>,2|H<1>,4|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|O<2>,2|H<1>,2|O<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Cl)(H){1|C<4>,2|C<3>,3|H<1>}	119.2010	0.873	2	119.2010	0.761	2	120.9202	1.419	30	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,3|H<1>,4|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|O<2>,2|C<3>,2|H<1>,2|N<3>,3|C<4>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.9490	0.221	2	121.2424	0.818	10	120.9202	1.419	30	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{1|Cl<1>,1|C<4>,2|H<1>,4|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|O<2>,2|H<1>,2|O<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	121.8810	0.477	2	121.2424	0.818	10	120.9202	1.419	30	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{2|C<3>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|N<3>,2|O<2>,3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	120.8628	1.181	4	121.2424	0.818	10	120.9202	1.419	30	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|C<4>,2|N<3>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	121.6565	0.999	2	121.2424	0.818	10	120.9202	1.419	30	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]CN)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]CN)(H){1|N<3>,1|O<1>,1|O<2>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	120.6025	0.688	2	120.6025	0.473	2	120.9202	1.419	30	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,2|O<2>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	121.3580	3.584	2	120.8885	4.284	6	120.9202	1.419	30	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<3>,2|O<2>,3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.4185	1.169	2	120.8885	4.284	6	120.9202	1.419	30	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{4|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,2|H<1>,2|N<3>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.8890	2.516	2	120.8885	4.284	6	120.9202	1.419	30	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]N[6]CH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{1|N<3>,3|H<1>,4|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]N[6]CH)(H){4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	121.3510	1.353	2	121.3510	1.832	2	120.9202	1.419	30	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[5,6]C[5,6]O[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]O[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H){2|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	121.0950	0.082	2	121.0950	0.007	2	120.9202	1.419	30	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[5,6]C[5,6]S[5])(C[6a]C[6a]2)(C[6]S[6]CH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{1|S<2>,1|S<4>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]S[5])(C[6a]C[6a]2)(C[6]S[6]CH)(H){2|C<3>,2|H<1>,2|O<1>,3|C<4>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	120.6455	0.657	2	120.7950	0.319	4	120.9202	1.419	30	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[5,6]C[5,6]S[5])(C[6a]C[6a]2)(C[6]S[6]CH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{1|S<2>,1|S<4>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]S[5])(C[6a]C[6a]2)(C[6]S[6]CH)(H){2|C<3>,2|H<1>,2|O<1>,3|C<4>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	120.9445	0.661	2	120.7950	0.319	4	120.9202	1.419	30	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a,6a]H)(C[6a]C[6a]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])(H)	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a,6a]H)(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,2|H<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])(H){1|C<4>,3|H<1>,4|C<3>}	121.0530	0.000	1	121.0530	0.000	1	121.0530	0.000	1	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a,6a]H)(C[6a]C[6a]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C[6])(H)	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a,6a]H)(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C[6])(H){1|C<4>,2|H<1>,3|C<3>}	119.8350	0.000	1	119.8350	0.000	1	120.8748	1.251	109	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6](C[5a,6]C[5a,6]S[5a])(C[6a]C[6a]2)(C[6]C[6]CC)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Br)(H)	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){2|Br<1>,1|S<2>,2|C<4>,3|C<3>}	C[6](C[5a,6]C[5a,6]S[5a])(C[6a]C[6a]2)(C[6]C[6]CC)(H){1|N<3>,1|O<2>,1|S<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Br)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	121.2260	0.000	1	121.2260	0.000	1	120.8748	1.251	109	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Cl)(H)	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2{1|Cl<1>,1|C<4>,2|H<1>,4|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|N<2>,1|N<3>,2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Cl)(H){1|C<4>,2|C<3>,3|H<1>}	119.8540	0.000	1	119.8540	0.000	1	120.8748	1.251	109	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2{1|C<2>,3|H<1>,4|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|C<4>,1|N<2>,1|O<1>,2|C<3>,2|H<1>,2|N<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	121.3835	0.660	2	121.0024	0.390	21	120.8748	1.251	109	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2{1|C<2>,3|H<1>,4|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|C<4>,1|N<2>,1|O<1>,2|C<3>,2|H<1>,2|N<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|F<1>,2|C<3>,2|H<1>}	121.0075	1.324	2	121.0024	0.390	21	120.8748	1.251	109	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,3|H<1>,4|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|C<2>,2|N<3>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	120.7445	0.499	2	121.0024	0.390	21	120.8748	1.251	109	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,3|H<1>,4|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|C<4>,1|N<2>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	121.1870	0.107	2	121.0024	0.390	21	120.8748	1.251	109	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,3|H<1>,4|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.7140	0.402	2	121.0024	0.390	21	120.8748	1.251	109	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,3|H<1>,4|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|N<2>,1|N<3>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	121.2265	0.926	2	121.0024	0.390	21	120.8748	1.251	109	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,3|H<1>,4|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|N<2>,1|N<3>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	121.1340	1.267	2	121.0024	0.390	21	120.8748	1.251	109	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,3|H<1>,4|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|N<2>,1|N<3>,2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.8383	0.638	4	121.0024	0.390	21	120.8748	1.251	109	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,3|H<1>,4|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|N<2>,2|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.8465	0.721	2	121.0024	0.390	21	120.8748	1.251	109	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2{1|Cl<1>,1|C<4>,2|H<1>,4|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|N<2>,1|N<3>,2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	121.2110	0.000	1	121.0024	0.390	21	120.8748	1.251	109	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<3>,1|O<2>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	121.0355	1.848	2	120.8050	1.047	10	120.8748	1.251	109	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2{4|C<3>,4|H<1>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|N<2>,1|O<1>,2|C<3>,2|H<1>,2|N<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	120.8397	0.847	6	120.8050	1.047	10	120.8748	1.251	109	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2{4|C<3>,4|H<1>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|N<2>,1|O<1>,2|C<3>,2|H<1>,2|N<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	120.4705	1.443	2	120.8050	1.047	10	120.8748	1.251	109	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]HN)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|C<4>,1|N<2>,1|N<3>,1|O<2>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.7335	2.123	2	121.0380	2.020	4	120.8748	1.251	109	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]HN)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2{1|N<3>,3|H<1>,4|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|C<4>,1|N<2>,1|O<1>,2|C<3>,2|H<1>,2|N<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	121.3425	1.087	2	121.0380	2.020	4	120.8748	1.251	109	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]HO)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2{1|O<2>,3|H<1>,4|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]HO)(H){1|O<2>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	120.6235	1.046	2	120.6235	1.094	2	120.8748	1.251	109	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2{1|N<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	121.1080	0.000	1	121.1080	0.000	1	120.8748	1.251	109	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|Cl<1>,1|C<4>,1|S<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	121.1800	1.134	2	121.1800	1.286	2	120.8748	1.251	109	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[5a,6]C[5a,6]S[5a])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,1|S<2>,3|C<3>,3|H<1>}	C[6](C[5a,6]C[5a,6]S[5a])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	120.9345	1.090	2	121.3418	0.446	6	120.8748	1.251	109	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[5a,6]C[5a,6]S[5a])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,1|S<2>,3|C<3>,3|H<1>}	C[6](C[5a,6]C[5a,6]S[5a])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|N<2>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	121.5455	0.426	4	121.3418	0.446	6	120.8748	1.251	109	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[5a,6]C[5a,6]S[5a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,1|S<2>,2|C<3>,4|H<1>}	C[6](C[5a,6]C[5a,6]S[5a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<3>,1|O<2>,1|S<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.7018	1.315	4	120.6963	1.816	6	120.8748	1.251	109	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[5a,6]C[5a,6]S[5a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2{1|S<2>,3|C<3>,4|H<1>}	C[6](C[5a,6]C[5a,6]S[5a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<2>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.6855	1.972	2	120.6963	1.816	6	120.8748	1.251	109	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]CC)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,5|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]CC)(H){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.7565	1.575	2	120.7565	2.480	2	120.8748	1.251	109	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,3|H<1>,4|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|C<4>,1|N<3>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.8785	0.832	2	120.8785	0.693	2	120.8748	1.251	109	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Cl)(H)	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2{1|Cl<1>,3|H<1>,4|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<3>,1|O<2>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Cl)(H){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	118.1400	0.000	1	118.1400	0.000	1	120.8748	1.251	109	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	121.0205	1.044	2	120.9948	1.483	21	120.8748	1.251	109	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	120.5015	2.235	2	120.9948	1.483	21	120.8748	1.251	109	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	121.2080	0.164	2	120.9948	1.483	21	120.8748	1.251	109	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	121.1875	1.317	2	120.9948	1.483	21	120.8748	1.251	109	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<3>,2|H<1>,7|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	121.0815	0.042	2	120.9948	1.483	21	120.8748	1.251	109	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2{1|Cl<1>,3|H<1>,4|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<3>,1|O<2>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	123.7820	0.000	1	120.9948	1.483	21	120.8748	1.251	109	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2{4|C<3>,4|H<1>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	121.0010	0.509	2	120.9948	1.483	21	120.8748	1.251	109	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2{4|C<3>,4|H<1>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<3>,1|O<2>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.7940	1.336	4	120.9948	1.483	21	120.8748	1.251	109	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2{4|C<3>,4|H<1>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<2>,1|S<2>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.4832	1.478	4	120.9948	1.483	21	120.8748	1.251	109	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]HN)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|N<3>,1|S<2>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	120.7225	1.042	2	120.6852	0.332	6	120.8748	1.251	109	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]HN)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|N<3>,2|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	120.6250	0.279	2	120.6852	0.332	6	120.8748	1.251	109	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]HN)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2{1|N<3>,3|H<1>,4|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|N<3>,1|O<1>,1|S<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.7080	0.696	2	120.6852	0.332	6	120.8748	1.251	109	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]N[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Cl)(H)	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2{1|Cl<1>,1|N<3>,3|C<3>,3|H<1>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]N[6]HH)(H){1|C<4>,1|N<3>,1|S<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Cl)(H){1|C<4>,2|C<3>,3|H<1>}	120.0190	0.000	1	120.0190	0.000	1	120.8748	1.251	109	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]N[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2{1|Cl<1>,1|N<3>,3|C<3>,3|H<1>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]N[6]HH)(H){1|C<4>,1|N<3>,1|S<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.3890	0.000	1	120.8246	0.537	9	120.8748	1.251	109	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]N[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,4|H<1>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]N[6]HH)(H){1|C<4>,1|N<3>,1|S<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.7872	0.404	6	120.8246	0.537	9	120.8748	1.251	109	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]N[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,4|H<1>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]N[6]HH)(H){1|C<4>,1|N<3>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	121.1545	1.752	2	120.8246	0.537	9	120.8748	1.251	109	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]O[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2{1|O<2>,3|C<3>,4|H<1>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]O[6]HH)(H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	121.3310	1.092	2	121.3310	1.192	2	120.8748	1.251	109	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[5a,6]N[5a,6]C[5a])(C[6a]C[6a]2)(C[6]N[6]CC)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2{2|H<1>,2|N<3>,4|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])(C[6a]C[6a]2)(C[6]N[6]CC)(H){2|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	121.0280	2.633	2	121.0280	6.934	2	120.8748	1.251	109	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[5a,6]N[5a,6]C[5a])(C[6a]C[6a]2)(C[6]N[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2{2|C<3>,2|N<3>,4|H<1>}	C[6](C[5a,6]N[5a,6]C[5a])(C[6a]C[6a]2)(C[6]N[6]HH)(H){1|O<2>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	121.1830	0.228	2	121.1830	0.052	2	120.8748	1.251	109	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[5a,6]N[5a,6]N[5a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<2>,1|N<3>,4|H<1>}	C[6](C[5a,6]N[5a,6]N[5a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>,2|N<2>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.8755	0.022	2	120.5512	7.302	6	120.8748	1.251	109	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[5a,6]N[5a,6]N[5a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|C<3>,4|H<1>}	C[6](C[5a,6]N[5a,6]N[5a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<2>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.0610	4.195	2	120.5512	7.302	6	120.8748	1.251	109	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[5a,6]N[5a,6]N[5a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|C<3>,4|H<1>}	C[6](C[5a,6]N[5a,6]N[5a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<2>,2|H<1>,2|N<2>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.7170	4.262	2	120.5512	7.302	6	120.8748	1.251	109	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[6a]-3:N[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5a,6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5a,6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]HH)(H){1|C<4>,1|N<3>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<4>,1|O<2>,2|C<3>,2|H<1>}	122.4590	0.000	1	122.4590	0.000	1	120.7058	5.486	5	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[6a]-3:N[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5a,6]N[6]H)(C[6a]C[6a]H)2	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]CH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5a,6]N[6]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]CH)(H){1|C<4>,4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<3>,1|N<4>,2|C<3>,2|H<1>}	119.9225	3.562	2	119.9225	12.686	2	120.7058	5.486	5	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[6a]-3:N[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5a,6]N[6]H)(C[6a]C[6a]H)2	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5a,6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]HH)(H){1|C<4>,4|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<4>,1|O<2>,2|C<3>,2|H<1>}	120.6125	2.222	2	120.6125	4.939	2	120.7058	5.486	5	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-3:C[6a]-3:C[6]-4:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[6])(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|O<2>,3|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>,2|O<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[6])(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	118.0260	0.000	1	118.0260	0.000	1	118.0260	0.000	1	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:Br-1:	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Br)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]Br)(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|Br<1>,1|H<1>,1|O<1>,2|O<2>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Br){1|C<4>,2|C<3>,3|H<1>}	121.4455	0.487	2	121.4455	0.237	2	121.4455	0.237	2	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[5,6a]H)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|O<2>,3|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>,2|O<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[5,6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	122.5090	0.000	1	122.5090	0.000	1	120.9739	2.512	43	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]Br)(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|Br<1>,1|H<1>,1|O<1>,2|O<2>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	122.0705	0.862	2	122.0705	0.743	2	120.9739	2.512	43	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<2>,2|H<1>,5|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|O<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	123.5180	0.000	1	123.5180	0.000	1	120.9739	2.512	43	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]HN)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<3>,3|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|H<1>,2|C<3>,2|C<4>,2|O<1>,2|O<2>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	119.3190	0.000	1	119.3190	0.000	1	120.9739	2.512	43	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6]C[5,6]C[6,6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6]C[5,6]C[6,6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){2|C<4>,2|O<2>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.9130	0.017	2	120.9130	0.000	2	120.9739	2.512	43	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,3|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|N<3>,1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	120.9290	1.844	2	120.9346	1.357	10	120.9739	2.512	43	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,3|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|O<1>,2|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	120.6795	1.196	2	120.9346	1.357	10	120.9739	2.512	43	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,3|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>,2|O<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	121.0735	0.436	2	120.9346	1.357	10	120.9739	2.512	43	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{3|H<1>,5|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>,2|O<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	120.9955	1.529	4	120.9346	1.357	10	120.9739	2.512	43	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Cl)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{1|Cl<1>,1|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<1>,2|C<4>,2|H<1>,2|O<2>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Cl)(H){1|C<4>,2|C<3>,3|H<1>}	123.3080	0.000	1	123.3080	0.000	1	120.9739	2.512	43	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.7300	0.038	2	120.6583	2.379	15	120.9739	2.512	43	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	120.7070	2.322	2	120.6583	2.379	15	120.9739	2.512	43	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|H<1>,2|O<2>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	121.0615	0.032	2	120.6583	2.379	15	120.9739	2.512	43	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<1>,2|C<4>,2|H<1>,2|O<2>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	120.9730	2.394	4	120.6583	2.379	15	120.9739	2.512	43	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{1|Cl<1>,1|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<1>,2|C<4>,2|H<1>,2|O<2>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	117.6010	0.000	1	120.6583	2.379	15	120.9739	2.512	43	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{4|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>,2|O<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	120.5375	0.279	2	120.6583	2.379	15	120.9739	2.512	43	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{4|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>,2|O<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	121.1550	0.198	2	120.6583	2.379	15	120.9739	2.512	43	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]HN)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|O<1>,1|O<2>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.4335	2.068	2	120.7188	5.164	8	120.9739	2.512	43	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]HN)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|O<1>,1|O<2>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	120.8775	2.803	4	120.7188	5.164	8	120.9739	2.512	43	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]HN)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{1|N<3>,3|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.6865	2.835	2	120.7188	5.164	8	120.9739	2.512	43	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6a]C[6,6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{4|C<3>,4|H<1>}	C[6](C[6,6]C[6,6a]C[6,6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	121.1420	1.260	2	121.1420	1.588	2	120.9739	2.512	43	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a,6a]H)(C[6a]N[6a]O)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a,6a]H)(C[6a]N[6a]O){2|H<1>,6|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|H<1>,1|N<3>,1|O<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	123.2480	0.000	1	123.2480	0.000	1	123.2480	0.000	1	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|Cl<1>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|Cl<1>,1|H<1>,1|N<3>,1|S<2>,2|O<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl){1|C<4>,2|C<3>,3|H<1>}	121.5090	0.000	1	121.5090	0.000	1	121.0948	0.144	4	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HN)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|Cl<1>,1|O<1>,1|O<2>,2|C<3>,2|N<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	120.8410	0.000	1	120.9567	0.102	3	121.0948	0.144	4	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HN)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|Cl<1>,1|O<1>,2|O<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl){1|C<4>,2|C<3>,3|H<1>}	121.0145	0.429	2	120.9567	0.102	3	121.0948	0.144	4	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]F)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HN)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(F)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]F)(C[6a]C[6a]H){1|N<3>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|F<1>,1|H<1>,1|N<3>,1|S<2>,2|O<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(F){1|C<4>,2|C<3>,3|H<1>}	124.8950	0.000	1	124.8950	0.000	1	124.8950	0.000	1	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<2>,1|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<2>,1|C<4>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,2|C<2>,2|C<3>}	122.6955	0.148	2	122.6955	0.022	2	120.9709	2.188	301	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Cl)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|Cl<1>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|Cl<1>,1|H<1>,1|N<3>,1|S<2>,2|O<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Cl)(H){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	121.5130	0.000	1	121.5130	0.000	1	120.9709	2.188	301	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HN)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|Cl<1>,1|O<1>,1|O<2>,2|C<3>,2|N<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	121.6720	0.000	1	121.9667	0.065	3	120.9709	2.188	301	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HN)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|Cl<1>,1|O<1>,2|O<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	122.1140	0.004	2	121.9667	0.065	3	120.9709	2.188	301	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]F)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HN)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]F)(C[6a]C[6a]H){1|N<3>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|F<1>,1|H<1>,1|N<3>,1|S<2>,2|O<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|F<1>,2|C<3>,2|H<1>}	119.2340	0.000	1	119.2340	0.000	1	120.9709	2.188	301	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,2|H<1>,3|C<3>,3|O<2>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	120.9360	0.000	1	120.9360	0.000	1	120.9709	2.188	301	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){2|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|H<1>,1|O<2>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	123.1320	0.000	1	122.8195	0.195	2	120.9709	2.188	301	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){2|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<1>,2|H<1>,2|O<2>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	122.5070	0.000	1	122.8195	0.195	2	120.9709	2.188	301	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<3>,1|O<2>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.4043	0.667	3	120.4043	0.446	3	120.9709	2.188	301	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]O[6]CH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,2|H<1>,2|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]O[6]CH)(H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	119.1430	0.000	1	119.1430	0.000	1	120.9709	2.188	301	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]O[6]HO)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){2|H<1>,3|C<3>,3|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]O[6]HO)(H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	122.6650	0.000	1	122.6650	0.000	1	120.9709	2.188	301	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<2>,4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	121.1337	2.300	4	121.1337	5.289	4	120.9709	2.188	301	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]2)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{4|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]2)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<1>,2|H<1>,2|O<2>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.6070	0.106	2	120.6070	0.011	2	120.9709	2.188	301	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CC)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{3|C<4>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CC)(H){1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.9860	2.472	2	120.9860	6.111	2	120.9709	2.188	301	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CC)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CC)(H){1|O<1>,2|H<1>,2|O<2>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	120.6815	1.049	2	120.8398	0.587	4	120.9709	2.188	301	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CC)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{2|H<1>,3|C<3>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CC)(H){1|C<4>,2|O<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.9980	0.750	2	120.8398	0.587	4	120.9709	2.188	301	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|O<1>,2|H<1>,2|O<2>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.8080	0.731	2	120.8997	1.971	30	120.9709	2.188	301	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|C<4>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|N<2>,1|O<2>,2|H<1>,3|C<3>,3|C<4>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.8285	0.047	2	120.8997	1.971	30	120.9709	2.188	301	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|C<4>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|N<2>,1|O<2>,2|H<1>,3|C<3>,3|C<4>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.4025	0.588	2	120.8997	1.971	30	120.9709	2.188	301	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|C<4>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|N<2>,1|O<2>,2|H<1>,3|C<3>,3|C<4>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	120.5035	0.197	4	120.8997	1.971	30	120.9709	2.188	301	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|C<4>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	121.2270	3.821	2	120.8997	1.971	30	120.9709	2.188	301	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|C<4>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	121.0645	2.088	2	120.8997	1.971	30	120.9709	2.188	301	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|N<3>,4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.8395	2.726	2	120.8997	1.971	30	120.9709	2.188	301	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CH)(H){2|C<4>,2|H<1>,2|O<2>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	121.1143	1.422	6	120.8997	1.971	30	120.9709	2.188	301	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{3|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	121.3480	0.744	2	120.8997	1.971	30	120.9709	2.188	301	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{3|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|O<1>,2|H<1>,2|O<2>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	120.3810	1.028	4	120.8997	1.971	30	120.9709	2.188	301	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{3|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|O<2>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	121.8650	3.298	2	120.8997	1.971	30	120.9709	2.188	301	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|C<4>,1|H<1>,2|O<2>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|C<4>,1|P<4>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	119.9735	0.162	2	120.1765	1.186	6	120.9709	2.188	301	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|O<1>,2|H<1>,2|O<2>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H){1|C<4>,2|C<3>,3|H<1>}	120.2165	1.453	2	120.1765	1.186	6	120.9709	2.188	301	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|H<1>,2|O<2>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CH)(H){3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.3395	1.911	2	120.1765	1.186	6	120.9709	2.188	301	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CN)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|N<3>,3|C<4>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CN)(H){1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.9790	3.439	2	120.9790	11.829	2	120.9709	2.188	301	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CN)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Cl)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|Cl<1>,1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CN)(H){2|H<1>,2|O<2>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Cl)(H){1|C<4>,2|C<3>,3|H<1>}	121.1950	0.000	1	121.1950	0.000	1	120.9709	2.188	301	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CN)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|C<2>,1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CN)(H){3|H<1>,3|O<2>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.8415	2.522	2	120.8974	3.364	9	120.9709	2.188	301	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CN)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CN)(H){1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	121.1358	2.104	4	120.8974	3.364	9	120.9709	2.188	301	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CN)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CN)(H){1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.9365	2.487	2	120.8974	3.364	9	120.9709	2.188	301	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CN)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|Cl<1>,1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CN)(H){2|H<1>,2|O<2>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	119.9780	0.000	1	120.8974	3.364	9	120.9709	2.188	301	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]FF)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{2|F<1>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]FF)(H){1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<2>,1|C<4>,2|C<3>,2|H<1>}	120.4370	0.711	2	120.4370	0.506	2	120.9709	2.188	301	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	121.4545	3.952	2	120.9862	4.729	6	120.9709	2.188	301	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<2>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.7775	1.918	2	120.9862	4.729	6	120.9709	2.188	301	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{2|H<1>,3|C<3>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H){1|C<4>,2|C<3>,3|H<1>}	120.7265	1.920	2	120.9862	4.729	6	120.9709	2.188	301	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Cl)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|Cl<1>,1|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,4|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Cl)(H){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	120.5575	1.966	2	120.7002	1.446	5	120.9709	2.188	301	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Cl)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|Cl<1>,1|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<1>,2|H<1>,3|O<2>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Cl)(H){1|C<4>,2|C<3>,3|H<1>}	121.5150	0.000	1	120.7002	1.446	5	120.9709	2.188	301	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Cl)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|Cl<1>,1|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){5|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Cl)(H){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	119.7030	0.000	1	120.7002	1.446	5	120.9709	2.188	301	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Cl)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|Cl<1>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Cl)(H){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	121.1680	0.000	1	120.7002	1.446	5	120.9709	2.188	301	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>,3|O<2>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	120.9985	2.450	2	121.0409	2.338	107	120.9709	2.188	301	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>,3|O<2>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|F<1>,2|C<3>,2|H<1>}	121.0400	1.792	2	121.0409	2.338	107	120.9709	2.188	301	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>,3|O<2>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	121.3695	2.422	2	121.0409	2.338	107	120.9709	2.188	301	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|O<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	121.0905	1.066	2	121.0409	2.338	107	120.9709	2.188	301	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,4|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	121.4100	0.098	2	121.0409	2.338	107	120.9709	2.188	301	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,4|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	121.2493	2.338	4	121.0409	2.338	107	120.9709	2.188	301	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|F<1>,1|O<2>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	121.0180	3.196	2	121.0409	2.338	107	120.9709	2.188	301	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<3>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	121.2280	0.091	2	121.0409	2.338	107	120.9709	2.188	301	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<3>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.5915	2.768	2	121.0409	2.338	107	120.9709	2.188	301	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<3>,4|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	121.2295	3.969	2	121.0409	2.338	107	120.9709	2.188	301	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<3>,4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	120.6740	0.188	2	121.0409	2.338	107	120.9709	2.188	301	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<3>,4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.9349	0.682	10	121.0409	2.338	107	120.9709	2.188	301	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<1>,2|H<1>,3|O<2>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.9168	2.696	4	121.0409	2.338	107	120.9709	2.188	301	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<1>,2|H<1>,3|O<2>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	120.9578	3.201	4	121.0409	2.338	107	120.9709	2.188	301	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<1>,2|H<1>,3|O<2>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	121.0680	2.684	2	121.0409	2.338	107	120.9709	2.188	301	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<1>,3|C<3>,3|H<1>,3|O<2>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	121.0435	2.317	2	121.0409	2.338	107	120.9709	2.188	301	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<2>,1|S<2>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	121.1700	0.020	2	121.0409	2.338	107	120.9709	2.188	301	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<2>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.6110	0.642	2	121.0409	2.338	107	120.9709	2.188	301	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<2>,4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	121.1865	0.353	2	121.0409	2.338	107	120.9709	2.188	301	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<2>,4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.8731	1.060	8	121.0409	2.338	107	120.9709	2.188	301	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|S<2>,4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	121.2155	0.245	2	121.0409	2.338	107	120.9709	2.188	301	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){2|O<2>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	121.0690	1.045	4	121.0409	2.338	107	120.9709	2.188	301	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){2|O<2>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	121.3765	3.225	2	121.0409	2.338	107	120.9709	2.188	301	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){5|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	121.0910	2.778	2	121.0409	2.338	107	120.9709	2.188	301	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|Cl<1>,1|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,4|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	120.9280	2.053	2	121.0409	2.338	107	120.9709	2.188	301	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|Cl<1>,1|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<1>,2|H<1>,3|O<2>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	119.7720	0.000	1	121.0409	2.338	107	120.9709	2.188	301	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|Cl<1>,1|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){5|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	121.3700	0.000	1	121.0409	2.338	107	120.9709	2.188	301	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|Cl<1>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	120.7700	0.000	1	121.0409	2.338	107	120.9709	2.188	301	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{4|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	121.3530	1.386	2	121.0409	2.338	107	120.9709	2.188	301	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{4|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|Cl<1>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	121.3425	1.203	2	121.0409	2.338	107	120.9709	2.188	301	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{4|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	121.3735	1.561	2	121.0409	2.338	107	120.9709	2.188	301	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{4|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<3>,1|O<2>,2|H<1>,2|O<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.9050	2.138	2	121.0409	2.338	107	120.9709	2.188	301	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{4|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.9250	1.212	2	121.0409	2.338	107	120.9709	2.188	301	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{4|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	121.2595	2.859	2	121.0409	2.338	107	120.9709	2.188	301	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{4|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	120.6310	1.830	2	121.0409	2.338	107	120.9709	2.188	301	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{4|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<1>,2|H<1>,2|O<2>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	121.2415	1.723	2	121.0409	2.338	107	120.9709	2.188	301	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{4|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<2>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.8980	2.766	2	121.0409	2.338	107	120.9709	2.188	301	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{4|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<2>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	121.2993	1.452	6	121.0409	2.338	107	120.9709	2.188	301	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{4|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<2>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	120.8320	1.356	2	121.0409	2.338	107	120.9709	2.188	301	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{4|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|F<1>,2|C<3>,2|H<1>}	120.9590	2.386	4	121.0409	2.338	107	120.9709	2.188	301	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{4|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	121.2610	2.893	2	121.0409	2.338	107	120.9709	2.188	301	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HN)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|N<2>,1|O<1>,2|N<3>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.5825	2.624	2	120.8489	2.342	12	120.9709	2.188	301	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HN)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|N<3>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.8750	1.788	2	120.8489	2.342	12	120.9709	2.188	301	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HN)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|N<3>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|O<1>,2|H<1>,2|O<2>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.9090	1.488	8	120.8489	2.342	12	120.9709	2.188	301	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HO)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|O<2>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HO)(H){1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	120.9330	0.843	2	120.9330	0.710	2	120.9709	2.188	301	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HS)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|C<4>,1|S<2>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HS)(H){1|N<3>,1|O<2>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.7010	1.503	4	120.9266	1.319	20	120.9709	2.188	301	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HS)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|C<4>,1|S<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HS)(H){1|C<4>,4|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.8035	0.798	4	120.9266	1.319	20	120.9709	2.188	301	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HS)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|C<4>,1|S<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HS)(H){1|C<4>,4|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	121.0700	0.359	2	120.9266	1.319	20	120.9709	2.188	301	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HS)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|C<4>,1|S<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HS)(H){1|C<4>,4|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	120.9120	0.768	4	120.9266	1.319	20	120.9709	2.188	301	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HS)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|C<4>,1|S<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HS)(H){5|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	121.0097	1.664	4	120.9266	1.319	20	120.9709	2.188	301	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HS)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|C<4>,1|S<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HS)(H){5|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	121.3440	2.343	2	120.9266	1.319	20	120.9709	2.188	301	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]CH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]CH)(H){1|C<4>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	121.2265	2.045	6	121.1336	2.723	12	120.9709	2.188	301	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]CH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]CH)(H){1|S<4>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.6710	0.390	2	121.1336	2.723	12	120.9709	2.188	301	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]CH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]CH)(H){2|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	121.2255	1.672	4	121.1336	2.723	12	120.9709	2.188	301	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]HH)(H){1|C<4>,1|S<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.9910	0.863	4	120.6871	2.066	10	120.9709	2.188	301	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]HH)(H){1|S<4>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.2963	1.671	4	120.6871	2.066	10	120.9709	2.188	301	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]HH)(H){4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.8610	2.636	2	120.6871	2.066	10	120.9709	2.188	301	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]O[6]CH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]O[6]CH)(H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	121.1170	1.527	2	121.0434	1.443	7	120.9709	2.188	301	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]O[6]CH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]O[6]CH)(H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	121.5350	1.063	2	121.0434	1.443	7	120.9709	2.188	301	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]O[6]CH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,2|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]O[6]CH)(H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.2890	0.000	1	121.0434	1.443	7	120.9709	2.188	301	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]O[6]CH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|O<2>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]O[6]CH)(H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.8555	2.015	2	121.0434	1.443	7	120.9709	2.188	301	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]O[6]CH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,2|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]O[6]CH)(H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H){1|C<4>,2|C<3>,3|H<1>}	121.6700	0.000	1	121.6700	0.000	1	120.9709	2.188	301	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]O[6]HO)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{2|O<2>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]O[6]HO)(H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	121.3700	1.351	2	121.0807	0.767	4	120.9709	2.188	301	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]O[6]HO)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{2|O<2>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]O[6]HO)(H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.7915	0.375	2	121.0807	0.767	4	120.9709	2.188	301	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]S[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|S<4>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]S[6]HH)(H){1|O<2>,2|O<1>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.5312	0.792	4	120.5599	2.167	8	120.9709	2.188	301	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]S[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|S<4>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]S[6]HH)(H){1|O<2>,2|O<1>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	120.5885	2.104	4	120.5599	2.167	8	120.9709	2.188	301	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]O[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]O[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){2|H<1>,2|O<2>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.7270	2.244	2	120.7270	5.037	2	120.9709	2.188	301	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|O<2>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	121.6520	0.000	1	121.6647	3.538	3	120.9709	2.188	301	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{4|C<3>,4|H<1>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	121.6710	2.660	2	121.6647	3.538	3	120.9709	2.188	301	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|O<2>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	119.3150	0.000	1	119.3150	0.000	1	120.9709	2.188	301	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]HO)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]HO)(H){1|O<2>,4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	121.1475	2.116	2	121.1475	4.479	2	120.9709	2.188	301	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]HP)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|P<4>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]HP)(H){1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	121.3230	1.913	2	121.3230	3.661	2	120.9709	2.188	301	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]HS)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|C<4>,1|S<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]HS)(H){1|C<4>,4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|F<1>,2|C<3>,2|H<1>}	120.7210	3.454	2	120.9772	3.381	18	120.9709	2.188	301	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]HS)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|C<4>,1|S<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]HS)(H){1|C<4>,4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.8565	1.458	12	120.9772	3.381	18	120.9709	2.188	301	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]HS)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|C<4>,1|S<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]HS)(H){4|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	121.4675	2.641	4	120.9772	3.381	18	120.9709	2.188	301	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]N[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]N[6]HH)(H){2|H<1>,7|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.7210	2.797	2	120.7210	7.825	2	120.9709	2.188	301	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:N[6a]-3:O-1:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a,6a]H)(C[6a]N[6a]O)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a,6a]H)(O)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a,6a]H)(C[6a]N[6a]O){2|H<1>,6|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|H<1>,1|N<3>,1|O<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a,6a]H)(O){1|C<4>,2|H<1>,3|C<3>}	116.4510	0.000	1	116.4510	0.000	1	116.4510	0.000	1	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]HH)(H){1|C<4>,4|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<4>,2|C<3>,3|H<1>}	120.8978	0.815	4	120.4520	1.188	6	120.4520	1.188	6	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]HH)(H){1|N<3>,4|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<4>,2|C<3>,3|H<1>}	119.5605	1.249	2	120.4520	1.188	6	120.4520	1.188	6	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:N[6]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(N[6]C[5,6]C)(C[6]C[6]CH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(N[6]C[5,6]C)(C[6]C[6]CH)(H){1|N<3>,1|S<2>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	121.1390	1.885	2	121.1390	3.554	2	120.8056	3.303	14	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:N[6]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(N[6]C[5,6]H)(C[6]C[6]CH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(N[6]C[5,6]H)(C[6]C[6]CH)(H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.8415	2.604	2	120.8415	6.782	2	120.8056	3.303	14	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:N[6]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(N[6]C[6,6]C)(C[6]C[6]CC)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{2|H<1>,3|C<3>,3|C<4>}	C[6](C[6a]C[6a]2)(N[6]C[6,6]C)(C[6]C[6]CC)(H){2|C<3>,2|C<4>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	121.0590	4.528	2	121.0590	20.506	2	120.8056	3.303	14	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:N[6]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(N[6]C[6,6]H)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,5|H<1>}	C[6](C[6a]C[6a]2)(N[6]C[6,6]H)(C[6]C[6]HH)(H){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|F<1>,1|N<3>,2|H<1>}	120.6170	0.703	4	120.6170	0.494	4	120.8056	3.303	14	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:N[6]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(N[6]C[6,6]H)(C[6]C[6]HN)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(N[6]C[6,6]H)(C[6]C[6]HN)(H){1|N<3>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	122.5380	0.000	1	122.5380	0.000	1	120.8056	3.303	14	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:N[6]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(N[6]C[6,6]H)(C[6]C[6]HN)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(N[6]C[6,6]H)(C[6]C[6]HN)(H){1|N<3>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	118.4180	0.000	1	118.4180	0.000	1	120.8056	3.303	14	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:N[6]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(N[6]C[6,6]O)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6a]C[6a]2)(N[6]C[6,6]O)(C[6]C[6]HH)(H){2|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.8875	1.184	2	120.8875	1.403	2	120.8056	3.303	14	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[4,6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]N[4,6]C[6]H)(C[6a]C[6a]H)2	C[6](N[4,6]C[4,6]C[4])(C[6a]C[6a]2)(C[6]O[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]N[4,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6](N[4,6]C[4,6]C[4])(C[6a]C[6a]2)(C[6]O[6]HH)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	120.8418	1.094	6	120.6749	1.067	8	120.6749	1.067	8	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[4,6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]N[4,6]C[6]H)(C[6a]C[6a]H)2	C[6](N[4,6]C[4,6]C[4])(C[6a]C[6a]2)(C[6]O[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]N[4,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6](N[4,6]C[4,6]C[4])(C[6a]C[6a]2)(C[6]O[6]HH)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.1740	0.899	2	120.6749	1.067	8	120.6749	1.067	8	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[5,6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]H)2	C[6](N[5,6]C[5,6,6a]C[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	C[6](N[5,6]C[5,6,6a]C[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|Ir<6>,1|N<3>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.8420	2.720	4	120.8420	7.398	4	120.7099	3.222	62	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[5,6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]H)2	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]CC)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]H)2{2|C<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]CC)(H){1|C<4>,1|N<3>,4|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.7405	3.392	2	120.7405	11.506	2	120.7099	3.222	62	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[5,6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]H)2	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Cl)(H)	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]H)2{1|Cl<1>,2|C<4>,2|H<1>,3|C<3>}	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|C<4>,1|N<3>,4|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Cl)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	118.9470	0.000	1	118.9470	0.000	1	120.7099	3.222	62	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[5,6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]H)2	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]H)2{1|Cl<1>,2|C<4>,2|H<1>,3|C<3>}	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|C<4>,1|N<3>,4|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	122.3450	0.000	1	122.3450	0.000	1	120.7099	3.222	62	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[5,6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]H)2	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	121.5340	0.436	2	121.5340	0.190	2	120.7099	3.222	62	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[5,6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]H)2	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]O[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]O[6]HH)(H){3|C<3>,3|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.4975	0.278	2	120.7313	3.958	6	120.7099	3.222	62	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[5,6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]H)2	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]O[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]H)2{1|O<2>,3|C<3>,4|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]O[6]HH)(H){1|C<4>,1|N<2>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.8483	2.553	4	120.7313	3.958	6	120.7099	3.222	62	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[5,6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]H)2	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]S[6]CH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]H)2{1|S<4>,2|C<3>,2|C<4>,3|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]S[6]CH)(H){2|C<3>,2|O<1>,3|C<4>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	120.9260	0.163	2	120.8005	0.087	6	120.7099	3.222	62	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[5,6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]H)2	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]S[6]CH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]H)2{1|S<4>,2|C<3>,2|C<4>,3|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]S[6]CH)(H){2|C<3>,2|O<1>,3|C<4>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	120.7378	0.347	4	120.8005	0.087	6	120.7099	3.222	62	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[5,6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]H)2	C[6](N[5,6]C[5,6]N[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|C<3>,4|H<1>}	C[6](N[5,6]C[5,6]N[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,2|N<3>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.4800	4.165	2	120.3533	5.358	6	120.7099	3.222	62	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[5,6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]H)2	C[6](N[5,6]C[5,6]N[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|C<3>,4|H<1>}	C[6](N[5,6]C[5,6]N[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<2>,1|N<3>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.2900	1.770	4	120.3533	5.358	6	120.7099	3.222	62	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[5,6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]H)2	C[6](N[5,6]C[5,6]O[5])(C[6a]C[6a]2)(C[6]O[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,2|O<2>,4|H<1>}	C[6](N[5,6]C[5,6]O[5])(C[6a]C[6a]2)(C[6]O[6]HH)(H){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.3450	4.572	2	120.3450	20.905	2	120.7099	3.222	62	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[5,6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]H)2	C[6](N[5,6]C[5,6]S[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H)	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]H)2{1|S<4>,2|C<3>,2|C<4>,3|H<1>}	C[6](N[5,6]C[5,6]S[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H){2|C<4>,2|H<1>,3|O<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	121.4830	0.000	1	121.4830	0.000	1	120.7099	3.222	62	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[5,6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]H)2	C[6](N[5,6]C[5,6]S[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]H)2{1|S<4>,2|C<3>,2|C<4>,3|H<1>}	C[6](N[5,6]C[5,6]S[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H){2|C<4>,2|H<1>,3|O<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	118.9120	0.000	1	118.9120	0.000	1	120.7099	3.222	62	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[5,6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]H)2	C[6](N[5,6]C[5,6a]C[5,6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	C[6](N[5,6]C[5,6a]C[5,6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	120.9585	3.184	2	120.9585	10.139	2	120.7099	3.222	62	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[5,6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]H)2	C[6](N[5,6]C[5,6a]O[5,6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6](N[5,6]C[5,6a]O[5,6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.8860	2.472	10	120.8860	6.112	10	120.7099	3.222	62	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[5,6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]H)2	C[6](N[5,6]N[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6](N[5,6]N[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|C<4>,4|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|N<3>}	120.1780	0.072	2	120.1780	0.005	2	120.7099	3.222	62	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[5,6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]H)2	C[6](N[5,6]N[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6](N[5,6]N[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	120.6025	0.037	2	120.6108	1.421	10	120.7099	3.222	62	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[5,6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]H)2	C[6](N[5,6]N[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6](N[5,6]N[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	120.6025	0.984	2	120.6108	1.421	10	120.7099	3.222	62	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[5,6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]H)2	C[6](N[5,6]N[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6](N[5,6]N[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.5817	1.941	4	120.6108	1.421	10	120.7099	3.222	62	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[5,6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]H)2	C[6](N[5,6]N[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6](N[5,6]N[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H){3|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.6855	0.712	2	120.6108	1.421	10	120.7099	3.222	62	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[5,6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]H)2	C[6](N[5,6]N[5,6]C[5])(C[6a]C[6a]2)(C[6]N[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,2|N<3>,4|H<1>}	C[6](N[5,6]N[5,6]C[5])(C[6a]C[6a]2)(C[6]N[6]HH)(H){2|C<3>,4|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	121.2725	1.152	2	121.2725	1.327	2	120.7099	3.222	62	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[5,6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]H)2	C[6](N[5,6]Si[5,6]N[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]H)2{1|Si<4>,1|C<3>,1|C<4>,1|N<2>,4|H<1>}	C[6](N[5,6]Si[5,6]N[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,2|O<2>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.6552	0.736	4	120.6552	0.541	4	120.7099	3.222	62	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6]N[5a,6]C[6]H)(C[6a]C[6a]F)(C[6a]C[6a]H)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]HO)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(F)	C[6a](C[6]N[5a,6]C[6]H)(C[6a]C[6a]F)(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]HO)(H){1|F<1>,1|N<2>,1|S<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(F){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	119.8435	0.893	2	119.8435	0.798	2	119.8435	0.798	2	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]N[5a,6]C[6]H)(C[6a]C[6a]F)(C[6a]C[6a]H)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]HO)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Br)(H)	C[6a](C[6]N[5a,6]C[6]H)(C[6a]C[6a]F)(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]HO)(H){1|F<1>,1|N<2>,1|S<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Br)(H){1|C<3>,1|C<4>,1|F<1>,1|N<3>,2|H<1>}	123.2270	0.154	2	123.2270	0.024	2	121.2840	3.229	10	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]N[5a,6]C[6]H)(C[6a]C[6a]H)2	C[6](N[5a,6]C[5a,6,6]C[5a])(C[6a]C[6a]2)(C[6]N[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]N[5a,6]C[6]H)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,4|H<1>}	C[6](N[5a,6]C[5a,6,6]C[5a])(C[6a]C[6a]2)(C[6]N[6]HH)(H){2|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.4925	1.722	2	120.4925	2.965	2	121.2840	3.229	10	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]N[5a,6]C[6]H)(C[6a]C[6a]H)2	C[6](N[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]N[5a,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|C<3>,4|H<1>}	C[6](N[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<3>,2|N<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	121.3605	2.532	2	121.3605	6.412	2	121.2840	3.229	10	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]N[5a,6]C[6]H)(C[6a]C[6a]H)2	C[6](N[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(C[6]O[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]N[5a,6]C[6]H)(C[6a]C[6a]H)2{1|N<2>,1|O<2>,2|C<3>,4|H<1>}	C[6](N[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(C[6]O[6]HH)(H){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.7185	1.203	2	120.7185	1.447	2	121.2840	3.229	10	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]N[5a,6]C[6]H)(C[6a]C[6a]H)2	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]N[5a,6]C[6]H)(C[6a]C[6a]H)2{4|C<3>,4|H<1>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<2>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.6215	2.808	2	120.6215	7.884	2	121.2840	3.229	10	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[6,6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]N[6,6]C[6]H)(C[6a]C[6a]H)2	C[6](N[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]N[6,6]C[6]H)(C[6a]C[6a]H)2{2|C<3>,3|C<4>,3|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|O<1>,2|C<4>,3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	121.9050	0.383	2	121.9050	0.147	2	120.7867	3.812	14	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[6,6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]N[6,6]C[6]H)(C[6a]C[6a]H)2	C[6](N[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]N[6,6]C[6]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<1>,2|C<4>,3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	120.2225	0.960	2	120.2225	0.921	2	120.7867	3.812	14	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[6,6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]N[6,6]C[6]H)(C[6a]C[6a]H)2	C[6](N[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]HN)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]N[6,6]C[6]H)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,3|C<4>,3|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|O<2>,2|C<3>,4|H<1>,5|C<4>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.6020	0.617	4	120.6020	0.381	4	120.7867	3.812	14	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[6,6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]N[6,6]C[6]H)(C[6a]C[6a]H)2	C[6](N[6,6]C[6,6a]C[6,6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]N[6,6]C[6]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	C[6](N[6,6]C[6,6a]C[6,6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|Cl<1>,1|C<4>,4|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.7252	2.968	6	120.7252	8.809	6	120.7867	3.812	14	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:Br-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Br)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]Br)(C[6a]C[6a]H){1|C<4>,2|C<3>,5|H<1>}	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|Br<1>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Br){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	123.1310	0.140	2	123.1310	0.020	2	123.1310	0.020	2	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6](N[6]C[5a,6]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	C[6](N[6]C[5a,6]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|Cl<1>,1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	121.1100	0.000	1	121.1100	0.000	1	121.3680	0.223	3	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]S[6]CH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|S<2>,3|C<3>,4|H<1>}	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]S[6]CH)(H){1|Cl<1>,1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	121.9130	0.000	1	121.9130	0.000	1	121.3680	0.223	3	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|Cl<1>,1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	121.0810	0.000	1	121.0810	0.000	1	121.3680	0.223	3	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]Br)(C[6a]C[6a]H){1|C<4>,2|C<3>,5|H<1>}	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|Br<1>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	120.3670	0.170	2	120.3670	0.029	2	120.7129	3.770	222	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]N[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]N[6]HH)(H){1|N<2>,3|C<3>,3|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	116.1420	0.000	1	115.9510	0.076	5	120.7129	3.770	222	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]N[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,1|N<4>,2|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]N[6]HH)(H){1|N<2>,3|C<3>,3|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	115.8500	0.335	3	115.9510	0.076	5	120.7129	3.770	222	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]N[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,1|N<4>,2|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]N[6]HH)(H){3|C<4>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	116.0630	0.000	1	115.9510	0.076	5	120.7129	3.770	222	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6](N[6]C[5a,6]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	C[6](N[6]C[5a,6]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|Cl<1>,1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	121.2150	0.000	1	121.2150	0.000	1	120.7129	3.770	222	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]S[6]CH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|S<2>,3|C<3>,4|H<1>}	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]S[6]CH)(H){1|Cl<1>,1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	121.6610	0.000	1	121.6610	0.000	1	120.7129	3.770	222	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|Cl<1>,1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	122.0190	0.000	1	122.0190	0.000	1	120.7129	3.770	222	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,2|C<3>,5|H<1>}	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){2|H<1>,2|N<3>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|N<3>}	117.8040	0.000	1	117.8040	0.000	1	120.7129	3.770	222	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){2|C<3>,2|C<4>,4|H<1>}	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<2>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	119.1890	0.000	1	119.1890	0.000	1	120.7129	3.770	222	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){3|C<3>,5|H<1>}	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	122.2500	0.000	1	122.2500	0.000	1	120.7129	3.770	222	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<2>,3|C<3>,4|H<1>}	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|O<2>}	122.3980	0.000	1	122.3980	0.000	1	120.7129	3.770	222	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,3|H<1>,4|C<3>}	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|N<3>,1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	119.7320	0.000	1	119.7320	0.000	1	120.7129	3.770	222	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]N[6a]H){1|C<4>,2|C<3>,4|H<1>}	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|N<2>,1|N<3>,3|H<1>}	123.7710	0.000	1	123.7710	0.000	1	120.7129	3.770	222	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](N[6]C[5,6]C[6a])(C[6a]C[6a]2)(C[6]C[6]HO)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|O<2>,3|H<1>,4|C<3>}	C[6](N[6]C[5,6]C[6a])(C[6a]C[6a]2)(C[6]C[6]HO)(H){2|H<1>,7|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	120.9520	3.038	2	120.9520	9.228	2	120.7129	3.770	222	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](N[6]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]CO)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6](N[6]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]CO)(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|O<1>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.8673	2.379	6	120.8673	5.661	6	120.7129	3.770	222	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](N[6]C[5a,6]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	C[6](N[6]C[5a,6]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|C<4>,1|N<2>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	121.0295	1.204	2	120.6838	2.552	8	120.7129	3.770	222	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](N[6]C[5a,6]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	C[6](N[6]C[5a,6]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|N<3>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.7845	3.023	2	120.6838	2.552	8	120.7129	3.770	222	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](N[6]C[5a,6]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	C[6](N[6]C[5a,6]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|N<2>,1|N<3>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.4605	1.507	4	120.6838	2.552	8	120.7129	3.770	222	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](N[6]C[5a,6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|I<1>,2|C<3>,4|H<1>}	C[6](N[6]C[5a,6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<2>,1|N<3>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.0280	0.000	1	120.6454	0.761	5	120.7129	3.770	222	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](N[6]C[5a,6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,5|H<1>}	C[6](N[6]C[5a,6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<3>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.8380	0.922	2	120.6454	0.761	5	120.7129	3.770	222	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](N[6]C[5a,6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{3|C<3>,5|H<1>}	C[6](N[6]C[5a,6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<2>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	120.7615	1.309	2	120.6454	0.761	5	120.7129	3.770	222	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](N[6]C[5a,6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]I)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|I<1>,2|C<3>,4|H<1>}	C[6](N[6]C[5a,6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<2>,1|N<3>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]I)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.8000	0.000	1	120.8000	0.000	1	120.7129	3.770	222	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]CC)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,4|C<3>}	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]CC)(H){4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.5055	2.103	6	120.5055	4.422	6	120.7129	3.770	222	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Br)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|Br<1>,1|C<4>,2|H<1>,4|C<3>}	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Br)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	119.0660	0.000	1	119.0660	0.000	1	120.7129	3.770	222	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|Br<1>,1|C<4>,2|H<1>,4|C<3>}	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	122.6840	0.000	1	121.4260	5.418	5	120.7129	3.770	222	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,3|H<1>,4|C<3>}	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]CH)(H){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	121.6150	2.087	2	121.4260	5.418	5	120.7129	3.770	222	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.6080	3.784	2	121.4260	5.418	5	120.7129	3.770	222	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]CN)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]CN)(H){4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.7270	1.218	2	120.7270	1.483	2	120.7129	3.770	222	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.5880	0.752	2	120.8770	2.683	12	120.7129	3.770	222	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.9350	2.095	4	120.8770	2.683	12	120.7129	3.770	222	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]HH)(H){2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	121.0960	2.980	2	120.8770	2.683	12	120.7129	3.770	222	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]HH)(H){2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	120.9620	1.718	2	120.8770	2.683	12	120.7129	3.770	222	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{4|C<3>,4|H<1>}	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|N<3>}	120.7460	1.904	2	120.8770	2.683	12	120.7129	3.770	222	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]O[6]HO)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,2|O<2>,3|H<1>}	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]O[6]HO)(H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.7848	2.059	4	120.7848	4.238	4	120.7129	3.770	222	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]S[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|S<2>,3|C<3>,4|H<1>}	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]S[6]HH)(H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	121.3205	0.230	2	121.3205	0.053	2	120.7129	3.770	222	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|N<3>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.7050	0.810	2	120.7806	0.796	8	120.7129	3.770	222	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H){4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	121.2575	1.357	2	120.7806	0.796	8	120.7129	3.770	222	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H){3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.5400	1.560	2	120.7806	0.796	8	120.7129	3.770	222	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{4|C<3>,4|H<1>}	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	120.6200	0.074	2	120.7806	0.796	8	120.7129	3.770	222	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]FF)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,2|F<1>,3|H<1>}	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]FF)(H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.5290	1.826	2	120.5290	3.333	2	120.7129	3.770	222	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]F)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|F<1>,3|C<3>,4|H<1>}	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]F)(H){1|C<3>,1|C<4>,1|F<1>,1|N<3>,2|H<1>}	121.6840	0.000	1	121.6840	0.000	1	120.7129	3.770	222	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	119.8275	2.145	2	120.7255	1.459	35	120.7129	3.770	222	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,5|H<1>}	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|N<3>}	120.5668	0.129	6	120.7255	1.459	35	120.7129	3.770	222	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,5|H<1>}	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<3>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|N<3>}	120.9942	2.461	6	120.7255	1.459	35	120.7129	3.770	222	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,5|H<1>}	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<3>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	120.8715	1.518	2	120.7255	1.459	35	120.7129	3.770	222	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,5|H<1>}	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	120.5640	0.328	2	120.7255	1.459	35	120.7129	3.770	222	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,5|H<1>}	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|S<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.4565	1.316	2	120.7255	1.459	35	120.7129	3.770	222	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,5|H<1>}	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	120.8435	0.517	2	120.7255	1.459	35	120.7129	3.770	222	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,5|H<1>}	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	120.9515	0.110	2	120.7255	1.459	35	120.7129	3.770	222	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,5|H<1>}	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	121.0690	0.567	2	120.7255	1.459	35	120.7129	3.770	222	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,5|H<1>}	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	121.0730	0.577	2	120.7255	1.459	35	120.7129	3.770	222	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|F<1>,3|C<3>,4|H<1>}	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|F<1>,1|N<3>,2|H<1>}	120.2530	0.000	1	120.7255	1.459	35	120.7129	3.770	222	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{3|C<3>,5|H<1>}	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	120.6620	1.990	2	120.7255	1.459	35	120.7129	3.770	222	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{3|C<3>,5|H<1>}	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	120.9410	1.215	2	120.7255	1.459	35	120.7129	3.770	222	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{3|C<3>,5|H<1>}	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	120.6270	0.874	2	120.7255	1.459	35	120.7129	3.770	222	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]N)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	121.5860	1.838	2	121.5860	3.380	2	120.7129	3.770	222	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HN)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|N<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	120.7255	1.777	2	120.8980	1.671	4	120.7129	3.770	222	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HN)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HN)(H){4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	121.0705	1.317	2	120.8980	1.671	4	120.7129	3.770	222	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HS)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|S<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HS)(H){4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	118.5890	0.000	1	118.5890	0.000	1	120.7129	3.770	222	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HS)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|S<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HS)(H){4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	122.8090	0.000	1	122.8090	0.000	1	120.7129	3.770	222	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]O[6]CH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,2|O<2>,3|H<1>}	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]O[6]CH)(H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	121.8075	0.312	2	120.9908	2.212	8	120.7129	3.770	222	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]O[6]CH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|O<2>,3|C<3>,4|H<1>}	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]O[6]CH)(H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.6750	1.003	2	120.9908	2.212	8	120.7129	3.770	222	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]O[6]CH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|O<2>,3|C<3>,4|H<1>}	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]O[6]CH)(H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	120.7865	2.651	2	120.9908	2.212	8	120.7129	3.770	222	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]O[6]CH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|O<2>,3|C<3>,4|H<1>}	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]O[6]CH)(H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	120.6940	2.357	2	120.9908	2.212	8	120.7129	3.770	222	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]O[6]CH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,2|O<2>,3|H<1>}	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]O[6]CH)(H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	119.8680	0.663	2	119.8680	0.440	2	120.7129	3.770	222	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]S[6]CH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|S<2>,3|C<3>,4|H<1>}	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]S[6]CH)(H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	121.2185	0.209	2	121.2185	0.044	2	120.7129	3.770	222	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](N[6]C[6,6a]S)(C[6a]C[6a]2)(C[6]C[6]CC)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|S<4>,2|C<2>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a]S)(C[6a]C[6a]2)(C[6]C[6]CC)(H){3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.2930	1.639	2	120.2930	2.687	2	120.7129	3.770	222	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](N[6]C[6,6a]S)(C[6a]C[6a]2)(C[6]C[6]CF)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|F<1>,1|S<4>,2|H<1>,3|C<3>}	C[6](N[6]C[6,6a]S)(C[6a]C[6a]2)(C[6]C[6]CF)(H){1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.7880	2.394	2	120.8080	8.297	4	120.7129	3.770	222	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](N[6]C[6,6a]S)(C[6a]C[6a]2)(C[6]C[6]CF)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|F<1>,1|S<4>,2|H<1>,4|C<3>}	C[6](N[6]C[6,6a]S)(C[6a]C[6a]2)(C[6]C[6]CF)(H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.8280	4.377	2	120.8080	8.297	4	120.7129	3.770	222	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](N[6]C[6,6a]S)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|S<4>,2|C<3>,4|H<1>}	C[6](N[6]C[6,6a]S)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<2>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.6595	2.702	2	120.6595	7.300	2	120.7129	3.770	222	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,3|H<1>,4|C<3>}	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.4665	1.685	2	120.6653	4.913	18	120.7129	3.770	222	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,3|H<1>,4|C<3>}	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	120.8885	2.610	2	120.6653	4.913	18	120.7129	3.770	222	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,3|H<1>,4|C<3>}	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|O<1>,2|H<1>,3|C<4>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.2245	1.347	2	120.6653	4.913	18	120.7129	3.770	222	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{2|C<3>,3|C<4>,3|H<1>}	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|C<4>,1|N<3>,4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.8455	2.154	8	120.6653	4.913	18	120.7129	3.770	222	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{3|H<1>,5|C<3>}	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|O<1>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|N<3>}	120.5130	3.590	4	120.6653	4.913	18	120.7129	3.770	222	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<3>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|F<1>,1|N<3>,2|H<1>}	120.8020	1.725	4	121.0992	4.635	32	120.7129	3.770	222	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<3>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.8365	1.463	4	121.0992	4.635	32	120.7129	3.770	222	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<3>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|N<3>}	120.8400	1.446	4	121.0992	4.635	32	120.7129	3.770	222	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<3>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	121.1660	3.551	2	121.0992	4.635	32	120.7129	3.770	222	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<3>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	121.0208	1.789	6	121.0992	4.635	32	120.7129	3.770	222	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	121.5310	2.803	8	121.0992	4.635	32	120.7129	3.770	222	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{4|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<2>,1|S<2>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	121.0195	2.259	2	121.0992	4.635	32	120.7129	3.770	222	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{4|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<1>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	121.2590	5.558	2	121.0992	4.635	32	120.7129	3.770	222	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]N[6]CH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|N<3>,3|H<1>,4|C<3>}	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]N[6]CH)(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|F<1>,1|N<3>,2|H<1>}	120.5400	2.905	2	121.2367	5.675	3	120.7129	3.770	222	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]N[6]CH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|N<4>,1|O<2>,2|H<1>,4|C<3>}	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]N[6]CH)(H){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	122.6300	0.000	1	121.2367	5.675	3	120.7129	3.770	222	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]N[6]CH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|N<4>,1|O<2>,2|H<1>,4|C<3>}	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]N[6]CH)(H){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	118.1820	0.000	1	118.1820	0.000	1	120.7129	3.770	222	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]N[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]N[6]HH)(H){1|S<4>,4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.6675	2.799	2	120.6710	5.440	4	120.7129	3.770	222	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]N[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<4>,2|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]N[6]HH)(H){1|N<2>,2|C<4>,3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.6745	2.913	2	120.6710	5.440	4	120.7129	3.770	222	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]O[6]CH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]O[6]CH)(H){1|C<4>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.6415	2.937	2	120.6415	8.624	2	120.7129	3.770	222	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](N[6]C[6a]N[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<2>,1|O<2>,2|C<3>,3|H<1>}	C[6](N[6]C[6a]N[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	121.9760	0.000	1	120.9280	5.127	5	120.7129	3.770	222	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](N[6]C[6a]N[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|C<3>,4|H<1>}	C[6](N[6]C[6a]N[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){2|H<1>,7|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.6660	2.525	4	120.9280	5.127	5	120.7129	3.770	222	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](N[6]C[6a]N[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<2>,1|O<2>,2|C<3>,3|H<1>}	C[6](N[6]C[6a]N[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	119.5640	0.000	1	119.5640	0.000	1	120.7129	3.770	222	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](N[6]C[6a]N[6])(C[6a]C[6a]2)(C[6]N[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|C<3>,4|H<1>}	C[6](N[6]C[6a]N[6])(C[6a]C[6a]2)(C[6]N[6]HH)(H){1|S<4>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.3895	1.616	2	120.3895	2.611	2	120.7129	3.770	222	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](N[6]C[6a]O[6])(C[6a]C[6a]2)(C[6]C[6]CC)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6](N[6]C[6a]O[6])(C[6a]C[6a]2)(C[6]C[6]CC)(H){1|C<4>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	121.2980	5.020	2	121.2980	25.205	2	120.7129	3.770	222	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](N[6]C[6a]O[6])(C[6a]C[6a]2)(C[6]C[6]CN)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[6](N[6]C[6a]O[6])(C[6a]C[6a]2)(C[6]C[6]CN)(H){1|C<4>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.8113	3.748	4	120.7575	12.560	6	120.7129	3.770	222	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](N[6]C[6a]O[6])(C[6a]C[6a]2)(C[6]C[6]CN)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[6](N[6]C[6a]O[6])(C[6a]C[6a]2)(C[6]C[6]CN)(H){1|C<4>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	120.6500	4.542	2	120.7575	12.560	6	120.7129	3.770	222	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](N[6]C[6a]O[6])(C[6a]C[6a]2)(C[6]C[6]HN)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|O<2>,2|C<3>,3|H<1>}	C[6](N[6]C[6a]O[6])(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|C<4>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.6210	3.964	2	120.6210	15.714	2	120.7129	3.770	222	120.8606	2.619	844	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:2:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6](C[5a,6]C[5a,6]S[5a])(C[6a]C[6a]2)(C[6]C[6]CC)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Br)(OH)	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){2|Br<1>,1|S<2>,2|C<4>,3|C<3>}	C[6](C[5a,6]C[5a,6]S[5a])(C[6a]C[6a]2)(C[6]C[6]CC)(H){1|N<3>,1|O<2>,1|S<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Br)(OH){1|C<4>,2|C<3>,3|H<1>}	119.1160	0.000	1	119.1160	0.000	1	119.1160	0.000	1	120.5037	4.523	23	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:2:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[6a]-3:N[6]-4:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6]C[5a,6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(OH)	C[6a](C[6]C[5a,6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]HH)(H){1|C<4>,1|N<3>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(OH){1|N<4>,2|C<3>,3|H<1>}	118.7690	0.000	1	118.7690	0.000	1	118.7690	0.000	1	120.5037	4.523	23	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(OC)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<2>,2|H<1>,5|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|O<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(OC){1|C<4>,2|C<3>,3|H<1>}	118.0420	0.000	1	118.0420	0.000	1	120.3155	10.338	2	120.5037	4.523	23	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]HN)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<3>,3|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|H<1>,2|C<3>,2|C<4>,2|O<1>,2|O<2>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|C<4>,2|C<3>,3|H<1>}	122.5890	0.000	1	122.5890	0.000	1	120.3155	10.338	2	120.5037	4.523	23	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:O-2:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6,6a]O)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C[6])(OH)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6,6a]O)(C[6a]C[6a]O){2|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|H<1>,4|O<2>,5|C<3>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C[6])(OH){1|H<1>,1|O<1>,2|C<3>,2|C<4>,2|O<2>}	116.7660	0.000	1	116.7660	0.000	1	116.7660	0.000	1	120.5037	4.523	23	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C-2:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CN)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<2>,1|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<2>,1|C<4>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CN){1|C<2>,1|C<4>,2|C<3>,2|H<1>}	119.7725	0.416	2	119.7725	0.173	2	119.7725	0.173	2	120.5037	4.523	23	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6,6a]O)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6,6a]C)(OH)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6,6a]O)(C[6a]C[6a]O){2|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|H<1>,4|O<2>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6,6a]C)(OH){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	127.1840	0.000	1	127.1840	0.000	1	121.2439	4.907	12	120.5037	4.523	23	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(OH)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){2|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|H<1>,1|O<2>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(OH){1|C<4>,2|C<3>,3|H<1>}	118.8560	0.000	1	118.9190	0.008	2	121.2439	4.907	12	120.5037	4.523	23	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(OH)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){2|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<1>,2|H<1>,2|O<2>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(OH){1|C<4>,2|C<3>,3|H<1>}	118.9820	0.000	1	118.9190	0.008	2	121.2439	4.907	12	120.5037	4.523	23	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<3>,1|O<2>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH){1|C<4>,2|C<3>,3|H<1>}	121.0697	0.286	3	121.0697	0.082	3	121.2439	4.907	12	120.5037	4.523	23	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]O[6]CH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,2|H<1>,2|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]O[6]CH)(H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|C<4>,2|C<3>,3|H<1>}	122.2500	0.000	1	122.2500	0.000	1	121.2439	4.907	12	120.5037	4.523	23	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]O[6]HO)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){2|H<1>,3|C<3>,3|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]O[6]HO)(H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|C<4>,2|C<3>,3|H<1>}	118.8470	0.000	1	118.8470	0.000	1	121.2439	4.907	12	120.5037	4.523	23	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]O)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C[6])(OC)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]O)2{2|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){2|H<1>,3|O<2>,5|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C[6])(OC){2|C<3>,2|C<4>,2|H<1>,3|O<2>}	120.6910	0.000	1	120.6910	0.000	1	121.2439	4.907	12	120.5037	4.523	23	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]O)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]O)2{1|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){2|H<1>,3|O<2>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	121.5400	0.201	2	121.6360	0.048	3	121.2439	4.907	12	120.5037	4.523	23	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]O)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]O)2{2|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){2|H<1>,3|O<2>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	121.8280	0.000	1	121.6360	0.048	3	121.2439	4.907	12	120.5037	4.523	23	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:2:	C[6]-4:C[6a]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){2|C<3>,2|C<4>,4|H<1>}	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<2>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	121.8840	0.000	1	121.8840	0.000	1	120.4580	2.799	4	120.5037	4.523	23	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:2:	C[6]-4:C[6a]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<2>,3|C<3>,4|H<1>}	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	118.9620	0.000	1	118.9620	0.000	1	120.4580	2.799	4	120.5037	4.523	23	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:2:	C[6]-4:C[6a]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){3|C<3>,5|H<1>}	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	119.0570	0.000	1	119.0570	0.000	1	120.4580	2.799	4	120.5037	4.523	23	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:2:	C[6]-4:C[6a]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC[6a])	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,3|H<1>,4|C<3>}	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|N<3>,1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC[6a]){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	121.9290	0.000	1	121.9290	0.000	1	120.4580	2.799	4	120.5037	4.523	23	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NOO)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,2|H<1>,3|C<3>,3|O<2>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NOO){1|C<4>,2|C<3>,3|H<1>}	123.5140	0.000	1	123.5140	0.000	1	123.5140	0.000	1	125.1585	5.409	2	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:3:	C[6]-4:C[6a]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NOO)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,2|C<3>,5|H<1>}	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){2|H<1>,2|N<3>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NOO){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	126.8030	0.000	1	126.8030	0.000	1	126.8030	0.000	1	125.1585	5.409	2	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:4:	C[6]-4:C[6a]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]N[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CC[6a]HH)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]N[6]HH)(H){1|N<2>,3|C<3>,3|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CC[6a]HH){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	124.9820	0.000	1	125.1018	0.219	5	125.1018	0.219	5	125.1018	0.219	5	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:4:	C[6]-4:C[6a]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]N[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CC[6a]HH)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,1|N<4>,2|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]N[6]HH)(H){1|N<2>,3|C<3>,3|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CC[6a]HH){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	125.3653	0.320	3	125.1018	0.219	5	125.1018	0.219	5	125.1018	0.219	5	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:4:	C[6]-4:C[6a]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]N[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CC[6a]HH)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,1|N<4>,2|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]N[6]HH)(H){3|C<4>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CC[6a]HH){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	124.4310	0.000	1	125.1018	0.219	5	125.1018	0.219	5	125.1018	0.219	5	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:2:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-3:C[6a]-3:C[6]-4:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]C[6]O)(C[6a]C[6a]H)2	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]HH)(OH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]C[6]O)(C[6a]C[6a]H)2{4|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]HH)(OH){1|N<2>,1|S<2>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,1|H<1>,1|O<2>,2|C<3>}	120.3818	2.686	6	120.3818	7.213	6	120.3818	7.213	6	120.5345	3.414	21	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:2:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[6a]-3:C[6]-4:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5a,6]C[6]O)(C[6a]C[6a]H)2	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]HO)(OH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5a,6]C[6]O)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]HO)(OH){1|C<4>,1|N<2>,1|N<3>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	121.3265	2.039	2	121.3265	4.156	2	121.3265	4.156	2	120.5345	3.414	21	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:2:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-3:C[6a]-3:C[6]-4:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]C[6]O)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(OH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]C[6]O)(C[6a]C[6a]H)2{2|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(OH){3|C<3>,3|C<4>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.6118	1.738	4	120.6118	3.021	4	120.6118	3.021	4	120.5345	3.414	21	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:2:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]O)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]HH)(OH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6]O)(C[6a]C[6a]C)(C[6a]C[6a]H){1|N<3>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]HH)(OH){2|C<4>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	118.0910	0.000	1	118.0910	0.000	1	120.2228	2.667	5	120.5345	3.414	21	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:2:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]O)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CC)(OH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6]O)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CC)(OH){5|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.9315	2.191	2	120.9315	4.802	2	120.2228	2.667	5	120.5345	3.414	21	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:2:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]O)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]CH)(OH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6]O)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]CH)(OH){1|C<4>,1|S<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.5800	0.246	2	120.5800	0.061	2	120.2228	2.667	5	120.5345	3.414	21	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:2:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[5,6]-3:C[6a]-3:C[6]-4:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]N[5,6]C[6]O)(C[6a]C[6a]H)2	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]CH)(OH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]N[5,6]C[6]O)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]CH)(OH){1|C<4>,1|N<3>,4|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	120.6797	1.454	4	120.6797	2.113	4	120.6797	2.113	4	120.5345	3.414	21	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:2:	3:3:4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:O-2:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6]C[6,6a]C[6]O)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]HH)(OH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3)	C[6a](C[6]C[6,6a]C[6]O)(C[6a]C[6a]C)(C[6a]C[6a]H){1|N<3>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]HH)(OH){2|C<4>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	123.1880	0.000	1	123.1880	0.000	1	123.1880	0.000	1	123.1880	0.000	1	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:3:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[6a]-3:C[6]-4:C-3:	C[5,6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5a,6]C[6]C)(C[6a]C[5,6a]H)(C[6a]C[6a]O)	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(C[6]C[6]HH)(COO)	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]C[6])(H)	C[6a](C[6]C[5a,6]C[6]C)(C[6a]C[5,6a]H)(C[6a]C[6a]O){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(C[6]C[6]HH)(COO){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]C[6])(H){1|N<3>,1|O<2>,3|C<3>,4|C<4>}	122.4030	0.257	2	122.4030	0.066	2	122.4030	0.066	2	120.9662	1.881	48	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:3:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[6a]-3:C[6]-4:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5a,6]C[6]C)(C[6a]C[6a]H)2	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]N[6]HH)(CCO)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5a,6]C[6]C)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,4|H<1>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]N[6]HH)(CCO){1|C<4>,1|N<3>,1|S<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	120.7110	0.353	4	120.7110	0.125	4	120.8761	1.286	16	120.9662	1.881	48	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:3:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[6a]-3:C[6]-4:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5a,6]C[6]C)(C[6a]C[6a]H)2	C[6](C[5a,6]C[5a,6]O[5a])(C[6a]C[6a]2)(C[6]N[6]HH)(CCO)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5a,6]C[6]C)(C[6a]C[6a]H)2{1|N<3>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[5a,6]C[5a,6]O[5a])(C[6a]C[6a]2)(C[6]N[6]HH)(CCO){1|C<4>,1|S<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	120.7995	1.908	2	120.7995	3.642	2	120.8761	1.286	16	120.9662	1.881	48	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:3:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[6a]-3:C[6]-4:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5a,6]C[6]C)(C[6a]C[6a]H)2	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]N[6]HH)(COO)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5a,6]C[6]C)(C[6a]C[6a]H)2{1|N<2>,3|C<3>,4|H<1>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]N[6]HH)(COO){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	120.7745	1.313	2	120.9575	1.676	10	120.8761	1.286	16	120.9662	1.881	48	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:3:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[6a]-3:C[6]-4:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5a,6]C[6]C)(C[6a]C[6a]H)2	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]N[6]HH)(COO)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5a,6]C[6]C)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,4|H<1>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]N[6]HH)(COO){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	121.0033	1.377	8	120.9575	1.676	10	120.8761	1.286	16	120.9662	1.881	48	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:3:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a]-3:C[6a]-3:C[6]-4:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5a]C[6]N[6])(C[6a]C[6a]H)2	C[6](C[5a]C[5a]2)(C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5a]C[6]N[6])(C[6a]C[6a]H)2{5|C<3>,5|H<1>}	C[6](C[5a]C[5a]2)(C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H){1|S<2>,2|O<1>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	121.4615	1.494	2	121.4615	2.232	2	121.4615	2.232	2	120.9662	1.881	48	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:3:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]C)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CO)(COO)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6]C)(C[6a]C[6a]H)2{1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CO)(COO){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	121.0675	2.840	2	121.0675	8.068	2	121.0675	8.068	2	120.9662	1.881	48	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:3:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6]-4:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6a]C[6]2)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)2(C[6]C[6]HH)(C[6]C[6]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6a]C[6]2)(C[6a]C[6a]H)2{1|C<4>,4|C<3>,5|H<1>}	C[6](C[6a]C[6a]2)2(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,5|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	121.1827	1.835	4	121.1827	3.369	4	121.0747	1.996	8	120.9662	1.881	48	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:3:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6]-4:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6a]C[6]2)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)2(C[6]C[6]HH)(C[6]C[6]O)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H)	C[6a](C[6]C[6a]C[6]2)(C[6a]C[6a]H)2{1|O<1>,3|C<3>,3|C<4>,3|H<1>}	C[6](C[6a]C[6a]2)2(C[6]C[6]HH)(C[6]C[6]O){1|C<4>,4|C<3>,8|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H){1|C<4>,2|H<1>,3|C<3>}	119.7290	0.000	1	119.7290	0.000	1	121.0747	1.996	8	120.9662	1.881	48	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:3:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6]-4:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6a]C[6]2)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)2(C[6]C[6]HH)(C[6]C[6]O)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6a]C[6]2)(C[6a]C[6a]H)2{1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)2(C[6]C[6]HH)(C[6]C[6]O){1|C<4>,4|C<3>,8|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	121.0155	0.967	2	121.3793	0.864	3	121.0747	1.996	8	120.9662	1.881	48	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:3:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6]-4:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6a]C[6]2)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)2(C[6]C[6]HH)(C[6]C[6]O)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6a]C[6]2)(C[6a]C[6a]H)2{1|O<1>,3|C<3>,3|C<4>,3|H<1>}	C[6](C[6a]C[6a]2)2(C[6]C[6]HH)(C[6]C[6]O){1|C<4>,4|C<3>,8|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	122.1070	0.000	1	121.3793	0.864	3	121.0747	1.996	8	120.9662	1.881	48	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:3:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6]-4:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6a]C[6]N[6])(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)2(C[6]O[6]HH)(N[6]C[6]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6a]C[6]N[6])(C[6a]C[6a]H)2{1|C<4>,1|O<2>,3|C<3>,5|H<1>}	C[6](C[6a]C[6a]2)2(C[6]O[6]HH)(N[6]C[6]H){1|C<4>,5|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	120.7010	2.502	4	120.8275	3.329	12	120.8275	3.329	12	120.9662	1.881	48	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:3:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6]-4:N[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6a]C[6]N[6])(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)2(C[6]O[6]HH)(N[6]C[6]H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6a]C[6]N[6])(C[6a]C[6a]H)2{1|C<4>,1|O<2>,3|C<3>,5|H<1>}	C[6](C[6a]C[6a]2)2(C[6]O[6]HH)(N[6]C[6]H){5|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	120.8907	1.592	8	120.8275	3.329	12	120.8275	3.329	12	120.9662	1.881	48	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:3:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[3,6]-3:C[6a]-3:C[6]-4:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]N[3,6]C[6]C)(C[6a]C[6a]H)2	C[6](N[3,6]C[3,6]C[3])(C[6a]C[6a]2)(C[6]O[6]HH)(COO)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]N[3,6]C[6]C)(C[6a]C[6a]H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](N[3,6]C[3,6]C[3])(C[6a]C[6a]2)(C[6]O[6]HH)(COO){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	120.5470	0.815	2	120.5470	0.664	2	120.5470	0.664	2	120.9662	1.881	48	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:3:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6]-4:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]C)(C[6a]C[6a]H)2	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]HH)(COO)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]C)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]HH)(COO){4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	120.8765	0.265	2	120.8765	0.070	2	120.7180	0.608	4	120.9662	1.881	48	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:3:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6]-4:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]C)(C[6a]C[6a]H)2	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(COO)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]C)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,5|H<1>}	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(COO){4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	120.5595	1.286	2	120.5595	1.654	2	120.7180	0.608	4	120.9662	1.881	48	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:3:	3:3:2:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[6a]-3:C[6]-4:C-3:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6]C[5a,6]C[6]C)(C[6a]C[5,6a]H)(C[6a]C[6a]O)	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(C[6]C[6]HH)(COO)	C[6a](C[6a]C[6a]C[6])(C[6a]C[5,6a]H)(OC)	C[6a](C[6]C[5a,6]C[6]C)(C[6a]C[5,6a]H)(C[6a]C[6a]O){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(C[6]C[6]HH)(COO){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[5,6a]H)(OC){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	120.0810	0.102	2	120.0810	0.010	2	120.0810	0.010	2	120.0810	0.010	2	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:4:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:C-4:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]C)(C[6a]C[6a,6a]H)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])(H)	C[6a](C[6]C[6,6a]C[6]C)(C[6a]C[6a,6a]H)(C[6a]C[6a]O){3|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(CH3){1|O<1>,2|H<1>,2|O<2>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])(H){2|O<2>,3|C<3>,3|C<4>}	121.4020	0.000	1	121.4020	0.000	1	121.4020	0.000	1	121.5424	3.446	339	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:4:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]C)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H)	C[6a](C[6]C[6,6a]C[6]C)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<2>,1|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(CH3){1|C<2>,1|C<4>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H){2|C<2>,2|C<3>,2|C<4>}	120.9025	0.926	2	120.9025	0.857	2	121.3906	3.767	87	121.5424	3.446	339	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:4:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]C)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(CCHH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6]C)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(CCHH){1|N<3>,1|O<2>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	121.4730	0.000	1	121.4730	0.000	1	121.3906	3.767	87	121.5424	3.446	339	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:4:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]C)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6]C)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(CH3){1|N<3>,1|O<2>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	123.0160	0.404	2	123.0160	0.164	2	121.3906	3.767	87	121.5424	3.446	339	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:4:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]C)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6]C)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(CH3){1|C<4>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	124.0020	0.000	1	121.4581	4.300	63	121.3906	3.767	87	121.5424	3.446	339	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:4:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]C)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6]C)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(CH3){1|C<4>,4|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	121.3063	1.928	4	121.4581	4.300	63	121.3906	3.767	87	121.5424	3.446	339	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:4:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]C)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6]C)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	121.6505	3.070	2	121.4581	4.300	63	121.3906	3.767	87	121.5424	3.446	339	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:4:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]C)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6]C)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	121.4496	2.035	34	121.4581	4.300	63	121.3906	3.767	87	121.5424	3.446	339	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:4:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]C)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6]C)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,2|C<3>,2|C<4>}	121.2515	2.819	4	121.4581	4.300	63	121.3906	3.767	87	121.5424	3.446	339	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:4:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]C)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6]C)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(CH3){1|S<2>,2|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	121.5215	4.788	2	121.4581	4.300	63	121.3906	3.767	87	121.5424	3.446	339	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:4:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]C)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6]C)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(CH3){1|S<2>,2|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	121.4378	2.107	10	121.4581	4.300	63	121.3906	3.767	87	121.5424	3.446	339	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:4:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]C)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6]C)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(CH3){1|S<3>,2|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	121.4900	3.851	2	121.4581	4.300	63	121.3906	3.767	87	121.5424	3.446	339	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:4:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]C)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6]C)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(CH3){1|S<4>,4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	121.0100	0.727	2	121.4581	4.300	63	121.3906	3.767	87	121.5424	3.446	339	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:4:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]C)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6]C)(C[6a]C[6a]H)2{4|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(CH3){3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	121.3080	0.231	2	121.4581	4.300	63	121.3906	3.767	87	121.5424	3.446	339	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:4:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]C)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H)	C[6a](C[6]C[6,6a]C[6]C)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(CH3){1|C<4>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	118.3580	0.000	1	118.3580	0.000	1	121.3906	3.767	87	121.5424	3.446	339	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:4:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]C)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(CHHN)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6]C)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(CHHN){1|C<4>,4|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	121.4993	1.206	4	121.4993	1.454	4	121.3906	3.767	87	121.5424	3.446	339	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:4:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]C)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]CH)(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6]C)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]CH)(CH3){1|O<2>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	120.7545	2.429	2	120.7545	5.900	2	121.3906	3.767	87	121.5424	3.446	339	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:4:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]C)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]HH)(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6]C)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]HH)(CH3){1|C<4>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	121.3630	1.921	2	121.3630	3.688	2	121.3906	3.767	87	121.5424	3.446	339	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:4:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]C)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]HO)(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6]C)(C[6a]C[6a]H)2{1|N<3>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]HO)(CH3){1|O<2>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	120.8645	1.826	4	120.8645	3.335	4	121.3906	3.767	87	121.5424	3.446	339	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:4:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]C)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]HS)(CCHH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6]C)(C[6a]C[6a]H)2{1|N<3>,1|S<2>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]HS)(CCHH){1|C<4>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	121.4190	1.793	2	121.4190	3.216	2	121.3906	3.767	87	121.5424	3.446	339	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:4:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]C)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]O[6]HH)(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6]C)(C[6a]C[6a]H)2{1|O<2>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]O[6]HH)(CH3){3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	121.2320	1.984	4	121.2320	3.937	4	121.3906	3.767	87	121.5424	3.446	339	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:4:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6]-4:C[6]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6a]C[6]2)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)2(C[6]C[6]HH)(C[6]C[6]HN)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6a]C[6]2)(C[6a]C[6a]H)2{1|N<2>,2|C<4>,3|C<3>,5|H<1>}	C[6](C[6a]C[6a]2)2(C[6]C[6]HH)(C[6]C[6]HN){2|C<4>,4|C<3>,7|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	121.7375	2.452	4	121.7375	6.010	4	121.6247	3.434	239	121.5424	3.446	339	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:4:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6]-4:C[6]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6a]C[6]2)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)2(C[6]C[6]HH)(C[6]N[6]HH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6a]C[6]2)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,6|H<1>}	C[6](C[6a]C[6a]2)2(C[6]C[6]HH)(C[6]N[6]HH){1|C<4>,5|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	121.1232	2.319	4	121.1232	5.378	4	121.6247	3.434	239	121.5424	3.446	339	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:4:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6]-4:C[6]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6a]C[6]2)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)2(C[6]C[6]HH)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H)	C[6a](C[6]C[6a]C[6]2)(C[6a]C[6a]H)2{3|C<3>,3|C<4>,5|H<1>}	C[6](C[6a]C[6a]2)2(C[6]C[6]HH)2{1|C<4>,4|C<3>,8|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	121.3465	1.372	2	120.9463	2.148	26	121.6247	3.434	239	121.5424	3.446	339	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:4:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6]-4:C[6]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6a]C[6]2)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)2(C[6]C[6]HH)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H)	C[6a](C[6]C[6a]C[6]2)(C[6a]C[6a]H)2{3|C<3>,3|C<4>,5|H<1>}	C[6](C[6a]C[6a]2)2(C[6]C[6]HH)2{5|C<3>,8|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	119.5787	0.503	4	120.9463	2.148	26	121.6247	3.434	239	121.5424	3.446	339	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:4:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6]-4:C[6]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6a]C[6]2)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)2(C[6]C[6]HH)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H)	C[6a](C[6]C[6a]C[6]2)(C[6a]C[6a]H)2{3|C<3>,4|C<4>,4|H<1>}	C[6](C[6a]C[6a]2)2(C[6]C[6]HH)2{1|C<4>,4|C<3>,8|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	121.1798	1.490	20	120.9463	2.148	26	121.6247	3.434	239	121.5424	3.446	339	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:4:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6]-4:C[6]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6a]C[6]2)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)2(C[6]C[6]HH)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6a]C[6]2)(C[6a]C[6a]H)2{1|O<2>,2|C<4>,3|C<3>,5|H<1>}	C[6](C[6a]C[6a]2)2(C[6]C[6]HH)2{1|C<4>,4|C<3>,8|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	120.4635	0.547	4	121.7064	3.565	201	121.6247	3.434	239	121.5424	3.446	339	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:4:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6]-4:C[6]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6a]C[6]2)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)2(C[6]C[6]HH)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6a]C[6]2)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,6|H<1>}	C[6](C[6a]C[6a]2)2(C[6]C[6]HH)2{1|C<4>,4|C<3>,8|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	121.7074	1.938	183	121.7064	3.565	201	121.6247	3.434	239	121.5424	3.446	339	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:4:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6]-4:C[6]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6a]C[6]2)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)2(C[6]C[6]HH)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6a]C[6]2)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,6|H<1>}	C[6](C[6a]C[6a]2)2(C[6]C[6]HH)2{5|C<3>,8|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	121.5451	1.215	8	121.7064	3.565	201	121.6247	3.434	239	121.5424	3.446	339	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:4:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6]-4:C[6]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6a]C[6]2)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)2(C[6]C[6]HH)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6a]C[6]2)(C[6a]C[6a]H)2{3|C<3>,3|C<4>,5|H<1>}	C[6](C[6a]C[6a]2)2(C[6]C[6]HH)2{1|C<4>,4|C<3>,8|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	121.5740	1.329	2	121.7064	3.565	201	121.6247	3.434	239	121.5424	3.446	339	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:4:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6]-4:C[6]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6a]C[6]2)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)2(C[6]C[6]HH)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6a]C[6]2)(C[6a]C[6a]H)2{3|C<3>,3|C<4>,5|H<1>}	C[6](C[6a]C[6a]2)2(C[6]C[6]HH)2{5|C<3>,8|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	123.2903	0.262	4	121.7064	3.565	201	121.6247	3.434	239	121.5424	3.446	339	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:4:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6]-4:C[6]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6a]C[6]2)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)2(C[6]C[6]HH)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H)	C[6a](C[6]C[6a]C[6]2)(C[6a]C[6a]H)2{1|O<2>,2|C<4>,3|C<3>,5|H<1>}	C[6](C[6a]C[6a]2)2(C[6]C[6]HH)2{1|C<4>,4|C<3>,8|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	122.3170	0.288	4	122.3170	0.083	4	121.6247	3.434	239	121.5424	3.446	339	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:4:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[5,6]-3:C[6a]-3:C[6]-4:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]N[5,6]C[6]C)(C[6a]C[6a]H)2	C[6](N[5,6]C[5,6]N[5])(C[6a]C[6a]2)(C[6]C[6]HH)(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]N[5,6]C[6]C)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C[6](N[5,6]C[5,6]N[5])(C[6a]C[6a]2)(C[6]C[6]HH)(CH3){2|C<4>,3|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	121.1495	0.685	2	121.3648	2.232	4	121.3648	2.232	4	121.5424	3.446	339	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:4:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[5,6]-3:C[6a]-3:C[6]-4:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]N[5,6]C[6]C)(C[6a]C[6a]H)2	C[6](N[5,6]C[5,6]N[5])(C[6a]C[6a]2)(C[6]C[6]HH)(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]N[5,6]C[6]C)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C[6](N[5,6]C[5,6]N[5])(C[6a]C[6a]2)(C[6]C[6]HH)(CH3){3|C<3>,3|C<4>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	121.5800	2.458	2	121.3648	2.232	4	121.3648	2.232	4	121.5424	3.446	339	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:4:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6]-4:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]C)(C[6a]C[6a]H)2	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]CC)(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]C)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,4|C<3>}	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]CC)(CH3){4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	120.8805	0.916	2	120.8805	0.839	2	120.8402	1.271	8	121.5424	3.446	339	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:4:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6]-4:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]C)(C[6a]C[6a]H)2	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]HH)(CCHH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]C)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]HH)(CCHH){4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	121.1700	2.321	2	121.1700	5.386	2	120.8402	1.271	8	121.5424	3.446	339	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:4:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6]-4:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]C)(C[6a]C[6a]H)2	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]C)(C[6a]C[6a]H)2{4|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(CH3){3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	120.7535	0.436	2	120.7535	0.190	2	120.8402	1.271	8	121.5424	3.446	339	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:4:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6]-4:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]C)(C[6a]C[6a]H)2	C[6](N[6]N[5a,6]H)(C[6a]C[6a]2)(C[6]S[6]CH)(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]C)(C[6a]C[6a]H)2{1|N<3>,1|S<2>,2|C<3>,4|H<1>}	C[6](N[6]N[5a,6]H)(C[6a]C[6a]2)(C[6]S[6]CH)(CH3){1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	120.5570	1.445	2	120.5570	2.089	2	120.8402	1.271	8	121.5424	3.446	339	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:4:	3:3:2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:C-4:	C[6a]-3:C[6a]-3:C-2:	C[6a](C[6]C[6,6a]C[6]C)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CN)	C[6a](C[6]C[6,6a]C[6]C)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<2>,1|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(CH3){1|C<2>,1|C<4>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CN){1|C<2>,1|H<1>,2|C<3>,2|C<4>}	122.6965	0.001	2	122.6965	0.000	2	122.6965	0.000	2	121.4468	2.109	6	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:4:	3:3:2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:C-4:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6]C[6,6a]C[6]C)(C[6a]C[6a,6a]H)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(CH3)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C[6])(OH)	C[6a](C[6]C[6,6a]C[6]C)(C[6a]C[6a,6a]H)(C[6a]C[6a]O){3|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(CH3){1|O<1>,2|H<1>,2|O<2>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C[6])(OH){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	121.7750	0.000	1	121.7750	0.000	1	120.8220	1.953	4	121.4468	2.109	6	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:4:	3:3:2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:C-4:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6]C[6,6a]C[6]C)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(CCHH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH)	C[6a](C[6]C[6,6a]C[6]C)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(CCHH){1|N<3>,1|O<2>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH){2|C<3>,2|C<4>,2|H<1>}	122.2530	0.000	1	122.2530	0.000	1	120.8220	1.953	4	121.4468	2.109	6	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:3:4:4:	3:3:2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:C-4:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6]C[6,6a]C[6]C)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH)	C[6a](C[6]C[6,6a]C[6]C)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(CH3){1|N<3>,1|O<2>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH){2|C<3>,2|C<4>,2|H<1>}	119.6300	0.250	2	119.6300	0.063	2	120.8220	1.953	4	121.4468	2.109	6	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(N[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<2>,1|C<4>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(N[6]C[6])(H){1|N<3>,1|S<1>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,1|O<2>,2|H<1>}	120.7350	1.674	2	120.7350	2.804	2	120.8816	1.227	34	120.6208	2.064	430	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[5,6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Br)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|Br<1>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[5,6])(H){1|S<2>,2|C<3>,2|N<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Br)(H){1|C<3>,1|C<4>,1|N<2>,3|H<1>}	121.4980	0.000	1	121.4980	0.000	1	120.8816	1.227	34	120.6208	2.064	430	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[5,6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|Br<1>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[5,6])(H){1|S<2>,2|C<3>,2|N<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,3|H<1>}	120.3880	0.000	1	120.7662	0.936	5	120.8816	1.227	34	120.6208	2.064	430	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[5,6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[5,6])(H){1|N<3>,1|O<1>,1|S<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|N<2>,2|H<1>}	120.7600	0.291	2	120.7662	0.936	5	120.8816	1.227	34	120.6208	2.064	430	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[5,6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[5,6])(H){1|N<3>,1|S<2>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,3|H<1>}	120.9615	1.855	2	120.7662	0.936	5	120.8816	1.227	34	120.6208	2.064	430	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]CN)(N[6]C[5,6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CN)(N[6]C[5,6])(H){1|N<3>,1|O<1>,1|S<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,3|H<1>}	120.8030	1.544	2	120.8030	2.385	2	120.8816	1.227	34	120.6208	2.064	430	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[5,6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[5,6])(H){2|N<3>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,3|H<1>}	120.3850	1.396	4	120.3850	1.950	4	120.8816	1.227	34	120.6208	2.064	430	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6])(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|N<2>,2|H<1>}	120.7135	0.525	2	121.0093	1.126	11	120.8816	1.227	34	120.6208	2.064	430	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6])(H){2|O<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,3|H<1>}	120.9000	0.864	4	121.0093	1.126	11	120.8816	1.227	34	120.6208	2.064	430	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|O<2>,3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6])(H){1|N<3>,1|O<1>,1|S<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,1|O<2>,2|H<1>}	121.1540	0.000	1	121.0093	1.126	11	120.8816	1.227	34	120.6208	2.064	430	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{3|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6])(H){1|N<3>,1|O<1>,1|S<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|N<2>,2|H<1>}	121.2302	1.664	4	121.0093	1.126	11	120.8816	1.227	34	120.6208	2.064	430	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|O<2>,3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6])(H){1|N<3>,1|O<1>,1|S<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|N<2>,1|O<2>,2|H<1>}	119.7990	0.000	1	119.7990	0.000	1	120.8816	1.227	34	120.6208	2.064	430	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(N[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(N[6]C[6])(H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,3|H<1>}	120.7275	1.535	2	121.2437	0.896	6	120.8816	1.227	34	120.6208	2.064	430	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(N[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(N[6]C[6])(H){1|N<3>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|C<4>,1|N<2>,2|H<1>}	121.5018	0.665	4	121.2437	0.896	6	120.8816	1.227	34	120.6208	2.064	430	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]O[6]CH)(N[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]O[6]CH)(N[6]C[6])(H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|F<1>,1|N<2>,2|H<1>}	120.8340	2.519	2	120.8340	6.344	2	120.8816	1.227	34	120.6208	2.064	430	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[6])(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H){3|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[6])(H){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	121.1430	0.000	1	121.1430	0.000	1	121.1430	0.000	1	120.6208	2.064	430	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6a]-3:C[6a]-3:Br-1:	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Br)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]Br)(C[6a]C[6a]H){1|C<3>,3|C<4>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6])(H){1|Br<1>,2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Br){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	124.0160	0.000	1	124.0160	0.000	1	124.0160	0.000	1	120.6208	2.064	430	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(O[6]P[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<3>,1|P<4>,2|H<1>,3|C<4>}	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(O[6]P[6])(H){1|Cl<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	124.5830	0.000	1	122.9765	5.162	2	122.8217	2.653	3	120.6208	2.064	430	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(O[6]P[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<3>,1|P<4>,2|H<1>,3|C<4>}	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(O[6]P[6])(H){2|Cl<1>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	121.3700	0.000	1	122.9765	5.162	2	122.8217	2.653	3	120.6208	2.064	430	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(O[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|F<1>,1|N<4>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(O[6]C[6])(H){1|Cl<1>,2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	122.5120	0.000	1	122.5120	0.000	1	122.8217	2.653	3	120.6208	2.064	430	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]F)(C[6a]C[6a]H)	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(O[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(F)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]F)(C[6a]C[6a]H){1|C<3>,1|F<1>,1|N<4>,2|C<4>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(O[6]C[6])(H){1|F<1>,2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(F){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	121.2410	0.000	1	121.2410	0.000	1	121.2410	0.000	1	120.6208	2.064	430	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[5,6a]H)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H){3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[5,6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	118.9430	0.000	1	118.9430	0.000	1	120.5861	1.837	340	120.6208	2.064	430	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]Br)(C[6a]C[6a]H){1|C<3>,3|C<4>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6])(H){1|Br<1>,2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	119.8800	0.000	1	119.8800	0.000	1	120.5861	1.837	340	120.6208	2.064	430	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(O[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|N<3>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(O[6]C[6])(H){1|H<1>,1|N<2>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	116.9600	0.000	1	116.9600	0.000	1	120.5861	1.837	340	120.6208	2.064	430	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(O[6]P[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<3>,1|P<4>,2|H<1>,3|C<4>}	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(O[6]P[6])(H){1|Cl<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|O<2>}	119.3310	0.000	1	120.0505	1.035	2	120.5861	1.837	340	120.6208	2.064	430	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(O[6]P[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<3>,1|P<4>,2|H<1>,3|C<4>}	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(O[6]P[6])(H){2|Cl<1>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	120.7700	0.000	1	120.0505	1.035	2	120.5861	1.837	340	120.6208	2.064	430	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(O[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]F)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|F<1>,1|N<4>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(O[6]C[6])(H){1|Cl<1>,2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]F)(H){2|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|O<2>}	119.8510	0.000	1	119.8510	0.000	1	120.5861	1.837	340	120.6208	2.064	430	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]F)(C[6a]C[6a]H)	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(O[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]F)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]F)(C[6a]C[6a]H){1|C<3>,1|F<1>,1|N<4>,2|C<4>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(O[6]C[6])(H){1|F<1>,2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]F)(H){1|C<3>,1|C<4>,1|F<1>,1|O<2>,2|H<1>}	121.1520	0.000	1	121.1520	0.000	1	120.5861	1.837	340	120.6208	2.064	430	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){3|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	121.9270	0.000	1	121.9270	0.000	1	120.5861	1.837	340	120.6208	2.064	430	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(O[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{2|C<3>,2|H<1>,3|C<4>}	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(O[6]C[6])(H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	120.4410	1.020	2	120.8395	1.652	4	120.5861	1.837	340	120.6208	2.064	430	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(O[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(O[6]C[6])(H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	121.2380	1.812	2	120.8395	1.652	4	120.5861	1.837	340	120.6208	2.064	430	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(O[6]P[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<3>,1|H<1>,1|N<3>,1|P<4>,3|C<4>}	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(O[6]P[6])(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.6580	0.000	1	120.7415	1.274	23	120.5861	1.837	340	120.6208	2.064	430	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(O[6]P[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<3>,1|P<4>,2|H<1>,3|C<4>}	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(O[6]P[6])(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.1505	1.842	2	120.7415	1.274	23	120.5861	1.837	340	120.6208	2.064	430	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(O[6]P[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<3>,1|P<4>,2|H<1>,3|C<4>}	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(O[6]P[6])(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	120.6925	1.969	2	120.7415	1.274	23	120.5861	1.837	340	120.6208	2.064	430	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(O[6]P[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<3>,1|P<4>,2|H<1>,3|C<4>}	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(O[6]P[6])(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.9160	1.127	10	120.7415	1.274	23	120.5861	1.837	340	120.6208	2.064	430	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(O[6]P[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<3>,1|P<4>,2|H<1>,3|C<4>}	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(O[6]P[6])(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	120.8023	1.448	4	120.7415	1.274	23	120.5861	1.837	340	120.6208	2.064	430	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(O[6]P[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<3>,1|P<4>,2|H<1>,3|C<4>}	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(O[6]P[6])(H){1|N<3>,1|O<2>,1|S<1>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.7045	0.640	2	120.7415	1.274	23	120.5861	1.837	340	120.6208	2.064	430	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(O[6]P[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<3>,1|P<4>,2|H<1>,3|C<4>}	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(O[6]P[6])(H){1|O<1>,2|C<3>,2|O<2>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.4665	1.203	2	120.7415	1.274	23	120.5861	1.837	340	120.6208	2.064	430	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(O[6]P[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]N)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<3>,1|H<1>,1|N<3>,1|P<4>,3|C<4>}	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(O[6]P[6])(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.6310	0.000	1	120.6310	0.000	1	120.5861	1.837	340	120.6208	2.064	430	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6,6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6,6])(H){1|C<4>,3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	121.0020	1.652	2	120.8552	4.609	4	120.5861	1.837	340	120.6208	2.064	430	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6,6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6,6])(H){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.7085	3.318	2	120.8552	4.609	4	120.5861	1.837	340	120.6208	2.064	430	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<3>,3|C<4>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6])(H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	121.1326	0.617	8	120.6250	0.864	44	120.5861	1.837	340	120.6208	2.064	430	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<3>,3|C<4>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6])(H){2|C<4>,2|H<1>,2|O<2>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.6070	0.174	4	120.6250	0.864	44	120.5861	1.837	340	120.6208	2.064	430	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6])(H){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	120.5650	1.708	4	120.6250	0.864	44	120.5861	1.837	340	120.6208	2.064	430	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6])(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.4635	0.037	2	120.6250	0.864	44	120.5861	1.837	340	120.6208	2.064	430	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6])(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	119.9330	1.487	4	120.6250	0.864	44	120.5861	1.837	340	120.6208	2.064	430	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6])(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	120.7790	0.636	4	120.6250	0.864	44	120.5861	1.837	340	120.6208	2.064	430	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6])(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	120.6970	0.414	4	120.6250	0.864	44	120.5861	1.837	340	120.6208	2.064	430	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6])(H){1|C<4>,3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.4700	1.047	2	120.6250	0.864	44	120.5861	1.837	340	120.6208	2.064	430	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6])(H){1|C<4>,3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	121.2350	0.957	2	120.6250	0.864	44	120.5861	1.837	340	120.6208	2.064	430	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6])(H){1|C<4>,3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.5770	1.345	2	120.6250	0.864	44	120.5861	1.837	340	120.6208	2.064	430	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6])(H){1|N<2>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.1280	1.112	2	120.6250	0.864	44	120.5861	1.837	340	120.6208	2.064	430	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6])(H){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.1620	1.122	4	120.6250	0.864	44	120.5861	1.837	340	120.6208	2.064	430	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6])(H){2|C<3>,2|C<4>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.8605	1.426	2	120.6250	0.864	44	120.5861	1.837	340	120.6208	2.064	430	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]Ge[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|Ge<2>,3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]Ge[6])(H){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.7660	1.113	2	120.7660	1.239	2	120.5861	1.837	340	120.6208	2.064	430	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]N[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]N[6])(H){2|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	119.9660	1.510	4	119.9660	2.280	4	120.5861	1.837	340	120.6208	2.064	430	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]CN)(O[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CN)(O[6]C[6])(H){1|N<3>,2|C<3>,2|H<1>,2|O<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.3880	3.407	2	120.3880	11.607	2	120.5861	1.837	340	120.6208	2.064	430	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[3x6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[3x6])(H){1|C<4>,2|H<1>,2|O<2>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.3460	0.508	4	120.3460	0.258	4	120.5861	1.837	340	120.6208	2.064	430	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[5,6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[5,6])(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	120.7297	1.146	4	120.6644	0.751	8	120.5861	1.837	340	120.6208	2.064	430	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[5,6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[5,6])(H){1|C<4>,2|C<3>,2|O<2>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.7920	0.371	2	120.6644	0.751	8	120.5861	1.837	340	120.6208	2.064	430	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[5,6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[5,6])(H){1|O<2>,2|C<3>,2|H<1>,4|C<4>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.4060	0.997	2	120.6644	0.751	8	120.5861	1.837	340	120.6208	2.064	430	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6,6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6,6])(H){1|Cr<9>,2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.5637	2.337	4	120.5330	2.423	12	120.5861	1.837	340	120.6208	2.064	430	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6,6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6,6])(H){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	120.6715	1.469	2	120.5330	2.423	12	120.5861	1.837	340	120.6208	2.064	430	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6,6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{3|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6,6])(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.3710	0.986	4	120.5330	2.423	12	120.5861	1.837	340	120.6208	2.064	430	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6,6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{3|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6,6])(H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	120.6570	2.240	2	120.5330	2.423	12	120.5861	1.837	340	120.6208	2.064	430	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	122.3085	2.651	2	120.7888	1.830	82	120.5861	1.837	340	120.6208	2.064	430	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	121.1390	1.189	2	120.7888	1.830	82	120.5861	1.837	340	120.6208	2.064	430	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	121.2820	1.375	2	120.7888	1.830	82	120.5861	1.837	340	120.6208	2.064	430	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	121.3720	1.124	2	120.7888	1.830	82	120.5861	1.837	340	120.6208	2.064	430	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	120.8325	1.483	4	120.7888	1.830	82	120.5861	1.837	340	120.6208	2.064	430	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	121.3490	3.709	2	120.7888	1.830	82	120.5861	1.837	340	120.6208	2.064	430	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H){1|C<4>,2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	121.4082	1.915	4	120.7888	1.830	82	120.5861	1.837	340	120.6208	2.064	430	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H){1|C<4>,3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|F<1>,1|O<2>,2|H<1>}	120.7270	2.011	2	120.7888	1.830	82	120.5861	1.837	340	120.6208	2.064	430	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H){1|C<4>,3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	120.7950	0.972	2	120.7888	1.830	82	120.5861	1.837	340	120.6208	2.064	430	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H){1|Cl<1>,1|C<4>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	120.1475	1.494	2	120.7888	1.830	82	120.5861	1.837	340	120.6208	2.064	430	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H){1|F<1>,2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	120.4502	1.161	4	120.7888	1.830	82	120.5861	1.837	340	120.6208	2.064	430	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	120.9350	1.440	2	120.7888	1.830	82	120.5861	1.837	340	120.6208	2.064	430	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H){1|N<3>,3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	120.6620	0.809	2	120.7888	1.830	82	120.5861	1.837	340	120.6208	2.064	430	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H){2|C<3>,2|C<4>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.5910	1.298	2	120.7888	1.830	82	120.5861	1.837	340	120.6208	2.064	430	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H){2|C<3>,3|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.7030	0.501	2	120.7888	1.830	82	120.5861	1.837	340	120.6208	2.064	430	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H){2|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	120.7615	1.805	4	120.7888	1.830	82	120.5861	1.837	340	120.6208	2.064	430	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.4305	1.964	2	120.7888	1.830	82	120.5861	1.837	340	120.6208	2.064	430	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	120.6910	0.025	2	120.7888	1.830	82	120.5861	1.837	340	120.6208	2.064	430	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	120.6025	0.194	2	120.7888	1.830	82	120.5861	1.837	340	120.6208	2.064	430	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	121.0245	0.192	2	120.7888	1.830	82	120.5861	1.837	340	120.6208	2.064	430	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	120.3380	0.037	2	120.7888	1.830	82	120.5861	1.837	340	120.6208	2.064	430	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	120.7078	1.598	4	120.7888	1.830	82	120.5861	1.837	340	120.6208	2.064	430	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.6640	1.372	2	120.7888	1.830	82	120.5861	1.837	340	120.6208	2.064	430	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	120.2955	2.529	2	120.7888	1.830	82	120.5861	1.837	340	120.6208	2.064	430	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.2660	2.742	2	120.7888	1.830	82	120.5861	1.837	340	120.6208	2.064	430	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H){1|N<3>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.6348	2.272	6	120.7888	1.830	82	120.5861	1.837	340	120.6208	2.064	430	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H){3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	120.9600	0.628	2	120.7888	1.830	82	120.5861	1.837	340	120.6208	2.064	430	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H){3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.9790	1.764	2	120.7888	1.830	82	120.5861	1.837	340	120.6208	2.064	430	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H){3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.2555	0.486	2	120.7888	1.830	82	120.5861	1.837	340	120.6208	2.064	430	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{3|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H){1|C<4>,2|C<3>,2|H<1>,2|O<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.2795	1.061	2	120.7888	1.830	82	120.5861	1.837	340	120.6208	2.064	430	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{3|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	121.0865	1.210	2	120.7888	1.830	82	120.5861	1.837	340	120.6208	2.064	430	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{3|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.8060	2.219	2	120.7888	1.830	82	120.5861	1.837	340	120.6208	2.064	430	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{3|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	120.4300	1.196	2	120.7888	1.830	82	120.5861	1.837	340	120.6208	2.064	430	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{3|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H){1|O<1>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|F<1>,1|O<2>,2|H<1>}	120.9960	0.462	2	120.7888	1.830	82	120.5861	1.837	340	120.6208	2.064	430	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]N)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	119.3435	3.738	2	119.3435	13.976	2	120.5861	1.837	340	120.6208	2.064	430	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]N[6,6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]N[6,6])(H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.5351	1.486	12	120.4528	1.518	18	120.5861	1.837	340	120.6208	2.064	430	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]N[6,6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]N[6,6])(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.2883	0.505	6	120.4528	1.518	18	120.5861	1.837	340	120.6208	2.064	430	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]N[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<2>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]N[6])(H){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	121.0520	2.184	2	120.6470	0.879	10	120.5861	1.837	340	120.6208	2.064	430	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]N[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]N[6])(H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.5522	0.710	6	120.6470	0.879	10	120.5861	1.837	340	120.6208	2.064	430	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]N[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]N[6])(H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.5265	0.453	2	120.6470	0.879	10	120.5861	1.837	340	120.6208	2.064	430	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]P[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|P<4>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]P[6])(H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.3001	2.230	12	120.2867	4.225	14	120.5861	1.837	340	120.6208	2.064	430	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]P[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|P<4>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]P[6])(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.2065	0.445	2	120.2867	4.225	14	120.5861	1.837	340	120.6208	2.064	430	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HI)(O[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<3>,1|I<1>,2|C<4>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HI)(O[6]C[6])(H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.2730	1.202	2	120.2730	1.445	2	120.5861	1.837	340	120.6208	2.064	430	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(O[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(O[6]C[6])(H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.2855	2.244	2	120.5140	2.901	12	120.5861	1.837	340	120.6208	2.064	430	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(O[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(O[6]C[6])(H){1|C<4>,3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.6695	1.296	4	120.5140	2.901	12	120.5861	1.837	340	120.6208	2.064	430	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(O[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(O[6]C[6])(H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.4865	2.080	6	120.5140	2.901	12	120.5861	1.837	340	120.6208	2.064	430	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HO)(O[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6a]C[6a]2)(C[6]C[6]HO)(O[6]C[6])(H){1|C<4>,1|O<2>,1|S<2>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H){1|Cl<1>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	119.5590	1.536	2	119.5590	2.359	2	120.5861	1.837	340	120.6208	2.064	430	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HO)(O[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HO)(O[6]C[6])(H){1|C<4>,2|C<3>,2|O<2>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.3740	0.013	2	120.7850	1.547	6	120.5861	1.837	340	120.6208	2.064	430	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HO)(O[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6a]C[6a]2)(C[6]C[6]HO)(O[6]C[6])(H){1|C<4>,1|O<2>,1|S<2>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	121.5390	1.796	2	120.7850	1.547	6	120.5861	1.837	340	120.6208	2.064	430	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HO)(O[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HO)(O[6]C[6])(H){1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.4420	1.673	2	120.7850	1.547	6	120.5861	1.837	340	120.6208	2.064	430	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HS)(O[6]C[6,6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<3>,1|S<4>,2|C<4>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HS)(O[6]C[6,6])(H){2|C<3>,3|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|F<1>,1|O<2>,2|H<1>}	120.4803	1.702	6	120.4971	2.996	8	120.5861	1.837	340	120.6208	2.064	430	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HS)(O[6]C[6,6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<3>,1|S<4>,2|C<4>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HS)(O[6]C[6,6])(H){2|C<3>,3|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.5475	2.545	2	120.4971	2.996	8	120.5861	1.837	340	120.6208	2.064	430	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HS)(O[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<3>,1|S<2>,2|C<4>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HS)(O[6]C[6])(H){1|C<4>,2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.7590	0.808	2	120.4955	2.241	4	120.5861	1.837	340	120.6208	2.064	430	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HS)(O[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<3>,1|S<4>,2|C<4>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HS)(O[6]C[6])(H){2|C<3>,3|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.2320	2.407	2	120.4955	2.241	4	120.5861	1.837	340	120.6208	2.064	430	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]OO)(O[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6](C[6a]C[6a]2)(C[6]C[6]OO)(O[6]C[6])(H){2|F<1>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.3850	2.568	2	120.3850	6.596	2	120.5861	1.837	340	120.6208	2.064	430	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(O[6]C[3,6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(O[6]C[3,6])(H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.2800	1.837	2	120.2800	3.375	2	120.5861	1.837	340	120.6208	2.064	430	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(O[6]C[6,6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(O[6]C[6,6])(H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.7177	0.947	6	120.7177	0.897	6	120.5861	1.837	340	120.6208	2.064	430	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(O[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(O[6]C[6])(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.5233	1.531	10	120.5216	2.323	20	120.5861	1.837	340	120.6208	2.064	430	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(O[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(O[6]C[6])(H){1|C<4>,1|N<3>,1|S<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.6232	1.645	4	120.5216	2.323	20	120.5861	1.837	340	120.6208	2.064	430	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(O[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(O[6]C[6])(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.4260	2.686	2	120.5216	2.323	20	120.5861	1.837	340	120.6208	2.064	430	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(O[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(O[6]C[6])(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.6730	0.786	2	120.5216	2.323	20	120.5861	1.837	340	120.6208	2.064	430	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(O[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(O[6]C[6])(H){1|N<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.2545	2.614	2	120.5216	2.323	20	120.5861	1.837	340	120.6208	2.064	430	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(O[6]N[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,2|N<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(O[6]N[6])(H){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.4685	1.323	2	120.4685	1.750	2	120.5861	1.837	340	120.6208	2.064	430	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(O[6]P[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<4>,1|P<4>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(O[6]P[6])(H){2|C<3>,2|C<4>,2|O<1>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.2730	3.367	2	120.2730	11.338	2	120.5861	1.837	340	120.6208	2.064	430	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(O[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(O[6]C[6])(H){1|C<4>,1|S<4>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.9030	1.363	4	120.6680	2.874	14	120.5861	1.837	340	120.6208	2.064	430	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(O[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(O[6]C[6])(H){1|C<4>,1|S<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.5331	2.081	8	120.6680	2.874	14	120.5861	1.837	340	120.6208	2.064	430	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(O[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(O[6]C[6])(H){1|S<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	120.7375	1.056	2	120.6680	2.874	14	120.5861	1.837	340	120.6208	2.064	430	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(O[6]N[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<3>,2|N<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(O[6]N[6])(H){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.2905	0.397	2	120.2905	0.157	2	120.5861	1.837	340	120.6208	2.064	430	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]O[6]CH)(O[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]O[6]CH)(O[6]C[6])(H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.3257	0.950	4	120.3257	0.902	4	120.5861	1.837	340	120.6208	2.064	430	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]O[6]HH)(O[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]O[6]HH)(O[6]C[6])(H){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.3845	1.158	2	120.3845	1.340	2	120.5861	1.837	340	120.6208	2.064	430	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]O[6]HH)(O[6]N[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,1|O<2>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]O[6]HH)(O[6]N[6])(H){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.5162	0.783	4	120.5162	0.613	4	120.5861	1.837	340	120.6208	2.064	430	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]S[6]HH)(O[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|S<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]S[6]HH)(O[6]C[6])(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.7713	2.100	4	120.7713	4.410	4	120.5861	1.837	340	120.6208	2.064	430	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6a]-3:N[6a]-3:O-1:	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]O)(C[6a]N[6a]O)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a]O)(O)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]O)(C[6a]N[6a]O){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6])(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a]O)(O){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	116.6958	0.749	4	116.6958	0.561	4	116.6958	0.561	4	120.6208	2.064	430	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:S[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]S[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(S[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]S[6]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(S[6]C[6])(H){2|C<3>,2|C<4>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|S<2>,3|H<1>}	120.7850	0.000	1	120.5433	8.152	3	120.8390	3.120	38	120.6208	2.064	430	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:S[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]S[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(S[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]S[6]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(S[6]C[6])(H){1|C<4>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|S<2>,3|H<1>}	120.4225	4.027	2	120.5433	8.152	3	120.8390	3.120	38	120.6208	2.064	430	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:S[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]S[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(S[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]N)(H)	C[6a](C[6]C[6]S[6]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(S[6]C[6])(H){2|C<3>,2|C<4>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|S<2>,3|H<1>}	121.1360	0.000	1	121.1360	0.000	1	120.8390	3.120	38	120.6208	2.064	430	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:S[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]S[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(S[6]C[6,6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]S[6]H)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(S[6]C[6,6])(H){1|C<4>,3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|S<2>,3|H<1>}	120.9153	2.166	4	121.1791	3.268	8	120.8390	3.120	38	120.6208	2.064	430	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:S[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]S[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(S[6]C[6,6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]S[6]H)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(S[6]C[6,6])(H){2|C<3>,2|C<4>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|S<2>,3|H<1>}	121.8965	0.378	2	121.1791	3.268	8	120.8390	3.120	38	120.6208	2.064	430	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:S[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]S[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(S[6]C[6,6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]S[6]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(S[6]C[6,6])(H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|S<2>,3|H<1>}	120.9895	2.698	2	121.1791	3.268	8	120.8390	3.120	38	120.6208	2.064	430	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:S[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]S[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(S[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]S[6]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(S[6]C[6])(H){1|C<4>,1|N<2>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|S<2>,3|H<1>}	120.9375	0.773	2	120.7132	2.852	22	120.8390	3.120	38	120.6208	2.064	430	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:S[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]S[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(S[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]S[6]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(S[6]C[6])(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|S<2>,3|H<1>}	121.0072	1.910	6	120.7132	2.852	22	120.8390	3.120	38	120.6208	2.064	430	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:S[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]S[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(S[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]S[6]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(S[6]C[6])(H){2|N<3>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|S<2>,3|H<1>}	120.4215	2.296	4	120.7132	2.852	22	120.8390	3.120	38	120.6208	2.064	430	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:S[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]S[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(S[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]S[6]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(S[6]C[6])(H){2|N<3>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|S<2>,2|C<4>,2|H<1>}	121.2710	3.745	2	120.7132	2.852	22	120.8390	3.120	38	120.6208	2.064	430	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:S[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]S[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(S[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]S[6]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(S[6]C[6])(H){4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|S<2>,3|H<1>}	120.6865	0.162	2	120.7132	2.852	22	120.8390	3.120	38	120.6208	2.064	430	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:S[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]S[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(S[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]S[6]H)(C[6a]C[6a]H)2{3|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(S[6]C[6])(H){1|N<2>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|S<2>,3|H<1>}	120.3620	1.332	6	120.7132	2.852	22	120.8390	3.120	38	120.6208	2.064	430	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:S[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]S[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(S[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]S[6]H)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(S[6]C[6])(H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|S<2>,3|H<1>}	120.4315	0.326	2	120.4315	0.106	2	120.8390	3.120	38	120.6208	2.064	430	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:S[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]S[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]S[6]HH)(S[6]C[5,6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]N[6a]H)(H)	C[6a](C[6]C[6]S[6]H)(C[6a]C[6a]H)2{1|C<3>,1|N<2>,1|S<2>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]S[6]HH)(S[6]C[5,6])(H){1|S<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]N[6a]H)(H){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	121.5645	3.639	2	121.5645	13.246	2	120.8390	3.120	38	120.6208	2.064	430	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:Se[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]Se[6]C[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(Se[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]Se[6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(Se[6]C[6])(H){1|C<4>,1|N<2>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Se<2>,1|C<3>,1|C<4>,3|H<1>}	120.6335	1.356	4	120.6335	1.840	4	120.6335	1.840	4	120.6208	2.064	430	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:P[6]-4:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]O[6]P[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(P[6]C[6]OO)(O[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]O[6]P[6]H)(C[6a]C[6a]H)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6a]C[6a]2)(P[6]C[6]OO)(O[6]C[6])(H){1|O<2>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,1|P<4>,3|H<1>}	120.4107	0.602	4	120.4107	0.363	4	120.4107	0.363	4	120.6208	2.064	430	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:2:1:	3:3:2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]C)(C[6a]C[6a]O)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(OSi)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]C)(C[6a]C[6a]O){1|C<3>,1|H<1>,2|O<2>,3|C<4>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6])(H){2|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(OSi){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	117.1850	0.000	1	117.1850	0.000	1	120.9778	2.319	10	120.9778	2.319	10	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:2:1:	3:3:2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){3|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.7030	0.000	1	120.7030	0.000	1	120.9778	2.319	10	120.9778	2.319	10	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:2:1:	3:3:2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]O)(C[6a]N[6a]O)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]2)(OH)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]O)(C[6a]N[6a]O){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6])(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]2)(OH){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	122.1072	0.639	4	122.1072	0.408	4	120.9778	2.319	10	120.9778	2.319	10	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:2:1:	3:3:2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]O)2	C[6](C[6a]C[6a]2)(C[6]C[6]HO)(O[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(OH)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]O)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HO)(O[6]C[6])(H){2|C<3>,2|C<4>,2|H<1>,3|O<2>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(OH){1|C<3>,1|C<4>,1|H<1>,3|O<2>}	120.8335	0.166	2	120.8335	0.028	2	120.9778	2.319	10	120.9778	2.319	10	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:2:1:	3:3:2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]O)2	C[6](C[6a]C[6a]2)(C[6]C[6]HO)(O[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]O)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HO)(O[6]C[6])(H){2|C<3>,2|C<4>,2|H<1>,3|O<2>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>,3|O<2>}	120.8970	0.014	2	120.8970	0.000	2	120.9778	2.319	10	120.9778	2.319	10	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:2:1:	3:3:4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(O[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CCHH)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|N<3>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(O[6]C[6])(H){1|H<1>,1|N<2>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CCHH){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	123.5670	0.000	1	123.5670	0.000	1	123.5975	0.002	2	123.5975	0.002	2	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:2:1:	3:3:4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]C)(C[6a]C[6a]O)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(CCHH)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]C)(C[6a]C[6a]O){1|C<3>,1|H<1>,2|O<2>,3|C<4>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6])(H){2|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(CCHH){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	123.6280	0.000	1	123.6280	0.000	1	123.5975	0.002	2	123.5975	0.002	2	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:2:2:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:O[6]-2:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]O)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]O[6])(OH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]O)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]O[6])(OH){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	120.6315	3.627	2	120.6315	13.153	2	120.5006	2.109	17	120.6274	2.408	21	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:2:2:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:O[6]-2:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]O)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]N[6]CC)(O[6]N[6])(OH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]O)(C[6a]C[6a]H)2{1|C<3>,1|N<2>,1|N<3>,2|C<4>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]N[6]CC)(O[6]N[6])(OH){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	120.2320	0.537	2	120.2320	0.289	2	120.5006	2.109	17	120.6274	2.408	21	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:2:2:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:O[6]-2:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]O)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(O[6]C[6])(OH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Cl)(H)	C[6a](C[6]C[6]O[6]O)(C[6a]C[6a]H)2{1|Cl<1>,1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(O[6]C[6])(OH){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Cl)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	121.0770	0.000	1	120.9895	0.015	2	120.5006	2.109	17	120.6274	2.408	21	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:2:2:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:O[6]-2:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]O)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(O[6]C[6])(OH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Cl)(H)	C[6a](C[6]C[6]O[6]O)(C[6a]C[6a]H)2{1|Cl<1>,1|C<3>,1|N<4>,2|C<4>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(O[6]C[6])(OH){1|C<4>,2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Cl)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	120.9020	0.000	1	120.9895	0.015	2	120.5006	2.109	17	120.6274	2.408	21	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:2:2:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:O[6]-2:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]O)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(O[6]C[6])(OH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]O)(C[6a]C[6a]H)2{1|Cl<1>,1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(O[6]C[6])(OH){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	119.6130	0.000	1	119.7520	0.039	2	120.5006	2.109	17	120.6274	2.408	21	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:2:2:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:O[6]-2:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]O)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(O[6]C[6])(OH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]O)(C[6a]C[6a]H)2{1|Cl<1>,1|C<3>,1|N<4>,2|C<4>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(O[6]C[6])(OH){1|C<4>,2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	119.8910	0.000	1	119.7520	0.039	2	120.5006	2.109	17	120.6274	2.408	21	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:2:2:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:O[6]-2:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]O)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(O[6]C[6])(OH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]O)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<4>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(O[6]C[6])(OH){2|C<3>,3|H<1>,4|C<4>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,3|O<2>}	120.4200	1.665	2	120.6112	1.395	4	120.5006	2.109	17	120.6274	2.408	21	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:2:2:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:O[6]-2:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]O)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(O[6]C[6])(OH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]O)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<4>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(O[6]C[6])(OH){2|C<3>,3|H<1>,4|C<4>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	120.8025	1.126	2	120.6112	1.395	4	120.5006	2.109	17	120.6274	2.408	21	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:2:2:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:O[6]-2:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]O)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(O[6]N[6])(ON[5a])	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]O)(C[6a]C[6a]H)2{1|C<3>,1|N<2>,1|N<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(O[6]N[6])(ON[5a]){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	120.1710	0.465	2	120.1710	0.216	2	120.5006	2.109	17	120.6274	2.408	21	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:2:2:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:O[6]-2:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]O)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]S[6]HH)(O[6]C[6,6])(OC)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]O)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|S<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]S[6]HH)(O[6]C[6,6])(OC){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	120.3010	3.425	2	120.3010	11.732	2	120.5006	2.109	17	120.6274	2.408	21	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:2:2:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:O[6]-2:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]O)(C[6a]C[6a]Ni)(C[6a]C[6a]H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6])(ONi)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]O)(C[6a]C[6a]Ni)(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6])(ONi){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Ni<4>,1|C<3>,1|C<4>,1|H<1>,2|O<2>}	121.9120	0.000	1	121.9120	0.000	1	120.5006	2.109	17	120.6274	2.408	21	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:2:2:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:S[6]-2:S[6]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]S[6]2)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]2H)(S[6]C[6])2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]S[6]2)(C[6a]C[6a]H)2{1|C<3>,3|H<1>,4|C<4>}	C[6](C[6a]C[6a]2)(C[6]C[6]2H)(S[6]C[6])2{10|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|S<2>}	121.1660	2.081	4	121.1660	4.330	4	121.1660	4.330	4	120.6274	2.408	21	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:2:3:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:O[6]-2:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]C)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(CCO)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]C)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(CCO){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	119.5370	0.000	1	119.5370	0.000	1	120.2630	0.444	3	120.2630	0.444	3	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:2:3:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:O[6]-2:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]C)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(O[6]C[6])(CC[6a]O)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]C)(C[6a]C[6a]H)2{1|C<3>,1|N<2>,2|C<4>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(O[6]C[6])(CC[6a]O){1|C<4>,2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.6260	0.311	2	120.6260	0.097	2	120.2630	0.444	3	120.2630	0.444	3	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:2:3:	3:3:4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:O[6]-2:C-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6]C[6]O[6]C)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(CCO)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CCHH)	C[6a](C[6]C[6]O[6]C)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(CCO){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CCHH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	121.3710	0.000	1	121.3710	0.000	1	121.3710	0.000	1	121.3710	0.000	1	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:2:4:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-2:C-4:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6]C[6]N[6]C)(C[6a]C[6a]F)(C[6a]C[6a]H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6])(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(F)	C[6a](C[6]C[6]N[6]C)(C[6a]C[6a]F)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6])(CH3){1|C<4>,1|F<1>,1|N<3>,1|S<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(F){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	122.1040	0.475	2	122.1040	0.226	2	122.1040	0.226	2	120.9237	1.394	35	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:2:4:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-2:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]C)(C[6a]C[6a]F)(C[6a]C[6a]H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6])(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]N)(H)	C[6a](C[6]C[6]N[6]C)(C[6a]C[6a]F)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6])(CH3){1|C<4>,1|F<1>,1|N<3>,1|S<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]N)(H){1|C<3>,1|F<1>,1|H<1>,1|N<2>,2|C<4>}	122.0675	0.459	2	122.0675	0.211	2	121.2347	1.524	6	120.9237	1.394	35	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:2:4:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-2:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]C)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6])(CHHI)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6]C[6]N[6]C)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6])(CHHI){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]2)(H){1|N<2>,2|C<4>,2|H<1>,3|C<3>}	122.2590	0.000	1	122.2590	0.000	1	121.2347	1.524	6	120.9237	1.394	35	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:2:4:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-2:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]C)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6])(CHHI)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]C)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6])(CHHI){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	119.8470	0.000	1	119.6910	0.049	2	121.2347	1.524	6	120.9237	1.394	35	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:2:4:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-2:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]C)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6])(CHHI)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]C)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6])(CHHI){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	119.5350	0.000	1	119.6910	0.049	2	121.2347	1.524	6	120.9237	1.394	35	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:2:4:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-2:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]C)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6])(CHHI)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H)	C[6a](C[6]C[6]N[6]C)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6])(CHHI){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	121.6320	0.000	1	121.6320	0.000	1	121.2347	1.524	6	120.9237	1.394	35	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:2:4:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:O[6]-2:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]C)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(O[6]O[6])(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]C)(C[6a]C[6a]H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(O[6]O[6])(CH3){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	120.9645	0.408	2	120.9645	0.166	2	120.7671	1.367	27	120.9237	1.394	35	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:2:4:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:O[6]-2:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]C)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(CF3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]C)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(CF3){4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	120.8187	1.047	4	120.6779	1.316	8	120.7671	1.367	27	120.9237	1.394	35	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:2:4:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:O[6]-2:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]C)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(CF3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]C)(C[6a]C[6a]H)2{3|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(CF3){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	120.5370	1.386	4	120.6779	1.316	8	120.7671	1.367	27	120.9237	1.394	35	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:2:4:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:O[6]-2:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]C)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]C)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(CH3){4|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	120.6675	1.865	2	120.8368	2.375	6	120.7671	1.367	27	120.9237	1.394	35	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:2:4:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:O[6]-2:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]C)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]C)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(CH3){3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	121.0890	2.851	2	120.8368	2.375	6	120.7671	1.367	27	120.9237	1.394	35	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:2:4:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:O[6]-2:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]C)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]C)(C[6a]C[6a]H)2{3|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(CH3){1|O<1>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	120.7540	0.267	2	120.8368	2.375	6	120.7671	1.367	27	120.9237	1.394	35	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:2:4:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:O[6]-2:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]C)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(CHHI)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]C)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(CHHI){1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	120.4865	1.234	2	120.5910	0.620	4	120.7671	1.367	27	120.9237	1.394	35	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:2:4:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:O[6]-2:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]C)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(CHHI)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]C)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(CHHI){1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	120.6955	0.542	2	120.5910	0.620	4	120.7671	1.367	27	120.9237	1.394	35	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:2:4:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:O[6]-2:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]C)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(O[6]C[6])(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]C)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(O[6]C[6])(CH3){1|C<4>,1|S<4>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	121.1535	2.016	2	121.0474	1.351	5	120.7671	1.367	27	120.9237	1.394	35	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:2:4:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:O[6]-2:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]C)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(O[6]C[6])(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]C)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(O[6]C[6])(CH3){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	120.9767	0.806	3	121.0474	1.351	5	120.7671	1.367	27	120.9237	1.394	35	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:2:4:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:O[6]-2:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]C)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]O[6]HH)(O[6]O[6])(CHHS)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]C)(C[6a]C[6a]H)2{1|C<3>,2|O<2>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]O[6]HH)(O[6]O[6])(CHHS){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	120.3695	2.453	2	120.3695	6.017	2	120.7671	1.367	27	120.9237	1.394	35	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:2:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:N[6a]-2:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a])(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]N[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	118.8910	0.000	1	118.8910	0.000	1	118.8910	0.000	1	118.8910	0.000	1	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-3:C[5,6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]2H)(C[6a]C[6a]H)2	C[6](C[5,6]C[5,6,6]C[5])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]2H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5,6,6]C[5])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,1|S<2>,2|C<4>,3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.8225	4.878	2	120.8225	23.798	2	120.8225	23.798	2	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-3:C[6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]CH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]CH)(C[6a]C[6a]2)(H){1|O<2>,2|C<4>,3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	121.0565	2.023	2	121.0565	4.093	2	120.7678	1.676	4	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-3:C[6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Cl)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{1|Cl<1>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(C[6a]C[6a]2)(H){3|C<3>,3|N<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Cl)(H){1|C<4>,2|C<3>,3|H<1>}	119.9300	0.000	1	119.9300	0.000	1	120.7678	1.676	4	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-3:C[6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{1|Cl<1>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(C[6a]C[6a]2)(H){3|C<3>,3|N<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	121.0280	0.000	1	121.0280	0.000	1	120.7678	1.676	4	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[5,6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5a,6]C[5,6]H)(C[6a]C[6a]H)2	C[6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5a,6]C[5,6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H){1|N<2>,1|N<3>,1|O<1>,1|S<4>,2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.5925	0.645	4	120.5925	0.416	4	120.9546	1.508	20	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[5,6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5a,6]C[5,6]H)(C[6a]C[6a]H)2	C[6](C[5a,6]C[5a,6]O[5a])(C[5,6]C[5,6]O[5]C)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5a,6]C[5,6]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6](C[5a,6]C[5a,6]O[5a])(C[5,6]C[5,6]O[5]C)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.6555	1.865	2	120.6555	3.477	2	120.9546	1.508	20	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[5,6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5a,6]C[5,6]H)(C[6a]C[6a]H)2	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5a,6]C[5,6]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<2>,5|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.7180	2.205	2	120.7180	4.861	2	120.9546	1.508	20	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[5,6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5a,6]C[5,6]H)(C[6a]C[6a]H)2	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5a,6]C[5,6]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,5|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,2|N<3>,3|H<1>,7|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	121.1120	1.547	4	121.0155	2.229	6	120.9546	1.508	20	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[5,6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5a,6]C[5,6]H)(C[6a]C[6a]H)2	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5a,6]C[5,6]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,5|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(H){1|S<1>,1|S<2>,2|N<3>,3|H<1>,7|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.8225	1.962	2	121.0155	2.229	6	120.9546	1.508	20	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[5,6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5a,6]C[5,6]H)(C[6a]C[6a]H)2	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5]2C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5a,6]C[5,6]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,5|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5]2C[6])(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,2|O<1>,3|H<1>,7|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	121.4440	0.754	4	121.3137	1.263	6	120.9546	1.508	20	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[5,6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5a,6]C[5,6]H)(C[6a]C[6a]H)2	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5]2C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5a,6]C[5,6]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,5|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5]2C[6])(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,2|O<1>,3|H<1>,7|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	121.0530	2.099	2	121.3137	1.263	6	120.9546	1.508	20	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6,6]HH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6,6]HH)(C[6a]C[6a]2)(H){1|C<4>,1|N<2>,1|O<2>,2|H<1>,2|N<3>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	120.8243	0.280	4	120.8243	0.078	4	120.7284	0.976	33	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2{3|H<1>,5|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H){1|C<4>,1|N<2>,1|N<3>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	120.5585	0.655	4	120.6193	0.395	6	120.7284	0.976	33	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2{3|H<1>,5|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H){1|C<4>,1|N<2>,1|N<3>,1|O<2>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.7410	0.803	2	120.6193	0.395	6	120.7284	0.976	33	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H){2|C<4>,3|H<1>,7|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.8760	1.525	2	120.8760	2.324	2	120.7284	0.976	33	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,2|O<2>,3|C<3>}	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H){1|C<2>,1|C<4>,2|H<1>,7|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.6530	0.000	1	120.6530	0.000	1	120.7284	0.976	33	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H)	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,2|O<2>,3|C<3>}	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H){1|C<2>,1|C<4>,2|H<1>,7|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H){1|C<4>,2|C<3>,3|H<1>}	120.5530	0.000	1	120.5530	0.000	1	120.7284	0.976	33	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[5a,6]C[5a,6]S[5a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2{1|S<2>,3|H<1>,4|C<3>}	C[6](C[5a,6]C[5a,6]S[5a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H){1|N<2>,1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.7450	1.564	2	120.7450	2.446	2	120.7284	0.976	33	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[5,6]CC)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,2|C<2>,2|H<1>,3|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[5,6]CC)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	120.7445	1.395	2	120.9180	2.514	4	120.7284	0.976	33	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[5,6]CC)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,2|C<2>,2|H<1>,3|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[5,6]CC)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	121.0915	2.340	2	120.9180	2.514	4	120.7284	0.976	33	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[5,6]HH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[5,6]HH)(C[6a]C[6a]2)(H){1|N<2>,1|N<3>,1|S<2>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.8100	1.697	2	120.8100	2.880	2	120.7284	0.976	33	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6]HH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6]HH)(C[6a]C[6a]2)(H){1|N<3>,1|S<2>,2|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.7310	1.338	8	120.7310	1.789	8	120.7284	0.976	33	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<2>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H){4|H<1>,7|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	120.4783	0.615	3	120.4783	0.378	3	120.7284	0.976	33	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:P[6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5a,6]P[6]H)(C[6a]C[6a]H)2	C[6](C[5a,6]C[5a,6]S[5a])(P[6]C[5a,6]C[6a]S)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5a,6]P[6]H)(C[6a]C[6a]H)2{1|S<1>,1|S<2>,2|H<1>,4|C<3>}	C[6](C[5a,6]C[5a,6]S[5a])(P[6]C[5a,6]C[6a]S)(C[6a]C[6a]2)(H){1|S<2>,2|H<1>,7|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|P<4>,2|C<3>,3|H<1>}	120.2750	3.264	2	120.2750	10.654	2	120.2750	10.654	2	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-3:C[6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6]2)(C[6]C[5,6]HH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]2)(C[6]C[5,6]HH)(C[6a]C[6a]2)(H){2|C<3>,3|H<1>,6|C<4>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	121.8775	1.978	2	121.9720	3.902	4	121.4961	2.646	8	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-3:C[6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6]2)(C[6]C[5,6]HH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]2)(C[6]C[5,6]HH)(C[6a]C[6a]2)(H){3|C<3>,3|H<1>,5|C<4>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	122.0665	2.785	2	121.9720	3.902	4	121.4961	2.646	8	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-3:C[6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]ClC)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{1|Cl<1>,1|C<2>,2|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]ClC)(C[6a]C[6a]2)(H){1|N<2>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	121.0203	1.291	4	121.0203	1.668	4	121.4961	2.646	8	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[3,6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[3,6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]N[3]C)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[3,6]H)(C[6a]C[6a]H)2{1|C<2>,1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]N[3]C)(C[6a]C[6a]2)(H){1|O<1>,3|C<3>,3|H<1>,3|O<2>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	121.0713	0.796	4	121.0713	0.634	4	121.0713	0.634	4	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[5,6]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[6])(H)	C[6a](C[6]C[6,6a]C[5,6]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,2|C<4>,4|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[6])(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	119.8180	0.328	2	119.7347	0.075	3	119.7347	0.075	3	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[5,6]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[6])(H)	C[6a](C[6]C[6,6a]C[5,6]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|H<1>,2|C<4>,2|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H){2|C<4>,2|O<2>,4|C<3>,5|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[6])(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	119.5680	0.000	1	119.7347	0.075	3	119.7347	0.075	3	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[5,6]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[5,6a]H)(H)	C[6a](C[6]C[6,6a]C[5,6]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,2|C<4>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[5,6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.3925	0.453	2	120.3925	0.205	2	120.6832	2.475	90	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[5,6]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[5,6a]O)(H)	C[6a](C[6]C[6,6a]C[5,6]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|H<1>,2|C<4>,2|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H){2|C<4>,2|O<2>,4|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[5,6a]O)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	119.6860	0.000	1	119.6860	0.000	1	120.6832	2.475	90	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[5,6]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[5,6]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H){1|C<4>,1|H<1>,1|O<1>,3|O<2>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	121.4470	0.000	1	121.4470	0.000	1	120.6832	2.475	90	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[5,6]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[5,6]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H){1|C<4>,1|H<1>,1|O<1>,2|O<2>,7|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	120.9020	0.000	1	120.9020	0.000	1	120.6832	2.475	90	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[5,6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[5,6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,2|O<2>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	123.4440	0.000	1	123.4440	0.000	1	120.6832	2.475	90	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[5,6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H)	C[6a](C[6]C[6,6a]C[5,6]H)(C[6a]C[6a]H)2{4|C<3>,4|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|O<2>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.3750	1.607	2	120.3750	2.581	2	120.6832	2.475	90	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[5,6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Br)(H)	C[6a](C[6]C[6,6a]C[5,6]H)(C[6a]C[6a]H)2{2|Br<1>,1|C<4>,1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,2|C<4>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Br)(H){1|C<4>,2|C<3>,3|H<1>}	120.6010	1.223	2	120.6010	1.496	2	120.6832	2.475	90	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[5,6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[5,6]H)(C[6a]C[6a]H)2{1|C<4>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H){1|N<2>,1|O<2>,2|H<1>,2|N<3>,2|O<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	121.3050	1.714	2	120.9228	1.938	49	120.6832	2.475	90	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[5,6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[5,6]H)(C[6a]C[6a]H)2{1|C<4>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|C<4>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<2>,1|C<4>,2|C<3>,2|H<1>}	121.3865	3.475	2	120.9228	1.938	49	120.6832	2.475	90	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[5,6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[5,6]H)(C[6a]C[6a]H)2{1|C<4>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|C<4>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.4638	3.375	4	120.9228	1.938	49	120.6832	2.475	90	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[5,6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[5,6]H)(C[6a]C[6a]H)2{1|C<4>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H){1|O<2>,4|H<1>,7|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	121.2790	2.190	6	120.9228	1.938	49	120.6832	2.475	90	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[5,6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[5,6]H)(C[6a]C[6a]H)2{1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H){2|C<4>,2|O<2>,4|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	121.9380	0.000	1	120.9228	1.938	49	120.6832	2.475	90	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[5,6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[5,6]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<1>,2|O<2>,3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|F<1>,2|C<3>,2|H<1>}	121.0370	1.544	2	120.9228	1.938	49	120.6832	2.475	90	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[5,6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[5,6]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<1>,2|O<2>,3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	121.1030	1.995	2	120.9228	1.938	49	120.6832	2.475	90	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[5,6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[5,6]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,5|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	121.0010	1.379	2	120.9228	1.938	49	120.6832	2.475	90	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[5,6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[5,6]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H){1|C<4>,2|N<3>,4|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.7089	0.530	16	120.9228	1.938	49	120.6832	2.475	90	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[5,6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[5,6]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H){1|N<3>,2|C<4>,4|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.8667	0.506	4	120.9228	1.938	49	120.6832	2.475	90	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[5,6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[5,6]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H){1|O<2>,2|C<4>,4|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	121.0820	0.338	2	120.9228	1.938	49	120.6832	2.475	90	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[5,6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[5,6]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H){3|C<4>,4|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.8522	0.663	6	120.9228	1.938	49	120.6832	2.475	90	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[5,6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H)	C[6a](C[6]C[6,6a]C[5,6]H)(C[6a]C[6a]H)2{1|C<4>,1|H<1>,2|O<2>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,1|O<2>,4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.3260	2.066	2	120.1231	3.408	23	120.6832	2.475	90	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[5,6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H)	C[6a](C[6]C[6,6a]C[5,6]H)(C[6a]C[6a]H)2{1|C<4>,1|H<1>,2|O<2>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,2|C<4>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.1516	1.792	18	120.1231	3.408	23	120.6832	2.475	90	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[5,6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H)	C[6a](C[6]C[6,6a]C[5,6]H)(C[6a]C[6a]H)2{1|H<1>,2|C<4>,2|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H){1|O<2>,2|C<4>,4|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.0105	3.935	2	120.1231	3.408	23	120.6832	2.475	90	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[5,6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H)	C[6a](C[6]C[6,6a]C[5,6]H)(C[6a]C[6a]H)2{1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H){2|C<4>,2|O<2>,4|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	119.4290	0.000	1	120.1231	3.408	23	120.6832	2.475	90	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[5,6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]O)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H)	C[6a](C[6]C[6,6a]C[5,6]H)(C[6a]C[6a]H)2{1|C<4>,3|O<2>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]O)(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,2|C<4>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.9390	2.236	2	120.9390	4.999	2	120.6832	2.475	90	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[5,6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5]C)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H)	C[6a](C[6]C[6,6a]C[5,6]H)(C[6a]C[6a]H)2{1|N<2>,3|C<4>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5]C)(C[6a]C[6a]2)(H){1|C<4>,2|O<2>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.6095	2.131	2	120.6095	4.539	2	120.6832	2.475	90	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[5,6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]C)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[5,6]H)(C[6a]C[6a]H)2{1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]C)(C[6a]C[6a]2)(H){1|O<2>,4|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.9070	3.427	2	120.9070	11.742	2	120.6832	2.475	90	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[5,6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H)	C[6a](C[6]C[6,6a]C[5,6]H)(C[6a]C[6a]H)2{1|C<4>,1|H<1>,3|C<3>,3|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H)(C[6a]C[6a]2)(H){2|C<4>,4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.1550	2.512	2	120.1550	6.308	2	120.6832	2.475	90	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[5,6]O)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[5,6]O)(C[6a]C[6a]H)2{1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(O){2|C<4>,2|O<2>,4|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	122.4450	0.000	1	122.4450	0.000	1	121.2360	2.923	2	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[5,6]O)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H)	C[6a](C[6]C[6,6a]C[5,6]O)(C[6a]C[6a]H)2{1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(O){2|C<4>,2|O<2>,4|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	120.0270	0.000	1	120.0270	0.000	1	121.2360	2.923	2	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6]C[6]3)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]H)2{1|C<4>,1|H<1>,1|O<2>,5|C<3>}	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6]C[6]3)(C[6a]C[6a]2)(H){2|O<1>,3|H<1>,3|N<3>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	119.0140	0.000	1	119.0140	0.000	1	120.9188	2.977	38	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6]C[6]3)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H)	C[6a](C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]H)2{1|C<4>,1|H<1>,1|O<2>,5|C<3>}	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6]C[6]3)(C[6a]C[6a]2)(H){2|O<1>,3|H<1>,3|N<3>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H){1|C<4>,2|C<3>,3|H<1>}	121.0420	0.000	1	121.0420	0.000	1	120.9188	2.977	38	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H)	C[6a](C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]H)2{1|H<1>,3|C<3>,4|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<2>,5|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.9038	2.021	4	120.9038	4.084	4	120.9188	2.977	38	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Cl)(H)	C[6a](C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]H)2{1|Cl<1>,1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(H){2|C<4>,2|O<1>,2|O<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Cl)(H){1|C<4>,2|C<3>,3|H<1>}	122.9310	0.085	2	122.9310	0.007	2	120.9188	2.977	38	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]H)2{1|C<4>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(H){1|C<4>,5|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	121.5055	1.771	2	120.7781	2.275	12	120.9188	2.977	38	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]H)2{1|C<4>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(H){1|O<1>,2|C<4>,2|O<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.9495	0.043	2	120.7781	2.275	12	120.9188	2.977	38	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]H)2{1|Cl<1>,1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(H){2|C<4>,2|O<1>,2|O<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	118.8750	0.206	2	120.7781	2.275	12	120.9188	2.977	38	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(H){2|C<4>,2|O<2>,4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.5900	3.130	2	120.7781	2.275	12	120.9188	2.977	38	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(H){3|O<2>,5|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	121.3743	0.856	4	120.7781	2.275	12	120.9188	2.977	38	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6]C)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]H)2{1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6]C)(C[6a]C[6a]2)(H){1|C<4>,4|H<1>,7|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.9595	1.407	4	120.9595	1.980	4	120.9188	2.977	38	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H)	C[6a](C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]H)2{3|C<4>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)(C[6a]C[6a]2)(H){1|C<4>,1|O<2>,2|O<1>,5|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.8675	1.728	4	120.9079	6.517	8	120.9188	2.977	38	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H)	C[6a](C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]H)2{3|C<4>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)(C[6a]C[6a]2)(H){1|O<2>,2|C<4>,2|O<1>,4|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.9483	3.495	4	120.9079	6.517	8	120.9188	2.977	38	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6]H)(C[6a]C[6a]2)(H){2|C<4>,5|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.9960	2.253	2	120.9960	5.075	2	120.9188	2.977	38	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(H){1|N<3>,1|O<2>,5|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	120.4705	0.264	2	120.4705	0.070	2	120.9188	2.977	38	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6]3)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,5|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6]3)(C[6a]C[6a]2)(H){2|O<1>,3|H<1>,3|N<3>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	121.0050	1.937	2	121.0050	3.754	2	120.9188	2.977	38	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(C[6a]C[6a]2)(H)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[6])(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|O<2>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(C[6a]C[6a]2)(H){3|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[6])(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	121.2820	0.000	1	121.2820	0.000	1	121.2820	0.000	1	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H){1|Cl<1>,1|C<4>,1|N<3>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	122.3750	0.000	1	122.3750	0.000	1	122.3750	0.000	1	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[5,6a]H)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|O<2>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(C[6a]C[6a]2)(H){3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[5,6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	119.4480	0.000	1	119.4480	0.000	1	120.9544	2.315	97	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]C[5])(C[6a]C[6a]H){3|C<3>,3|C<4>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]2)(H){2|C<4>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	117.8710	0.000	1	117.8710	0.000	1	120.9544	2.315	97	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H){1|Cl<1>,1|C<4>,1|N<3>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,1|H<1>,1|N<3>,2|C<3>}	122.9460	0.000	1	122.9460	0.000	1	120.9544	2.315	97	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]CH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|C<4>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]CH)(C[6a]C[6a]2)(H){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	121.0165	3.290	2	121.0165	10.825	2	120.9544	2.315	97	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]BrH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|Br<1>,1|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]BrH)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.9960	1.462	2	120.9960	2.138	2	120.9544	2.315	97	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{2|H<1>,3|C<3>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]2)(H){2|O<2>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.9065	1.829	2	120.8852	2.887	4	120.9544	2.315	97	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{2|H<1>,3|C<3>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]2)(H){3|H<1>,7|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.8640	2.305	2	120.8852	2.887	4	120.9544	2.315	97	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Cl)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|Cl<1>,1|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]2)(H){2|C<4>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Cl)(H){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	120.4340	0.000	1	120.4340	0.000	1	120.9544	2.315	97	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]2)(H){2|O<2>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.9625	1.541	2	120.9973	1.191	3	120.9544	2.315	97	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|Cl<1>,1|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]2)(H){2|C<4>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	121.0670	0.000	1	120.9973	1.191	3	120.9544	2.315	97	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{2|H<1>,3|C<3>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]2)(H){2|O<2>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	121.2335	1.084	2	121.2335	1.175	2	120.9544	2.315	97	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]2)(H){1|C<4>,2|O<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	121.0503	1.614	4	120.9196	2.282	16	120.9544	2.315	97	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]2)(H){1|C<4>,2|O<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.6210	1.860	4	120.9196	2.282	16	120.9544	2.315	97	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]2)(H){1|C<4>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.9605	1.382	2	120.9196	2.282	16	120.9544	2.315	97	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]2)(H){1|O<2>,4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.8040	2.922	2	120.9196	2.282	16	120.9544	2.315	97	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]2)(H){2|O<2>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	121.1870	2.195	2	120.9196	2.282	16	120.9544	2.315	97	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]2)(H){2|O<2>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	121.0630	0.366	2	120.9196	2.282	16	120.9544	2.315	97	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]ClC)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|Cl<1>,1|C<2>,1|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]ClC)(C[6a]C[6a]2)(H){1|N<2>,2|O<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	121.0615	2.221	2	121.0615	4.933	2	120.9544	2.315	97	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]2C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{2|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]2C[6])(C[6a]C[6a]2)(H){1|N<2>,3|H<1>,9|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	121.9670	1.751	2	121.9670	3.065	2	120.9544	2.315	97	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|H<1>,2|C<4>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.9115	0.112	2	120.8322	1.829	6	120.9544	2.315	97	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|H<1>,3|C<4>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H){1|O<2>,4|H<1>,7|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.7925	1.743	4	120.8322	1.829	6	120.9544	2.315	97	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|C<4>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H){1|C<4>,5|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|F<1>,2|C<3>,2|H<1>}	120.9840	0.426	2	121.1599	3.082	24	120.9544	2.315	97	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|C<4>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H){1|C<4>,5|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	121.6440	0.694	2	121.1599	3.082	24	120.9544	2.315	97	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|C<4>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H){1|C<4>,5|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.8590	0.143	2	121.1599	3.082	24	120.9544	2.315	97	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|C<4>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H){1|O<2>,4|H<1>,7|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.9410	1.117	4	121.1599	3.082	24	120.9544	2.315	97	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|C<4>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H){1|O<2>,4|H<1>,7|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	121.0540	1.789	2	121.1599	3.082	24	120.9544	2.315	97	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{3|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	121.1245	1.856	2	121.1599	3.082	24	120.9544	2.315	97	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{3|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H){3|H<1>,8|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	121.2192	2.494	6	121.1599	3.082	24	120.9544	2.315	97	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{3|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H){3|H<1>,8|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	121.3570	3.033	4	121.1599	3.082	24	120.9544	2.315	97	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|N<3>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(C[6a]C[6a]2)(H){1|C<4>,1|F<1>,2|H<1>,7|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.9665	1.991	2	120.9692	3.257	6	120.9544	2.315	97	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|N<3>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(C[6a]C[6a]2)(H){1|C<4>,3|H<1>,7|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.9705	2.027	4	120.9692	3.257	6	120.9544	2.315	97	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|O<2>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]H)(C[6a]C[6a]2)(H){1|C<4>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<2>,1|C<4>,2|C<3>,2|H<1>}	120.7685	1.353	2	120.8023	0.769	6	120.9544	2.315	97	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|O<2>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]H)(C[6a]C[6a]2)(H){1|C<4>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.8192	0.819	4	120.8023	0.769	6	120.9544	2.315	97	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[3,6]CH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[3,6]CH)(C[6a]C[6a]2)(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	121.0042	0.709	4	120.8528	0.913	6	120.9544	2.315	97	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[3,6]CH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[3,6]CH)(C[6a]C[6a]2)(H){1|O<2>,2|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.5500	1.667	2	120.8528	0.913	6	120.9544	2.315	97	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]C[6a]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|N<3>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]C[6a]H)(C[6a]C[6a]2)(H){2|C<4>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.6765	1.821	2	120.6765	3.315	2	120.9544	2.315	97	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6a]O[6]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|N<2>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6a]O[6]H)(C[6a]C[6a]2)(H){2|H<1>,7|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.8145	1.069	6	120.8145	1.142	6	120.9544	2.315	97	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]HH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{4|C<3>,4|H<1>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]HH)(C[6a]C[6a]2)(H){1|N<2>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	120.8150	2.651	4	120.8150	7.027	4	120.9544	2.315	97	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:P[6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]P[6]H)(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(P[6]C[6a]C[6]S)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]P[6]H)(C[6a]C[6a]H)2{1|S<1>,2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(P[6]C[6a]C[6]S)(C[6a]C[6a]2)(H){4|H<1>,7|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|P<4>,2|C<3>,3|H<1>}	120.9153	2.568	4	120.9153	6.593	4	120.9153	6.593	4	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H){1|Cl<1>,1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	122.4325	0.033	2	122.5648	0.109	4	122.0500	0.914	8	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H){1|Cl<1>,1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	122.6970	0.505	2	122.5648	0.109	4	122.0500	0.914	8	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]N)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]N)(H){1|Cl<1>,1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	122.1350	1.583	2	122.1350	2.504	2	122.0500	0.914	8	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(N[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(N[6]C[6]C)(H){1|Cl<1>,1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.9355	0.097	2	120.9355	0.009	2	122.0500	0.914	8	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]F)(C[6a]C[6a]H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(F)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]F)(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H){1|C<4>,1|F<1>,1|H<1>,1|N<3>,1|O<2>,1|S<1>,2|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(F){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	122.8680	0.000	1	122.8680	0.000	1	122.2627	1.263	3	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]F)2	C[6](C[6a]C[6a]2)(C[6]C[6]HO)(N[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]F)(F)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]F)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>,2|F<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HO)(N[6]C[6]C)(H){1|C<4>,2|C<3>,2|F<1>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]F)(F){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|F<1>}	121.9600	1.406	2	121.9600	1.976	2	122.2627	1.263	3	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	121.8200	0.000	1	121.8200	0.000	1	120.8426	3.472	765	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(N[6]C[6]H)(H){2|C<3>,2|C<4>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	120.6520	0.000	1	120.6520	0.000	1	120.8426	3.472	765	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(N[6]C[6]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,1|N<4>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(N[6]C[6]2)(H){1|N<3>,3|C<3>,3|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	116.0400	0.000	1	116.0400	0.000	1	120.8426	3.472	765	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(N[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(N[6]C[6]C)(H){2|C<3>,3|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	119.4615	0.490	2	119.4615	0.240	2	120.8426	3.472	765	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(N[6]C[6]H)(H){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	120.6000	0.000	1	120.6000	0.000	1	120.8426	3.472	765	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H){1|Cl<1>,1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	121.2410	1.201	2	121.1115	1.055	4	120.8426	3.472	765	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H){1|Cl<1>,1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	120.9820	1.287	2	121.1115	1.055	4	120.8426	3.472	765	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]N)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]N)(H){1|Cl<1>,1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	121.2710	1.571	2	121.2710	2.469	2	120.8426	3.472	765	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(N[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(N[6]C[6]C)(H){1|Cl<1>,1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	121.9535	0.218	2	121.9535	0.048	2	120.8426	3.472	765	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]F)(C[6a]C[6a]H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]F)(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H){1|C<4>,1|F<1>,1|H<1>,1|N<3>,1|O<2>,1|S<1>,2|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|F<1>,1|N<3>,2|H<1>}	120.0360	0.000	1	120.0360	0.000	1	120.8426	3.472	765	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]I)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]I){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H){1|I<1>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|I<1>,1|N<3>,2|H<1>}	118.6695	0.012	2	118.6695	0.000	2	120.8426	3.472	765	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){2|C<3>,3|C<4>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	122.9480	0.000	1	119.4194	7.020	5	120.8426	3.472	765	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){2|C<4>,3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	118.5373	2.043	4	119.4194	7.020	5	120.8426	3.472	765	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|O<2>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	120.7700	0.000	1	120.3577	0.155	3	120.8426	3.472	765	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	120.1515	0.233	2	120.3577	0.155	3	120.8426	3.472	765	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,1|S<1>,2|C<3>,2|O<2>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|O<2>}	118.1430	0.000	1	118.9100	0.442	3	120.8426	3.472	765	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	119.2935	0.032	2	118.9100	0.442	3	120.8426	3.472	765	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H){1|N<3>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	122.2770	0.000	1	122.2770	0.000	1	120.8426	3.472	765	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,2|C<3>,5|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>,3|C<4>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	122.4960	0.738	2	122.4960	0.545	2	120.8426	3.472	765	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]N[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,1|N<2>,2|C<4>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]N[6]C)(H){1|H<1>,1|N<2>,1|O<2>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	122.7500	0.000	1	122.7500	0.000	1	120.8426	3.472	765	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(N[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(N[6]C[6]C)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,1|S<4>,2|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	122.2060	0.000	1	122.2060	0.000	1	120.8426	3.472	765	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6](C[6a]C[6a]2)(C[6]S[6]CH)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|S<4>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]S[6]CH)(N[6]C[6]H)(H){1|C<4>,1|O<2>,2|C<3>,2|O<1>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	123.0160	0.000	1	123.0160	0.000	1	120.8426	3.472	765	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]N[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|N<2>,1|N<3>,3|H<1>}	122.9790	0.000	1	122.9790	0.000	1	120.8426	3.472	765	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(N[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>,5|C<4>}	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(N[6]C[6]C)(H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.7235	1.326	2	121.2573	17.535	26	120.8426	3.472	765	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(N[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{2|C<3>,2|H<1>,4|C<4>}	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(N[6]C[6]C)(H){1|C<4>,3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	121.1210	5.981	2	121.2573	17.535	26	120.8426	3.472	765	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(N[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{2|H<1>,3|C<3>,3|C<4>}	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(N[6]C[6]C)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|F<1>,1|N<3>,2|H<1>}	121.1250	5.868	2	121.2573	17.535	26	120.8426	3.472	765	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(N[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{2|H<1>,3|C<3>,3|C<4>}	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(N[6]C[6]C)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	121.4587	4.658	6	121.2573	17.535	26	120.8426	3.472	765	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(N[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{2|H<1>,3|C<3>,3|C<4>}	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(N[6]C[6]C)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	121.2284	4.529	12	121.2573	17.535	26	120.8426	3.472	765	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(N[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{2|H<1>,3|C<3>,3|C<4>}	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(N[6]C[6]C)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	121.6285	5.580	2	121.2573	17.535	26	120.8426	3.472	765	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<2>,1|C<4>,3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(N[6]C[6]H)(H){1|N<2>,1|S<1>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	120.8110	1.049	2	120.9740	0.498	10	120.8426	3.472	765	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{2|C<3>,3|C<4>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(N[6]C[6]H)(H){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	121.0560	1.328	2	120.9740	0.498	10	120.8426	3.472	765	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{2|C<3>,3|C<4>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(N[6]C[6]H)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	121.2430	0.781	2	120.9740	0.498	10	120.8426	3.472	765	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{2|C<3>,3|C<4>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(N[6]C[6]H)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	121.0355	0.012	2	120.9740	0.498	10	120.8426	3.472	765	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{2|C<3>,3|C<4>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(N[6]C[6]H)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	120.7245	0.817	2	120.9740	0.498	10	120.8426	3.472	765	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(N[6]C[6]N)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|N<2>,2|C<3>,2|H<1>,3|C<4>}	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(N[6]C[6]N)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	121.6525	6.556	2	121.6525	42.976	2	120.8426	3.472	765	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(N[6]C[6]S)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<3>,1|S<4>,2|C<2>,2|C<4>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(N[6]C[6]S)(H){1|C<4>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.4585	2.360	2	120.4585	5.568	2	120.8426	3.472	765	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(N[6]O[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(N[6]O[6]C)(H){2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	119.9543	3.239	4	119.9543	10.494	4	120.8426	3.472	765	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<3>,3|H<1>,4|C<4>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.6850	1.607	6	120.9812	3.092	134	120.8426	3.472	765	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<3>,3|H<1>,4|C<4>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H){1|C<4>,3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	121.0772	1.136	9	120.9812	3.092	134	120.8426	3.472	765	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{2|C<3>,3|C<4>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	121.2315	0.237	2	120.9812	3.092	134	120.8426	3.472	765	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{2|C<3>,3|C<4>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.8740	0.597	22	120.9812	3.092	134	120.8426	3.472	765	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{2|C<3>,3|C<4>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	120.9945	1.050	2	120.9812	3.092	134	120.8426	3.472	765	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{2|C<3>,3|C<4>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	121.0190	0.328	2	120.9812	3.092	134	120.8426	3.472	765	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{2|C<3>,3|C<4>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H){1|C<4>,3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	121.1308	2.936	8	120.9812	3.092	134	120.8426	3.472	765	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.9125	4.559	2	120.9812	3.092	134	120.8426	3.472	765	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	121.0115	1.935	4	120.9812	3.092	134	120.8426	3.472	765	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	120.9447	1.216	4	120.9812	3.092	134	120.8426	3.472	765	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	121.1393	1.625	21	120.9812	3.092	134	120.8426	3.472	765	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.8860	2.239	42	120.9812	3.092	134	120.8426	3.472	765	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	121.1515	0.676	4	120.9812	3.092	134	120.8426	3.472	765	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	121.1215	1.991	4	120.9812	3.092	134	120.8426	3.472	765	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H){1|C<4>,3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	121.5200	2.828	2	120.9812	3.092	134	120.8426	3.472	765	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|H<1>,2|C<4>,2|O<2>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	119.9225	0.364	2	119.9225	0.133	2	120.8426	3.472	765	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]F)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|F<1>,3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]F)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	119.0810	0.000	1	119.8207	0.418	3	120.8426	3.472	765	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]F)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|F<1>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]F)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.1905	0.121	2	119.8207	0.418	3	120.8426	3.472	765	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<3>,3|C<4>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H){1|C<4>,3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.9904	1.443	5	120.7871	0.946	77	120.8426	3.472	765	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|F<1>,3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	121.5390	0.000	1	120.7871	0.946	77	120.8426	3.472	765	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|F<1>,1|N<3>,2|H<1>}	120.7208	0.704	4	120.7871	0.946	77	120.8426	3.472	765	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|N<3>}	120.2264	0.651	10	120.7871	0.946	77	120.8426	3.472	765	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	120.4125	0.327	4	120.7871	0.946	77	120.8426	3.472	765	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H){1|C<4>,1|N<3>,1|O<2>,1|S<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|F<1>,1|N<3>,2|H<1>}	120.2935	2.737	2	120.7871	0.946	77	120.8426	3.472	765	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.6230	0.512	6	120.7871	0.946	77	120.8426	3.472	765	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	121.0305	2.156	2	120.7871	0.946	77	120.8426	3.472	765	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H){1|N<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.6435	2.860	2	120.7871	0.946	77	120.8426	3.472	765	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|F<1>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	121.1525	0.080	2	120.7871	0.946	77	120.8426	3.472	765	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	121.3140	0.000	1	120.7871	0.946	77	120.8426	3.472	765	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	120.9840	0.018	2	120.7871	0.946	77	120.8426	3.472	765	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.8492	0.867	4	120.7871	0.946	77	120.8426	3.472	765	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|F<1>,1|N<3>,2|H<1>}	120.7515	1.187	8	120.7871	0.946	77	120.8426	3.472	765	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	121.2310	0.488	6	120.7871	0.946	77	120.8426	3.472	765	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.8495	0.265	8	120.7871	0.946	77	120.8426	3.472	765	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	121.1075	0.301	2	120.7871	0.946	77	120.8426	3.472	765	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	121.1815	1.996	2	120.7871	0.946	77	120.8426	3.472	765	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H){1|C<4>,3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	120.8580	0.447	2	120.7871	0.946	77	120.8426	3.472	765	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	120.8255	1.712	2	120.7871	0.946	77	120.8426	3.472	765	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H){2|C<3>,2|C<4>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	121.2605	2.682	2	120.7871	0.946	77	120.8426	3.472	765	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.4310	0.000	1	120.4310	0.000	1	120.8426	3.472	765	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]N)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|N<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]N)(H){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.7800	4.633	2	120.9176	8.455	8	120.8426	3.472	765	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]N)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|N<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]N)(H){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	120.9340	2.018	4	120.9176	8.455	8	120.8426	3.472	765	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]N)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|N<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]N)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	121.0225	5.044	2	120.9176	8.455	8	120.8426	3.472	765	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]O[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]O[6]C)(H){2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	120.6295	4.515	2	120.6295	20.384	2	120.8426	3.472	765	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]CO)(N[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CO)(N[6]C[6]C)(H){1|N<3>,2|C<3>,2|H<1>,2|O<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.7922	3.165	4	120.7922	10.016	4	120.8426	3.472	765	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]CO)(N[6]C[6]S)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<2>,1|C<3>,1|O<2>,1|S<4>,2|C<4>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CO)(N[6]C[6]S)(H){1|C<4>,2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.8790	6.026	2	120.8790	36.312	2	120.8426	3.472	765	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]FF)(N[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<3>,2|F<1>,2|H<1>,3|C<4>}	C[6](C[6a]C[6a]2)(C[6]C[6]FF)(N[6]C[6]C)(H){1|C<4>,2|C<3>,2|F<1>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	120.3795	0.985	2	120.3795	0.970	2	120.8426	3.472	765	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H){2|C<3>,2|C<4>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	121.6260	0.000	1	120.1585	4.307	2	120.8426	3.472	765	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{2|C<3>,3|C<4>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H){1|C<4>,2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	118.6910	0.000	1	120.1585	4.307	2	120.8426	3.472	765	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]F)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|F<1>,3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]F)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	118.9615	0.558	2	118.9615	0.311	2	120.8426	3.472	765	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H){2|C<3>,2|C<4>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	119.7270	0.000	1	120.9209	3.160	168	120.8426	3.472	765	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<3>,3|C<4>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H){1|C<4>,3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.9701	0.590	10	120.9209	3.160	168	120.8426	3.472	765	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<3>,3|C<4>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H){1|Cl<1>,1|C<4>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|N<3>}	120.4320	0.624	2	120.9209	3.160	168	120.8426	3.472	765	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|F<1>,3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	121.8640	1.451	2	120.9209	3.160	168	120.8426	3.472	765	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.5270	1.710	2	120.9209	3.160	168	120.8426	3.472	765	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.7585	4.711	2	120.9209	3.160	168	120.8426	3.472	765	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|F<1>,1|N<3>,2|H<1>}	120.6030	1.764	2	120.9209	3.160	168	120.8426	3.472	765	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	121.2482	2.111	24	120.9209	3.160	168	120.8426	3.472	765	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.7321	1.777	38	120.9209	3.160	168	120.8426	3.472	765	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	121.4552	2.797	6	120.9209	3.160	168	120.8426	3.472	765	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	121.2885	2.455	4	120.9209	3.160	168	120.8426	3.472	765	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H){1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.8139	2.509	14	120.9209	3.160	168	120.8426	3.472	765	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H){1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	121.2255	3.525	2	120.9209	3.160	168	120.8426	3.472	765	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H){2|H<1>,2|O<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	121.8565	0.125	2	120.9209	3.160	168	120.8426	3.472	765	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H){1|C<4>,1|F<1>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	121.5925	2.433	4	120.9209	3.160	168	120.8426	3.472	765	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H){1|C<4>,1|F<1>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	121.3650	2.243	2	120.9209	3.160	168	120.8426	3.472	765	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H){1|C<4>,1|F<1>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	121.2000	2.041	2	120.9209	3.160	168	120.8426	3.472	765	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	121.2130	0.617	2	120.9209	3.160	168	120.8426	3.472	765	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.7382	0.336	18	120.9209	3.160	168	120.8426	3.472	765	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	121.0245	1.070	2	120.9209	3.160	168	120.8426	3.472	765	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.9600	0.020	2	120.9209	3.160	168	120.8426	3.472	765	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H){1|C<4>,3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	120.5580	1.693	2	120.9209	3.160	168	120.8426	3.472	765	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H){1|C<4>,3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.7658	1.757	14	120.9209	3.160	168	120.8426	3.472	765	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.3127	2.801	4	120.9209	3.160	168	120.8426	3.472	765	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H){2|C<3>,3|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.1640	0.924	4	120.9209	3.160	168	120.8426	3.472	765	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{2|C<3>,3|C<4>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H){1|C<4>,2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	122.7650	0.000	1	120.9209	3.160	168	120.8426	3.472	765	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,2|O<2>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	120.1905	4.246	2	120.1905	18.030	2	120.8426	3.472	765	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Cl)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|Cl<1>,1|C<3>,2|C<4>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(H){1|O<2>,3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Cl)(H){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	118.2000	0.000	1	118.2000	0.000	1	120.8426	3.472	765	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]F)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|F<1>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]F)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.5665	0.052	2	120.5665	0.003	2	120.8426	3.472	765	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,5|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(H){1|C<4>,3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	121.1590	0.427	3	120.8787	2.354	91	120.8426	3.472	765	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,5|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(H){1|C<4>,3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	121.0850	0.243	6	120.8787	2.354	91	120.8426	3.472	765	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,5|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(H){1|Cl<1>,1|C<4>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	121.0570	0.496	2	120.8787	2.354	91	120.8426	3.472	765	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,5|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(H){2|C<3>,2|C<4>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	120.7580	0.298	2	120.8787	2.354	91	120.8426	3.472	765	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|F<1>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	121.2470	0.054	2	120.8787	2.354	91	120.8426	3.472	765	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	119.3430	0.000	1	120.8787	2.354	91	120.8426	3.472	765	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,5|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(H){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	121.2040	2.711	2	120.8787	2.354	91	120.8426	3.472	765	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,5|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(H){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.7862	2.359	6	120.8787	2.354	91	120.8426	3.472	765	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,5|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(H){1|C<4>,1|N<3>,1|O<2>,1|S<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.5965	1.180	2	120.8787	2.354	91	120.8426	3.472	765	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,5|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.6360	1.874	2	120.8787	2.354	91	120.8426	3.472	765	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,5|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|F<1>,1|N<3>,2|H<1>}	120.7232	1.170	6	120.8787	2.354	91	120.8426	3.472	765	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,5|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	121.3200	1.497	6	120.8787	2.354	91	120.8426	3.472	765	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,5|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.7258	1.242	16	120.8787	2.354	91	120.8426	3.472	765	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,5|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	120.7745	0.794	6	120.8787	2.354	91	120.8426	3.472	765	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,5|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	121.0990	1.499	4	120.8787	2.354	91	120.8426	3.472	765	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,5|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.8167	2.419	4	120.8787	2.354	91	120.8426	3.472	765	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,5|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	120.6660	2.343	2	120.8787	2.354	91	120.8426	3.472	765	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,5|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(H){1|N<3>,1|O<2>,1|S<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	120.9055	3.574	2	120.8787	2.354	91	120.8426	3.472	765	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,5|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(H){1|N<3>,1|S<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	121.1595	1.354	2	120.8787	2.354	91	120.8426	3.472	765	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,5|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(H){1|N<3>,1|S<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.8750	2.868	2	120.8787	2.354	91	120.8426	3.472	765	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,5|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(H){1|N<3>,1|S<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	120.8935	1.300	2	120.8787	2.354	91	120.8426	3.472	765	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,5|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.6434	2.499	8	120.8787	2.354	91	120.8426	3.472	765	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,5|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(H){1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.4340	3.683	2	120.8787	2.354	91	120.8426	3.472	765	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|Cl<1>,1|C<3>,2|C<4>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(H){1|O<2>,3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	123.7230	0.000	1	120.8787	2.354	91	120.8426	3.472	765	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	121.9910	0.000	1	121.9910	0.000	1	120.8426	3.472	765	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]N)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]N)(H){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.3930	2.942	2	120.8507	2.536	6	120.8426	3.472	765	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]N)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]N)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	121.0795	1.064	4	120.8507	2.536	6	120.8426	3.472	765	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]S)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<3>,1|S<4>,2|H<1>,4|C<4>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]S)(H){2|C<3>,2|C<4>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.6610	1.960	2	120.6610	3.842	2	120.8426	3.472	765	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]S)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<3>,1|S<4>,2|C<4>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]S)(H){1|Br<1>,1|C<4>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|N<3>}	120.6790	0.238	2	120.8737	5.518	58	120.8426	3.472	765	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]S)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<3>,1|S<4>,2|C<4>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]S)(H){1|C<4>,1|F<1>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|F<1>,1|N<3>,2|H<1>}	120.9165	0.846	2	120.8737	5.518	58	120.8426	3.472	765	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]S)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<3>,1|S<4>,2|C<4>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]S)(H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.5187	1.493	4	120.8737	5.518	58	120.8426	3.472	765	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]S)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<3>,1|S<4>,2|C<4>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]S)(H){1|C<4>,1|S<2>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	121.0780	4.219	2	120.8737	5.518	58	120.8426	3.472	765	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]S)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<3>,1|S<4>,2|C<4>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]S)(H){1|C<4>,2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	120.6640	0.931	2	120.8737	5.518	58	120.8426	3.472	765	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]S)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<3>,1|S<4>,2|C<4>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]S)(H){1|C<4>,2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	121.4010	3.615	2	120.8737	5.518	58	120.8426	3.472	765	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]S)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<3>,1|S<4>,2|C<4>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]S)(H){1|C<4>,2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	121.0065	1.702	2	120.8737	5.518	58	120.8426	3.472	765	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]S)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<3>,1|S<4>,2|C<4>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]S)(H){1|C<4>,2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	120.8705	1.303	2	120.8737	5.518	58	120.8426	3.472	765	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]S)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<3>,1|S<4>,2|C<4>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]S)(H){1|C<4>,3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	121.0883	1.720	4	120.8737	5.518	58	120.8426	3.472	765	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]S)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<3>,1|S<4>,2|C<4>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]S)(H){1|Cl<1>,1|C<4>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	121.3680	3.270	2	120.8737	5.518	58	120.8426	3.472	765	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]S)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<3>,1|S<4>,2|C<4>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]S)(H){2|C<3>,2|C<4>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	121.3300	4.018	2	120.8737	5.518	58	120.8426	3.472	765	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]S)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<3>,1|S<4>,2|C<4>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]S)(H){2|C<3>,2|C<4>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.9217	2.390	6	120.8737	5.518	58	120.8426	3.472	765	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]S)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|S<3>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]S)(H){1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	121.0290	3.124	2	120.8737	5.518	58	120.8426	3.472	765	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]S)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|S<4>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]S)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.8584	2.679	8	120.8737	5.518	58	120.8426	3.472	765	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]S)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|S<4>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]S)(H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.8360	4.434	2	120.8737	5.518	58	120.8426	3.472	765	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]S)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|S<4>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]S)(H){1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.7108	3.129	6	120.8737	5.518	58	120.8426	3.472	765	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]S)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|S<4>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]S)(H){1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|N<3>}	120.5640	5.807	2	120.8737	5.518	58	120.8426	3.472	765	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]S)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|S<4>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]S)(H){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.6420	3.162	4	120.8737	5.518	58	120.8426	3.472	765	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]S)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|S<4>,3|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]S)(H){1|O<1>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	120.7655	3.326	2	120.8737	5.518	58	120.8426	3.472	765	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]N[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]N[6]C)(H){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	121.1520	2.534	2	120.8606	2.597	8	120.8426	3.472	765	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]N[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]N[6]C)(H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.7635	1.519	6	120.8606	2.597	8	120.8426	3.472	765	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]N[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]N[6]H)(H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.6815	2.364	2	120.6815	5.588	2	120.8426	3.472	765	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]S[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<3>,1|S<4>,2|C<4>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]S[6]C)(H){1|C<4>,1|N<3>,2|C<3>,2|O<1>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.3225	2.606	2	120.5227	1.939	6	120.8426	3.472	765	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]S[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<3>,1|S<4>,2|C<4>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]S[6]C)(H){1|N<3>,2|O<1>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.6227	0.964	4	120.5227	1.939	6	120.8426	3.472	765	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]S[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|S<4>,5|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]S[6]H)(H){1|O<2>,2|C<3>,2|O<1>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.7417	2.201	4	120.7417	4.845	4	120.8426	3.472	765	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(N[6]C[6]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,3|C<4>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(N[6]C[6]2)(H){1|O<2>,2|C<3>,4|C<4>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.8650	0.528	2	120.8650	0.278	2	120.8426	3.472	765	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(N[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,3|C<4>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(N[6]C[6]C)(H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.6017	0.612	20	120.6017	0.374	20	120.8426	3.472	765	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(N[6]C[6]H)(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.3200	2.143	2	120.1120	2.197	4	120.8426	3.472	765	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(N[6]C[6]H)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	119.9040	1.352	2	120.1120	2.197	4	120.8426	3.472	765	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(N[6]O[6]S)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,1|O<2>,1|S<4>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(N[6]O[6]S)(H){2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.2200	1.756	2	120.2200	3.085	2	120.8426	3.472	765	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HO)(N[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HO)(N[6]C[6]C)(H){1|C<4>,2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	121.2275	3.038	2	121.2275	9.232	2	120.8426	3.472	765	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HO)(N[6]C[6]S)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<3>,1|O<2>,1|S<4>,2|C<4>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HO)(N[6]C[6]S)(H){2|C<3>,2|C<4>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	121.8450	0.061	2	121.8450	0.004	2	120.8426	3.472	765	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HS)(N[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|S<4>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HS)(N[6]C[6]C)(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.3640	2.341	2	120.4562	2.995	4	120.8426	3.472	765	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HS)(N[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|S<4>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HS)(N[6]C[6]C)(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.5485	1.863	2	120.4562	2.995	4	120.8426	3.472	765	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HS)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|S<2>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HS)(N[6]C[6]H)(H){1|N<3>,1|S<1>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.0895	1.944	4	120.7154	2.140	10	120.8426	3.472	765	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HS)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|S<2>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HS)(N[6]C[6]H)(H){1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|F<1>,1|N<3>,2|H<1>}	120.9800	0.576	4	120.7154	2.140	10	120.8426	3.472	765	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HS)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|S<2>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HS)(N[6]C[6]H)(H){1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	121.4380	2.010	2	120.7154	2.140	10	120.8426	3.472	765	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(N[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(N[6]C[6]C)(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|F<1>,1|N<3>,2|H<1>}	120.2965	2.013	2	120.2965	4.053	2	120.8426	3.472	765	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(N[6]C[6]H)(H){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	121.1145	0.561	2	121.1145	0.314	2	120.8426	3.472	765	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(N[6]C[6]O)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(N[6]C[6]O)(H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.9423	0.881	4	120.9423	0.775	4	120.8426	3.472	765	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(N[6]C[6]S)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,1|S<4>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(N[6]C[6]S)(H){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	121.0125	4.250	2	121.0125	18.066	2	120.8426	3.472	765	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]O[6]HH)(N[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]O[6]HH)(N[6]C[6]C)(H){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	121.2343	2.757	4	120.9175	4.326	12	120.8426	3.472	765	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]O[6]HH)(N[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]O[6]HH)(N[6]C[6]C)(H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.4865	1.340	2	120.9175	4.326	12	120.8426	3.472	765	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]O[6]HH)(N[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]O[6]HH)(N[6]C[6]C)(H){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	121.2120	2.465	2	120.9175	4.326	12	120.8426	3.472	765	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]O[6]HH)(N[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]O[6]HH)(N[6]C[6]C)(H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.5495	2.732	2	120.9175	4.326	12	120.8426	3.472	765	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]O[6]HH)(N[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]O[6]HH)(N[6]C[6]C)(H){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.7885	2.864	2	120.9175	4.326	12	120.8426	3.472	765	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]O[6]HH)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<2>,1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]O[6]HH)(N[6]C[6]H)(H){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|F<1>,1|N<3>,2|H<1>}	119.9595	0.200	2	119.9595	0.040	2	120.8426	3.472	765	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]O[6]HH)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<2>,1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]O[6]HH)(N[6]C[6]H)(H){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|F<1>,1|N<3>,2|H<1>}	120.6645	0.605	2	120.8624	0.699	10	120.8426	3.472	765	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]O[6]HH)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[6](C[6a]C[6a]2)(C[6]O[6]HH)(N[6]C[6]H)(H){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|N<3>}	121.4850	2.085	2	120.8624	0.699	10	120.8426	3.472	765	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]O[6]HH)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[6](C[6a]C[6a]2)(C[6]O[6]HH)(N[6]C[6]H)(H){1|P<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.5795	0.212	4	120.8624	0.699	10	120.8426	3.472	765	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]O[6]HH)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[6](C[6a]C[6a]2)(C[6]O[6]HH)(N[6]C[6]H)(H){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	121.0035	0.484	2	120.8624	0.699	10	120.8426	3.472	765	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]O[6]HH)(N[6]C[6]O)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,2|O<2>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]O[6]HH)(N[6]C[6]O)(H){3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.8237	1.925	6	120.8237	3.705	6	120.8426	3.472	765	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]O[6]HH)(N[6]C[6]S)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|O<2>,1|S<4>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]O[6]HH)(N[6]C[6]S)(H){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.8620	4.031	2	120.8620	16.245	2	120.8426	3.472	765	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]O[6]HH)(N[6]N[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]O[6]HH)(N[6]N[6]C)(H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.6195	3.649	2	120.6195	13.318	2	120.8426	3.472	765	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]O[6]HO)(N[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]O[6]HO)(N[6]C[6]C)(H){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|F<1>,1|N<3>,2|H<1>}	119.8060	2.045	2	119.8060	4.182	2	120.8426	3.472	765	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]S[6]CH)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|S<4>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]S[6]CH)(N[6]C[6]H)(H){1|C<4>,2|O<1>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.2555	0.207	4	120.2555	0.043	4	120.8426	3.472	765	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6a]-3:I-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]I)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(I)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]I){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H){1|I<1>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(I){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	124.1640	0.576	2	124.1640	0.331	2	124.1640	0.331	2	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:P[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]P[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(P[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]P[6]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(P[6]C[6]C)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|P<3>,3|H<1>}	120.9960	0.502	4	120.9960	0.252	4	120.9960	0.252	4	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:P[6]-4:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]N[6]P[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(P[6]O[6]HO)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]N[6]P[6]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	C[6](C[6a]C[6a]2)(P[6]O[6]HO)(N[6]C[6]H)(H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,1|P<4>,3|H<1>}	120.6475	2.057	2	120.6475	4.231	2	120.6475	4.231	2	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	Ga[6]-3:C[6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]Ga[6]C[6]H)(C[6a]C[6a]H)2	C[6](Ga[6]C[6a]C[6])(C[6]Ga[6]HH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]Ga[6]C[6]H)(C[6a]C[6a]H)2{1|Ga<3>,1|C<4>,2|C<3>,4|H<1>}	C[6](Ga[6]C[6a]C[6])(C[6]Ga[6]HH)(C[6a]C[6a]2)(H){1|C<4>,4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Ga<3>,1|C<3>,1|C<4>,3|H<1>}	121.0030	1.829	2	121.0030	3.344	2	121.0030	3.344	2	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[5,6]-3:C[6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]H)2	C[6](N[5,6]C[4,5,6]C[5,6a])(C[6]C[5]C[6]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]H)2{2|C<3>,3|C<4>,3|H<1>}	C[6](N[5,6]C[4,5,6]C[5,6a])(C[6]C[5]C[6]H)(C[6a]C[6a]2)(H){1|N<3>,3|C<4>,4|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	121.4345	5.683	2	120.9756	4.783	8	120.9137	4.984	24	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[5,6]-3:C[6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]H)2	C[6](N[5,6]C[4,5,6]C[5,6a])(C[6]C[5]C[6]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	C[6](N[5,6]C[4,5,6]C[5,6a])(C[6]C[5]C[6]H)(C[6a]C[6a]2)(H){1|N<2>,3|C<4>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.8227	0.353	6	120.9756	4.783	8	120.9137	4.984	24	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[5,6]-3:C[6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]H)2	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]H)2{4|C<3>,4|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(C[6a]C[6a]2)(H){1|Rh<6>,1|N<3>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	121.0590	2.299	8	121.0590	5.283	8	120.9137	4.984	24	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[5,6]-3:C[6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]H)2	C[6](N[5,6]C[5,6]C[5])(C[6]C[6a]N[6]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]H)2{1|N<3>,3|H<1>,4|C<3>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6a]N[6]H)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|S<4>,2|H<1>,2|N<2>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.7585	2.985	4	120.7585	8.907	4	120.9137	4.984	24	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[5,6]-3:C[6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]H)2	C[6](N[5,6]N[5,6]C[5])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H)	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|H<1>,3|C<4>}	C[6](N[5,6]N[5,6]C[5])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H){1|C<4>,5|H<1>,7|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	121.2850	0.000	1	121.2850	0.000	1	120.9137	4.984	24	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[5,6]-3:C[6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]H)2	C[6](N[5,6]N[5,6]C[5])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6](N[5,6]N[5,6]C[5])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H){1|O<2>,2|C<4>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.9205	3.871	2	120.4443	8.174	3	120.9137	4.984	24	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[5,6]-3:C[6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]H)2	C[6](N[5,6]N[5,6]C[5])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|H<1>,3|C<4>}	C[6](N[5,6]N[5,6]C[5])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H){1|C<4>,5|H<1>,7|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	119.4920	0.000	1	120.4443	8.174	3	120.9137	4.984	24	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[5a,6]-3:C[6,6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]N[5a,6]C[6,6]H)(C[6a]C[6a]H)2	C[6](N[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]C[6]O)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]N[5a,6]C[6,6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<2>,1|O<2>,2|H<1>,3|C<3>}	C[6](N[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]C[6]O)(C[6a]C[6a]2)(H){1|C<4>,1|O<2>,2|N<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.8180	1.178	2	120.8180	1.388	2	120.8180	1.388	2	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[5a,6]-3:C[6]-4:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a](C[6]N[5a,6]C[6]H)(C[6a]C[6a,6a]H)(C[6a]C[6a]O)	C[6](N[5a,6]C[5a,6,6]C[5a,6a])(C[6]C[6,6]HH)(C[6a]C[6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])(H)	C[6a](C[6]N[5a,6]C[6]H)(C[6a]C[6a,6a]H)(C[6a]C[6a]O){1|C<4>,3|H<1>,4|C<3>}	C[6](N[5a,6]C[5a,6,6]C[5a,6a])(C[6]C[6,6]HH)(C[6a]C[6a]2)(H){1|H<1>,1|O<2>,3|C<4>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<2>,3|C<3>}	122.3335	0.103	2	122.3335	0.011	2	122.3335	0.011	2	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[5a,6]-3:C[6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]N[5a,6]C[6]H)(C[6a]C[6a]H)2	C[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6a]O[6]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]N[5a,6]C[6]H)(C[6a]C[6a]H)2{1|N<2>,1|O<2>,3|C<3>,3|H<1>}	C[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6a]O[6]H)(C[6a]C[6a]2)(H){1|C<4>,1|N<2>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.5685	1.216	2	120.5685	1.477	2	120.5685	1.477	2	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[6,6a]-3:C[6,6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]N[6,6a]C[6,6]H)(C[6a]C[6a]H)2	C[6](N[6,6a]C[6,6a,6a]C[6a,6a])(C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]N[6,6a]C[6,6]H)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,4|C<3>}	C[6](N[6,6a]C[6,6a,6a]C[6a,6a])(C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(H){1|O<2>,5|H<1>,7|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	120.8700	2.192	2	120.8700	4.805	2	120.8700	4.805	2	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[6]-3:C[6,6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:Br-1:	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	C[6](N[6]C[6,6a]S)(C[6,6]C[6]3)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Br)	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]Br)(C[6a]C[6a]H){1|C<4>,1|S<4>,2|H<1>,4|C<3>}	C[6](N[6]C[6,6a]S)(C[6,6]C[6]3)(C[6a]C[6a]2)(H){1|Br<1>,2|H<1>,2|N<3>,2|O<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Br){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	121.0870	0.000	1	121.0870	0.000	1	121.0870	0.000	1	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[6]-3:C[6,6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	C[6](N[6]C[6,6a]S)(C[6,6]C[6]3)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]Br)(C[6a]C[6a]H){1|C<4>,1|S<4>,2|H<1>,4|C<3>}	C[6](N[6]C[6,6a]S)(C[6,6]C[6]3)(C[6a]C[6a]2)(H){1|Br<1>,2|H<1>,2|N<3>,2|O<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	120.9740	0.000	1	120.9740	0.000	1	120.2202	3.266	5	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[6]-3:C[6,6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)2	C[6](N[6]C[6,6a]H)(C[6,6]C[6]3)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6](N[6]C[6,6a]H)(C[6,6]C[6]3)(C[6a]C[6a]2)(H){2|N<3>,2|O<1>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	121.3570	0.000	1	120.8753	1.907	3	120.2202	3.266	5	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[6]-3:C[6,6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)2	C[6](N[6]C[6,6a]H)(C[6,6]C[6]3)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,3|H<1>,4|C<3>}	C[6](N[6]C[6,6a]H)(C[6,6]C[6]3)(C[6a]C[6a]2)(H){2|N<3>,2|O<1>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.6345	1.862	2	120.8753	1.907	3	120.2202	3.266	5	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[6]-3:C[6,6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)2	C[6](N[6]C[6,6a]H)(C[6,6]C[6]3)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H)	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6](N[6]C[6,6a]H)(C[6,6]C[6]3)(C[6a]C[6a]2)(H){2|N<3>,2|O<1>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	117.5010	0.000	1	117.5010	0.000	1	120.2202	3.266	5	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6](N[6]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){4|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]2)(H){1|Cl<1>,1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	121.0540	0.000	1	121.0540	0.000	1	121.0540	0.000	1	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6](N[6]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){4|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]2)(H){1|Cl<1>,1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	122.5220	0.000	1	122.5220	0.000	1	121.0672	6.177	9	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](N[6]C[5a,6]S)(C[6]C[6]BrC)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|Br<1>,1|C<4>,1|S<4>,2|H<1>,3|C<3>}	C[6](N[6]C[5a,6]S)(C[6]C[6]BrC)(C[6a]C[6a]2)(H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	120.8640	3.772	2	120.8640	14.226	2	121.0672	6.177	9	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](N[6]C[5a,6]S)(C[6]C[6]ClC)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|Cl<1>,1|C<4>,1|S<4>,2|H<1>,3|C<3>}	C[6](N[6]C[5a,6]S)(C[6]C[6]ClC)(C[6a]C[6a]2)(H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	120.7685	3.331	2	120.7685	11.097	2	121.0672	6.177	9	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](N[6]C[6a]C[6])(C[6]C[5,6]CC)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,4|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[5,6]CC)(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	121.6280	3.465	2	121.6280	12.005	2	121.0672	6.177	9	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](N[6]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]2)(H){1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.2810	2.802	2	120.2810	7.849	2	121.0672	6.177	9	120.8661	3.163	1143	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6]C[6,6a]C[5,6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(OC)	C[6a](C[6]C[6,6a]C[5,6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,2|O<2>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(OC){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	118.9600	0.000	1	118.9600	0.000	1	118.9600	0.000	1	120.8394	4.332	22	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){2|C<3>,3|C<4>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	118.9550	0.000	1	122.5106	8.136	5	121.1794	4.145	19	120.8394	4.332	22	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){2|C<4>,3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	123.3995	2.362	4	122.5106	8.136	5	121.1794	4.145	19	120.8394	4.332	22	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,1|S<1>,2|C<3>,2|O<2>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	122.5400	0.000	1	122.3636	0.027	5	121.1794	4.145	19	120.8394	4.332	22	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	122.3645	0.247	2	122.3636	0.027	5	121.1794	4.145	19	120.8394	4.332	22	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	122.2745	0.016	2	122.3636	0.027	5	121.1794	4.145	19	120.8394	4.332	22	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|O<2>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.1200	0.000	1	120.1200	0.000	1	121.1794	4.145	19	120.8394	4.332	22	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H){1|N<3>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	119.7020	0.000	1	119.7020	0.000	1	121.1794	4.145	19	120.8394	4.332	22	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,2|C<3>,5|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>,3|C<4>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	119.8775	0.974	2	119.8775	0.948	2	121.1794	4.145	19	120.8394	4.332	22	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]N[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,1|N<2>,2|C<4>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]N[6]C)(H){1|H<1>,1|N<2>,1|O<2>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	119.0050	0.000	1	119.0050	0.000	1	121.1794	4.145	19	120.8394	4.332	22	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(N[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(N[6]C[6]C)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,1|S<4>,2|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	118.9890	0.000	1	118.9890	0.000	1	121.1794	4.145	19	120.8394	4.332	22	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6](C[6a]C[6a]2)(C[6]S[6]CH)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|S<4>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]S[6]CH)(N[6]C[6]H)(H){1|C<4>,1|O<2>,2|C<3>,2|O<1>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	118.2810	0.000	1	118.2810	0.000	1	121.1794	4.145	19	120.8394	4.332	22	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]O)2	C[6](C[6a]C[6a]2)(C[6]C[6]HS)(N[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]O)2{1|S<4>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HS)(N[6]C[6]C)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>,2|O<2>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|O<2>}	121.0925	0.712	2	121.0925	0.507	2	121.1794	4.145	19	120.8394	4.332	22	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:2:	C[6]-4:C[6a]-3:C[6a]-3:	N[5a,6]-3:C[6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6]N[5a,6]C[6]H)(C[6a]C[6a,6a]H)(C[6a]C[6a]O)	C[6](N[5a,6]C[5a,6,6]C[5a,6a])(C[6]C[6,6]HH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C[6])(OH)	C[6a](C[6]N[5a,6]C[6]H)(C[6a]C[6a,6a]H)(C[6a]C[6a]O){1|C<4>,3|H<1>,4|C<3>}	C[6](N[5a,6]C[5a,6,6]C[5a,6a])(C[6]C[6,6]HH)(C[6a]C[6a]2)(H){1|H<1>,1|O<2>,3|C<4>,5|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C[6])(OH){1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	118.5490	0.363	2	118.5490	0.132	2	118.5490	0.132	2	120.8394	4.332	22	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6]C[6,6a]C[5,6]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3)	C[6a](C[6]C[6,6a]C[5,6]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H){1|C<4>,1|H<1>,1|O<1>,3|O<2>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3){1|C<4>,2|C<3>,3|H<1>}	119.7670	0.000	1	119.7670	0.000	1	120.2010	0.377	2	121.1478	2.634	8	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6]C[6,6a]C[5,6]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3)	C[6a](C[6]C[6,6a]C[5,6]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H){1|C<4>,1|H<1>,1|O<1>,2|O<2>,7|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3){1|C<4>,2|C<3>,3|H<1>}	120.6350	0.000	1	120.6350	0.000	1	120.2010	0.377	2	121.1478	2.634	8	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	119.4200	0.000	1	119.4200	0.000	1	121.4633	3.135	6	121.1478	2.634	8	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(N[6]C[6]H)(H){2|C<3>,2|C<4>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.5450	0.000	1	120.5450	0.000	1	121.4633	3.135	6	121.1478	2.634	8	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(N[6]C[6]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CC[6]HH)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,1|N<4>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(N[6]C[6]2)(H){1|N<3>,3|C<3>,3|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CC[6]HH){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	124.6790	0.000	1	124.6790	0.000	1	121.4633	3.135	6	121.1478	2.634	8	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(N[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CCHH)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(N[6]C[6]C)(H){2|C<3>,3|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CCHH){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	121.5900	0.158	2	121.5900	0.025	2	121.4633	3.135	6	121.1478	2.634	8	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	3:3:4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(N[6]C[6]H)(H){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.9560	0.000	1	120.9560	0.000	1	121.4633	3.135	6	121.1478	2.634	8	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:1:	4:3:3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,6,6]C[5]H)(C[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]C[5])(C[6a]C[6a]H){3|C<3>,3|C<4>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]2)(H){2|C<4>,3|H<1>,5|C<3>}	C[6a](C[5]C[5,6,6]C[5]H)(C[6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,2|C<4>,4|C<3>,5|H<1>}	123.1940	0.000	1	123.1940	0.000	1	123.1940	0.000	1	123.1940	0.000	1	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:2:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:P[6]-4:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5a,6]P[6]O)(C[6a]C[6a]H)2	C[6](C[5a,6]C[5a,6]S[5a])(P[6]C[5a,6]C[6a]O)(C[6a]C[6a]2)(OH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5a,6]P[6]O)(C[6a]C[6a]H)2{1|O<1>,1|S<2>,2|H<1>,4|C<3>}	C[6](C[5a,6]C[5a,6]S[5a])(P[6]C[5a,6]C[6a]O)(C[6a]C[6a]2)(OH){1|S<2>,2|H<1>,7|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|O<2>,1|P<4>,2|C<3>,2|H<1>}	120.5620	0.680	2	120.5620	0.463	2	120.5620	0.463	2	120.8420	1.485	8	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:2:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[3]-4:C[6a]-3:O[6]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[3]O[6])(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[3]C[3]2Br)(C[6a]C[6a]2)(O[6]C[6])	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[3]O[6])(C[6a]C[6a]H)2{1|Br<1>,2|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[3]C[3]2Br)(C[6a]C[6a]2)(O[6]C[6]){1|C<4>,1|N<2>,4|C<3>,7|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.6870	0.880	2	120.6870	0.774	2	120.6870	0.774	2	120.8420	1.485	8	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:2:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-3:Si[6]-4:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]Si[6]C[6]O)(C[6a]C[6a]H)2	C[6](C[6]C[6a]C[6])(Si[6]N[6]CC)(C[6a]C[6a]2)(OZr)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]Si[6]C[6]O)(C[6a]C[6a]H)2{1|N<2>,2|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6])(Si[6]N[6]CC)(C[6a]C[6a]2)(OZr){1|C<2>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Si<4>,1|O<2>,2|C<3>,2|H<1>}	121.1130	2.913	2	121.1130	8.487	2	121.1130	8.487	2	120.8420	1.485	8	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:2:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]O)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(OH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]O)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,5|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(OH){1|N<3>,1|S<1>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	121.0060	0.516	2	121.0060	0.266	2	121.0060	0.266	2	120.8420	1.485	8	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:3:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)2{3|H<1>,7|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)2{1|N<3>,1|O<1>,5|H<1>,8|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	121.2230	0.639	4	121.2230	0.409	4	121.2230	0.409	4	121.3775	3.714	42	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:3:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6a]C[6])(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6a]2)(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6a]C[6])(C[6a]C[6a]H)2{2|H<1>,8|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6a]2)(C[6a]C[6a]2)2{12|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	121.9430	3.625	8	121.9430	13.139	8	121.5756	4.576	32	121.3775	3.714	42	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:3:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6a]C[6])(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6a]C[6])(C[6a]C[6a]H)2{4|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(C[6a]C[6a]2)2{5|H<1>,8|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	121.1663	1.026	4	121.1663	1.053	4	121.5756	4.576	32	121.3775	3.714	42	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:3:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6a]C[6])(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6a]C[6])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,7|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(C[6a]C[6a]2)2{1|N<2>,6|H<1>,8|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	121.8295	0.975	4	121.5870	0.802	8	121.5756	4.576	32	121.3775	3.714	42	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:3:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6a]C[6])(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6a]C[6])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,7|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(C[6a]C[6a]2)2{1|N<2>,6|H<1>,8|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	121.3445	0.874	4	121.5870	0.802	8	121.5756	4.576	32	121.3775	3.714	42	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:3:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6a]C[6])(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6a]C[6])(C[6a]C[6a]H)2{3|H<1>,7|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)2{10|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	121.6188	2.851	4	121.4595	3.562	12	121.5756	4.576	32	121.3775	3.714	42	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:3:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6a]C[6])(C[6a]C[6a]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6a]C[6])(C[6a]C[6a]H)2{3|H<1>,7|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)2{10|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	121.3799	1.447	8	121.4595	3.562	12	121.5756	4.576	32	121.3775	3.714	42	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:3:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-3:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]C)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(COO)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Br)(H)	C[6a](C[6]C[6]N[6]C)(C[6a]C[6a]H)2{1|Br<1>,1|C<4>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(COO){1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Br)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	120.4185	0.856	2	120.4185	0.733	2	120.4237	0.481	6	121.3775	3.714	42	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:3:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-3:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]C)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(COO)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]C)(C[6a]C[6a]H)2{1|Br<1>,1|C<4>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(COO){1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	120.2565	1.177	2	120.2565	1.386	2	120.4237	0.481	6	121.3775	3.714	42	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:3:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-3:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]C)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]N[6]C)(CHO)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]C)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]N[6]C)(CHO){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	120.5960	0.412	2	120.5960	0.169	2	120.4237	0.481	6	121.3775	3.714	42	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:4:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6]C)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6]C)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]2)(CCHH){1|N<3>,1|O<2>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	121.4020	0.000	1	121.4020	0.000	1	121.4020	0.000	1	120.8805	3.610	11	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:4:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]C)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]FF)(N[6]C[6]H)(CF3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]C)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,2|F<1>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]FF)(N[6]C[6]H)(CF3){2|C<4>,2|F<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	120.7995	1.975	4	120.7995	3.900	4	120.8283	3.978	10	120.8805	3.610	11	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:4:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]C)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]C)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(CH3){1|C<4>,2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	121.0480	1.797	2	121.0480	3.231	2	120.8283	3.978	10	120.8805	3.610	11	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:4:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]C)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]C)(C[6a]C[6a]H)2{3|C<3>,5|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(CH3){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	120.5955	3.583	2	120.7473	6.915	4	120.8283	3.978	10	120.8805	3.610	11	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:4:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]C)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]C)(C[6a]C[6a]H)2{3|C<3>,5|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(CH3){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|H<1>,1|N<3>,2|C<4>}	120.8990	2.796	2	120.7473	6.915	4	120.8283	3.978	10	120.8805	3.610	11	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:3:4:	3:3:2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6]C[6,6a]C[6]C)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH)	C[6a](C[6]C[6,6a]C[6]C)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]2)(CCHH){1|N<3>,1|O<2>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH){2|C<3>,2|C<4>,2|H<1>}	122.3580	0.000	1	122.3580	0.000	1	122.3580	0.000	1	122.3580	0.000	1	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-4:H-1:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]F)2	C[6](C[6a]C[6a]2)(C[6]C[6]HO)(N[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]F)(F)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]F)2{1|C<3>,1|O<2>,2|C<4>,2|F<1>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HO)(N[6]C[6]HH)(H){1|C<4>,2|C<3>,2|F<1>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]F)(F){1|C<3>,1|C<4>,1|H<1>,1|N<4>,2|F<1>}	121.8760	6.440	2	121.8760	41.478	2	121.8760	41.478	2	120.6032	5.814	18	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<3>,3|C<4>,5|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]HH)(H){1|C<4>,2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<4>,3|H<1>}	120.5325	2.408	2	120.8345	2.864	6	120.2939	3.603	10	120.6032	5.814	18	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,5|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]HH)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<4>,1|O<2>,2|H<1>}	120.9855	1.658	4	120.8345	2.864	6	120.2939	3.603	10	120.6032	5.814	18	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]HH)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|N<4>,1|O<2>,2|H<1>}	119.3905	2.357	2	119.3905	5.554	2	120.2939	3.603	10	120.6032	5.814	18	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:N[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,2|O<2>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]HH)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|N<4>,1|O<2>,2|H<1>}	119.5755	2.852	2	119.5755	8.133	2	120.2939	3.603	10	120.6032	5.814	18	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:P[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]P[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(P[6]C[6]2O)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]P[6]H)(C[6a]C[6a]H)2{1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(P[6]C[6]2O)(H){1|O<1>,3|C<3>,3|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|P<4>,3|H<1>}	120.7965	2.319	4	120.7965	5.376	4	120.7965	5.376	4	120.6032	5.814	18	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:S[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]S[6]H)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(S[6]O[6]OO)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]S[6]H)(C[6a]C[6a]H)2{1|N<3>,1|O<2>,2|C<3>,2|O<1>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(S[6]O[6]OO)(H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|S<4>,3|H<1>}	120.4900	2.104	2	120.4900	4.428	2	120.4900	4.428	2	120.6032	5.814	18	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:4:2:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:C-4:O[6]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]C)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6](C[6a]C[6a]2)(C[6]C[6]CN)(CC[6a]HH)(O[6]C[6])	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]C)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	C[6](C[6a]C[6a]2)(C[6]C[6]CN)(CC[6a]HH)(O[6]C[6]){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	120.9880	0.000	1	120.9880	0.000	1	120.9880	0.000	1	120.9880	0.000	1	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:4:2:	3:3:2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:C-4:O[6]-2:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6]C[6]O[6]C)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6](C[6a]C[6a]2)(C[6]C[6]CN)(CC[6a]HH)(O[6]C[6])	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OS)	C[6a](C[6]C[6]O[6]C)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	C[6](C[6a]C[6a]2)(C[6]C[6]CN)(CC[6a]HH)(O[6]C[6]){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OS){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	122.9470	0.000	1	122.9470	0.000	1	122.9470	0.000	1	122.9470	0.000	1	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:4:4:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[5]-4:C[6]-4:C[6]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5]C[6]2)(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[5]C[5]2H)(C[6]C[6]HH)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5]C[6]2)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,7|H<1>}	C[6](C[6a]C[6a]2)(C[5]C[5]2H)(C[6]C[6]HH)2{1|C<4>,2|O<1>,4|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	121.8900	2.370	2	121.8900	5.618	2	121.8900	5.618	2	121.4913	2.101	4	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	3:4:4:4:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:C[6]-4:N[6]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]2N[6])(C[6a]C[6a]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(N[6]C[6]2H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]2N[6])(C[6a]C[6a]H)2{1|C<3>,4|C<4>,7|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(N[6]C[6]2H){10|H<1>,2|C<3>,3|C<4>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<4>,2|C<4>,2|H<1>}	121.0925	0.218	2	121.0925	0.048	2	121.0925	0.048	2	121.4913	2.101	4	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[3,6]-4:C[6a]-3:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[3,6]O[6]H)(C[6a]C[6a]H)2	C[6](C[3,6]N[3,6]C[3]H)(C[6a]C[6a]2)(O[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[3,6]O[6]H)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6](C[3,6]N[3,6]C[3]H)(C[6a]C[6a]2)(O[6]C[6])(H){1|C<4>,2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.7055	0.573	2	120.7055	0.329	2	120.7055	0.329	2	120.6870	2.327	389	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:N[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]N[6]H)(C[6a]C[6a]H)2	C[6](C[5,6]C[3,5]N[5,6]C)(C[6a]C[6a]2)(N[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6](C[5,6]C[3,5]N[5,6]C)(C[6a]C[6a]2)(N[6]C[6])(H){1|N<3>,2|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|N<2>,2|H<1>}	120.4460	1.403	2	120.4460	1.968	2	120.7318	1.851	4	120.6870	2.327	389	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:N[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]N[6]H)(C[6a]C[6a]H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(N[6]C[6,6a])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]N[6]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(N[6]C[6,6a])(H){1|C<4>,1|N<3>,4|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	121.0175	1.805	2	121.0175	3.259	2	120.7318	1.851	4	120.6870	2.327	389	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:O[6]-2:H-1:	C[6a]-3:C[6a]-3:Br-1:	C[6a](C[6]C[5,6]O[6]H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(O[6]C[5a,6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Br)	C[6a](C[6]C[5,6]O[6]H)(C[6a]C[6a]Br)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(O[6]C[5a,6])(H){1|Br<1>,1|C<2>,1|H<1>,1|N<3>,1|O<2>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Br){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	121.8540	0.000	1	121.8540	0.000	1	121.8540	0.000	1	120.6870	2.327	389	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]O[6]H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(O[6]C[5a,6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]O[6]H)(C[6a]C[6a]Br)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(O[6]C[5a,6])(H){1|Br<1>,1|C<2>,1|H<1>,1|N<3>,1|O<2>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	119.5200	0.000	1	119.5200	0.000	1	120.6600	3.031	90	120.6870	2.327	389	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]O[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(O[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H)	C[6a](C[6]C[5,6]O[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(O[6]C[6])(H){1|O<2>,1|S<2>,2|C<3>,2|C<4>,6|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	120.1770	0.000	1	120.1770	0.000	1	120.6600	3.031	90	120.6870	2.327	389	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]O[6]H)(C[6a]C[6a]H)2	C[6](C[5,6]C[5,5,6]C[5]C)(C[6a]C[6a]2)(O[6]P[5,6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]O[6]H)(C[6a]C[6a]H)2{1|P<4>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,5,6]C[5]C)(C[6a]C[6a]2)(O[6]P[5,6])(H){1|Cr<6>,1|O<2>,2|H<1>,3|C<3>,4|C<4>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.6295	1.217	2	120.9142	6.906	8	120.6600	3.031	90	120.6870	2.327	389	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]O[6]H)(C[6a]C[6a]H)2	C[6](C[5,6]C[5,5,6]C[5]C)(C[6a]C[6a]2)(O[6]P[5,6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]O[6]H)(C[6a]C[6a]H)2{1|P<4>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,5,6]C[5]C)(C[6a]C[6a]2)(O[6]P[5,6])(H){1|Mo<6>,1|O<2>,2|H<1>,3|C<3>,4|C<4>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	121.0443	3.381	4	120.9142	6.906	8	120.6600	3.031	90	120.6870	2.327	389	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]O[6]H)(C[6a]C[6a]H)2	C[6](C[5,6]C[5,5,6]C[5]C)(C[6a]C[6a]2)(O[6]P[5,6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]O[6]H)(C[6a]C[6a]H)2{1|P<4>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,5,6]C[5]C)(C[6a]C[6a]2)(O[6]P[5,6])(H){1|O<2>,1|W<6>,2|H<1>,3|C<3>,4|C<4>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.9390	3.511	2	120.9142	6.906	8	120.6600	3.031	90	120.6870	2.327	389	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]O[6]H)(C[6a]C[6a]H)2	C[6](C[5,6]C[5,5]C[5,6]N)(C[6a]C[6a]2)(O[6]C[6,6a])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]O[6]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,5]C[5,6]N)(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|C<4>,1|N<3>,1|S<2>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.6850	2.045	2	120.8536	0.871	10	120.6600	3.031	90	120.6870	2.327	389	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]O[6]H)(C[6a]C[6a]H)2	C[6](C[5,6]C[5,5]C[5,6]N)(C[6a]C[6a]2)(O[6]C[6,6a])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]O[6]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,5]C[5,6]N)(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|C<4>,1|N<3>,1|S<2>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	120.7930	1.006	4	120.8536	0.871	10	120.6600	3.031	90	120.6870	2.327	389	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]O[6]H)(C[6a]C[6a]H)2	C[6](C[5,6]C[5,5]C[5,6]N)(C[6a]C[6a]2)(O[6]C[6,6a])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]O[6]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,5]C[5,6]N)(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|C<4>,1|N<3>,1|S<2>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	120.8650	0.580	2	120.8536	0.871	10	120.6600	3.031	90	120.6870	2.327	389	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]O[6]H)(C[6a]C[6a]H)2	C[6](C[5,6]C[5,5]C[5,6]N)(C[6a]C[6a]2)(O[6]C[6,6a])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]O[6]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,5]C[5,6]N)(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|N<3>,2|C<4>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	121.1320	0.236	2	120.8536	0.871	10	120.6600	3.031	90	120.6870	2.327	389	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]O[6]H)(C[6a]C[6a]H)2	C[6](C[5,6]C[5,6,6]C[5]C)(C[6a]C[6a]2)(O[6]C[6,6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]O[6]H)(C[6a]C[6a]H)2{2|C<3>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6,6]C[5]C)(C[6a]C[6a]2)(O[6]C[6,6])(H){2|N<3>,4|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.6220	0.757	2	120.6220	0.572	2	120.6600	3.031	90	120.6870	2.327	389	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]O[6]H)(C[6a]C[6a]H)2	C[6](C[5,6]C[5,6,6]C[5]H)(C[6a]C[6a]2)(O[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]O[6]H)(C[6a]C[6a]H)2{1|C<3>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6a]C[6a]2)(O[6]C[6])(H){1|O<2>,3|C<3>,3|C<4>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.7330	1.962	2	120.7330	3.848	2	120.6600	3.031	90	120.6870	2.327	389	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]O[6]H)(C[6a]C[6a]H)2	C[6](C[5,6]C[5,6]2N)(C[6a]C[6a]2)(O[6]C[6,6a])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]O[6]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]2N)(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|N<3>,2|C<4>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.7550	4.862	2	120.9765	10.046	4	120.6600	3.031	90	120.6870	2.327	389	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]O[6]H)(C[6a]C[6a]H)2	C[6](C[5,6]C[5,6]2N)(C[6a]C[6a]2)(O[6]C[6,6a])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]O[6]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]2N)(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|N<3>,2|C<4>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	121.1980	2.510	2	120.9765	10.046	4	120.6600	3.031	90	120.6870	2.327	389	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]O[6]H)(C[6a]C[6a]H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6a]C[6a]2)(O[6]C[6,6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]O[6]H)(C[6a]C[6a]H)2{1|C<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6a]C[6a]2)(O[6]C[6,6])(H){1|C<2>,1|N<2>,1|N<3>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.2930	0.148	2	120.2930	0.022	2	120.6600	3.031	90	120.6870	2.327	389	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]O[6]H)(C[6a]C[6a]H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(O[6]C[6,6a])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]O[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|N<2>,1|N<3>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.4647	1.256	14	120.4529	1.123	20	120.6600	3.031	90	120.6870	2.327	389	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]O[6]H)(C[6a]C[6a]H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(O[6]C[6,6a])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]O[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.3220	0.453	2	120.4529	1.123	20	120.6600	3.031	90	120.6870	2.327	389	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]O[6]H)(C[6a]C[6a]H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(O[6]C[6,6a])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]O[6]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|C<4>,1|O<2>,4|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.6960	0.475	2	120.4529	1.123	20	120.6600	3.031	90	120.6870	2.327	389	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]O[6]H)(C[6a]C[6a]H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(O[6]C[6,6a])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]O[6]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|C<4>,2|N<3>,3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.2580	0.419	2	120.4529	1.123	20	120.6600	3.031	90	120.6870	2.327	389	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]O[6]H)(C[6a]C[6a]H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(O[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]O[6]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(O[6]C[6])(H){5|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.4045	1.630	2	120.4045	2.657	2	120.6600	3.031	90	120.6870	2.327	389	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]O[6]H)(C[6a]C[6a]H)2	C[6](C[5,6]C[5,6]C[5]N)(C[6a]C[6a]2)(O[6]C[6,6a])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Br)(H)	C[6a](C[6]C[5,6]O[6]H)(C[6a]C[6a]H)2{1|Br<1>,1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]N)(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|C<4>,1|N<3>,1|S<1>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Br)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	119.1860	1.949	2	119.1860	3.798	2	120.6600	3.031	90	120.6870	2.327	389	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]O[6]H)(C[6a]C[6a]H)2	C[6](C[5,6]C[5,6]C[5]N)(C[6a]C[6a]2)(O[6]C[6,6a])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]O[6]H)(C[6a]C[6a]H)2{1|Br<1>,1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]N)(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|C<4>,1|N<3>,1|S<1>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	121.1295	1.822	2	120.8460	2.399	4	120.6600	3.031	90	120.6870	2.327	389	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]O[6]H)(C[6a]C[6a]H)2	C[6](C[5,6]C[5,6]C[5]N)(C[6a]C[6a]2)(O[6]C[6,6a])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]O[6]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]N)(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|C<4>,1|N<3>,4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	120.5625	1.886	2	120.8460	2.399	4	120.6600	3.031	90	120.6870	2.327	389	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]O[6]H)(C[6a]C[6a]H)2	C[6](C[5,6]C[5,6]O[5]H)(C[6a]C[6a]2)(O[6]C[5,6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]O[6]H)(C[6a]C[6a]H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6a]C[6a]2)(O[6]C[5,6])(H){2|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,1|S<4>,2|H<1>}	120.2880	1.993	2	120.2880	3.971	2	120.6600	3.031	90	120.6870	2.327	389	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]O[6]H)(C[6a]C[6a]H)2	C[6](C[5,6]C[5,6]O[5]H)(C[6a]C[6a]2)(O[6]P[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]O[6]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|O<2>,1|P<4>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6a]C[6a]2)(O[6]P[6])(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	120.6040	2.184	2	120.7491	4.450	8	120.6600	3.031	90	120.6870	2.327	389	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]O[6]H)(C[6a]C[6a]H)2	C[6](C[5,6]C[5,6]O[5]H)(C[6a]C[6a]2)(O[6]P[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]O[6]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|O<2>,1|P<4>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6a]C[6a]2)(O[6]P[6])(H){1|O<1>,1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	120.8350	3.504	2	120.7491	4.450	8	120.6600	3.031	90	120.6870	2.327	389	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]O[6]H)(C[6a]C[6a]H)2	C[6](C[5,6]C[5,6]O[5]H)(C[6a]C[6a]2)(O[6]P[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]O[6]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|O<2>,1|P<4>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6a]C[6a]2)(O[6]P[6])(H){1|O<1>,2|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	121.0820	1.105	2	120.7491	4.450	8	120.6600	3.031	90	120.6870	2.327	389	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]O[6]H)(C[6a]C[6a]H)2	C[6](C[5,6]C[5,6]O[5]H)(C[6a]C[6a]2)(O[6]P[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]O[6]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|O<2>,1|P<4>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6a]C[6a]2)(O[6]P[6])(H){1|O<1>,2|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	120.4755	3.529	2	120.7491	4.450	8	120.6600	3.031	90	120.6870	2.327	389	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]O[6]H)(C[6a]C[6a]H)2	C[6](C[5,6]C[5,6]O[5]N)(C[6a]C[6a]2)(O[6]C[6,6a])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]O[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<2>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]N)(C[6a]C[6a]2)(O[6]C[6,6a])(H){3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	121.1770	0.536	2	121.1770	0.287	2	120.6600	3.031	90	120.6870	2.327	389	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]O[6]H)(C[6a]C[6a]H)2	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6a]C[6a]2)(O[6]C[6,6a])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]O[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|C<4>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	120.9145	0.754	2	120.7965	1.830	4	120.6600	3.031	90	120.6870	2.327	389	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]O[6]H)(C[6a]C[6a]H)2	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6a]C[6a]2)(O[6]C[6,6a])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]O[6]H)(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6a]C[6a]2)(O[6]C[6,6a])(H){2|H<1>,7|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	120.6785	2.205	2	120.7965	1.830	4	120.6600	3.031	90	120.6870	2.327	389	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]O[6]H)(C[6a]C[6a]H)2	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(O[6]C[6,6a])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]O[6]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|C<4>,1|N<3>,1|O<1>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.5645	1.001	2	120.5645	1.001	2	120.6600	3.031	90	120.6870	2.327	389	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]O[6]H)(C[6a]C[6a]H)2	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(O[6]C[6,6a])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]O[6]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|N<2>,1|N<3>,1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.4185	1.320	2	120.4185	1.743	2	120.6600	3.031	90	120.6870	2.327	389	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]O[6]H)(C[6a]C[6a]H)2	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(O[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]O[6]H)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(O[6]C[6])(H){1|O<1>,2|C<4>,4|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.8675	1.801	2	120.8675	3.244	2	120.6600	3.031	90	120.6870	2.327	389	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]O[6]H)(C[6a]C[6a]H)2	C[6](C[5,6]C[5]C[6]N[5])(C[6a]C[6a]2)(O[6]C[6,6a])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]O[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5]C[6]N[5])(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|N<2>,1|O<1>,3|H<1>,7|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.9510	4.139	2	120.9510	17.135	2	120.6600	3.031	90	120.6870	2.327	389	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]O[6]H)(C[6a]C[6a]H)2	C[6](C[5,6]C[5]C[6]O[5])(C[6a]C[6a]2)(O[6]C[6,6a])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]O[6]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5]C[6]O[5])(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|N<2>,1|O<1>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	121.0675	3.592	6	121.0675	12.902	6	120.6600	3.031	90	120.6870	2.327	389	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]O[6]H)(C[6a]C[6a]H)2	C[6](C[5,6]N[5,6]C[5]H)(C[6a]C[6a]2)(O[6]C[6,6a])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]O[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|C<4>,4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.4570	2.109	2	120.4570	4.446	2	120.6600	3.031	90	120.6870	2.327	389	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:S[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]S[6]H)(C[6a]C[6a]H)2	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(S[6]C[5a,6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]S[6]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(S[6]C[5a,6])(H){1|S<1>,2|N<3>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|S<2>,3|H<1>}	120.7470	3.487	2	120.7470	12.162	2	120.6858	6.162	6	120.6870	2.327	389	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:S[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]S[6]H)(C[6a]C[6a]H)2	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(S[6]C[6,6a])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]S[6]H)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(S[6]C[6,6a])(H){1|O<1>,1|O<2>,2|C<4>,4|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|S<2>,3|H<1>}	120.6552	2.492	4	120.6552	6.212	4	120.6858	6.162	6	120.6870	2.327	389	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6a]-3:N[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6])(H){1|C<4>,2|O<2>,3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,3|H<1>}	122.1470	0.000	1	122.1470	0.000	1	120.6495	5.342	4	120.6870	2.327	389	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6a]-3:N[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]N)(H)	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6])(H){1|C<4>,2|O<2>,3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|N<2>,3|H<1>}	118.8590	0.000	1	118.8590	0.000	1	120.6495	5.342	4	120.6870	2.327	389	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6a]-3:N[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6]3)(C[6a]C[6a]2)(N[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6]C[6]3)(C[6a]C[6a]2)(N[6]C[6])(H){3|C<3>,3|H<1>,3|N<3>,3|O<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	120.7960	3.246	2	120.7960	10.534	2	120.6495	5.342	4	120.6870	2.327	389	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6a]-3:O[6]-2:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(O[6]C[5a,6])(H)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[6])(H)	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|C<2>,1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(O[6]C[5a,6])(H){2|N<3>,3|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[6])(H){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	117.1780	0.000	1	117.1780	0.000	1	117.1780	0.000	1	120.6870	2.327	389	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6a]-3:O[6]-2:H-1:	C[6a]-3:C[6a]-3:Br-1:	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Br)	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]Br)(C[6a]C[6a]H){1|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6])(H){1|Br<1>,1|O<2>,2|C<4>,3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Br){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	124.2365	0.449	2	124.2365	0.202	2	124.2365	0.202	2	120.6870	2.327	389	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6a]-3:O[6]-2:H-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(O[6]C[6,6a])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl)	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|Cl<1>,1|O<2>,4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	121.8230	0.000	1	121.8230	0.000	1	121.8230	0.000	1	120.6870	2.327	389	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6a]-3:O[6]-2:H-1:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]F)(C[6a]C[6a]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(F)	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]F)(C[6a]C[6a]H){1|Br<1>,1|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6])(H){1|C<4>,1|F<1>,1|N<3>,3|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(F){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	122.2580	0.000	1	122.2580	0.000	1	122.2580	0.000	1	120.6870	2.327	389	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6a]-3:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(O[6]C[5a,6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[5,6a]H)(H)	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|C<2>,1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(O[6]C[5a,6])(H){2|N<3>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[5,6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	122.8230	0.000	1	122.8230	0.000	1	120.7194	1.324	100	120.6870	2.327	389	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6a]-3:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]Br)(C[6a]C[6a]H){1|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6])(H){1|Br<1>,1|O<2>,2|C<4>,3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	119.1305	0.896	2	119.1305	0.803	2	120.7194	1.324	100	120.6870	2.327	389	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6a]-3:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(O[6]C[5a,6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(O[6]C[5a,6])(H){1|C<4>,1|N<3>,1|O<2>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	119.3020	0.000	1	119.3020	0.000	1	120.7194	1.324	100	120.6870	2.327	389	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6a]-3:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(O[6]C[6,6a])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]C)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|C<4>,1|N<3>,1|O<2>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	119.6040	0.000	1	119.6040	0.000	1	120.7194	1.324	100	120.6870	2.327	389	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6a]-3:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6])(H){1|N<3>,2|C<4>,3|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	119.2770	0.000	1	119.2770	0.000	1	120.7194	1.324	100	120.6870	2.327	389	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6a]-3:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(O[6]C[6,6a])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|Cl<1>,1|O<2>,4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	120.7620	0.000	1	120.7620	0.000	1	120.7194	1.324	100	120.6870	2.327	389	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6a]-3:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]F)(C[6a]C[6a]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Br)(H)	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]F)(C[6a]C[6a]H){1|Br<1>,1|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6])(H){1|C<4>,1|F<1>,1|N<3>,3|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Br)(H){1|C<3>,1|C<4>,1|F<1>,1|O<2>,2|H<1>}	121.1580	0.000	1	121.1580	0.000	1	120.7194	1.324	100	120.6870	2.327	389	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6a]-3:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(O[6]C[5a,6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){2|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(O[6]C[5a,6])(H){1|N<3>,2|O<2>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	122.4910	0.000	1	122.4910	0.000	1	120.7194	1.324	100	120.6870	2.327	389	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6a]-3:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(O[6]C[6,6a])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|N<3>,1|O<2>,4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	120.6230	0.000	1	120.6230	0.000	1	120.7194	1.324	100	120.6870	2.327	389	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6a]-3:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6,6]C[3,6,6]C[6]H)(C[6a]C[6a]2)(O[6]Si[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]H)2{1|Si<4>,1|C<4>,2|C<3>,3|H<1>}	C[6](C[6,6]C[3,6,6]C[6]H)(C[6a]C[6a]2)(O[6]Si[6])(H){1|N<3>,3|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.8275	0.332	2	120.8275	0.110	2	120.7194	1.324	100	120.6870	2.327	389	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6a]-3:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6,6]C[5,6,6]C[6,6a]H)(C[6a]C[6a]2)(O[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6]C[5,6,6]C[6,6a]H)(C[6a]C[6a]2)(O[6]C[6])(H){1|O<2>,2|C<4>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	121.1055	0.453	2	121.1055	0.205	2	120.7194	1.324	100	120.6870	2.327	389	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6a]-3:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6,6]C[5,6,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]H)2{1|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6])(H){1|O<2>,3|C<3>,3|C<4>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	120.8510	0.014	2	120.8510	0.000	2	120.7194	1.324	100	120.6870	2.327	389	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6a]-3:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6,6]C[5,6,6]O[6]H)(C[6a]C[6a]2)(O[6]C[5,6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6,6]C[5,6,6]O[6]H)(C[6a]C[6a]2)(O[6]C[5,6])(H){2|C<3>,2|H<1>,2|O<2>,4|C<4>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.5085	0.339	2	120.5085	0.115	2	120.7194	1.324	100	120.6870	2.327	389	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6a]-3:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6,6]C[5,6]C[6,6]H)(C[6a]C[6a]2)(O[6]C[6,6a])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|C<4>,1|N<3>,1|O<2>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.4410	0.262	2	120.4410	0.068	2	120.7194	1.324	100	120.6870	2.327	389	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6a]-3:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(O[6]C[5a,6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]H)2{1|C<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(O[6]C[5a,6])(H){1|N<3>,1|O<2>,4|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	120.6260	1.700	2	120.8764	2.935	10	120.7194	1.324	100	120.6870	2.327	389	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6a]-3:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(O[6]C[5a,6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]H)2{1|C<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(O[6]C[5a,6])(H){2|N<3>,4|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	121.0445	2.061	2	120.8764	2.935	10	120.7194	1.324	100	120.6870	2.327	389	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6a]-3:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(O[6]C[5a,6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(O[6]C[5a,6])(H){1|N<3>,1|O<2>,4|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.8165	2.423	2	120.8764	2.935	10	120.7194	1.324	100	120.6870	2.327	389	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6a]-3:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(O[6]C[5a,6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(O[6]C[5a,6])(H){1|N<3>,1|O<2>,4|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	121.1295	2.320	2	120.8764	2.935	10	120.7194	1.324	100	120.6870	2.327	389	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6a]-3:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(O[6]C[5a,6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(O[6]C[5a,6])(H){2|N<3>,4|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.7655	2.771	2	120.8764	2.935	10	120.7194	1.324	100	120.6870	2.327	389	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6a]-3:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(O[6]C[6,6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(O[6]C[6,6])(H){1|C<4>,1|O<2>,4|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.3870	2.810	2	120.3870	7.896	2	120.7194	1.324	100	120.6870	2.327	389	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6a]-3:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(O[6]C[6,6a])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]H)2{1|C<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|N<3>,1|O<2>,4|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.3455	1.785	2	120.6579	3.055	10	120.7194	1.324	100	120.6870	2.327	389	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6a]-3:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(O[6]C[6,6a])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]H)2{1|C<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|N<3>,1|O<2>,4|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	120.6515	2.375	2	120.6579	3.055	10	120.7194	1.324	100	120.6870	2.327	389	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6a]-3:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(O[6]C[6,6a])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|N<3>,1|O<2>,4|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	120.8055	1.559	2	120.6579	3.055	10	120.7194	1.324	100	120.6870	2.327	389	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6a]-3:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(O[6]C[6,6a])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|O<2>,5|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.5660	2.110	2	120.6579	3.055	10	120.7194	1.324	100	120.6870	2.327	389	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6a]-3:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(O[6]C[6,6a])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|O<2>,5|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	120.9210	3.374	2	120.6579	3.055	10	120.7194	1.324	100	120.6870	2.327	389	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6a]-3:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(O[6]C[5a,6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(O[6]C[5a,6])(H){1|C<4>,1|N<3>,1|O<2>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.6505	0.317	2	120.6505	0.101	2	120.7194	1.324	100	120.6870	2.327	389	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6a]-3:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6,6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]H)2{1|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6,6])(H){2|C<3>,2|O<2>,4|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.8925	0.370	2	120.9462	1.699	8	120.7194	1.324	100	120.6870	2.327	389	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6a]-3:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6,6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6,6])(H){1|N<3>,2|C<4>,3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	121.0680	1.244	4	120.9462	1.699	8	120.7194	1.324	100	120.6870	2.327	389	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6a]-3:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6,6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6,6])(H){3|C<3>,3|C<4>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.7565	2.641	2	120.9462	1.699	8	120.7194	1.324	100	120.6870	2.327	389	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6a]-3:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6,6a])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|C<4>,4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	120.9140	0.454	2	120.6924	0.930	12	120.7194	1.324	100	120.6870	2.327	389	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6a]-3:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6,6a])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|N<3>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.7970	1.783	2	120.6924	0.930	12	120.7194	1.324	100	120.6870	2.327	389	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6a]-3:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6,6a])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|C<4>,1|O<2>,4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.5175	0.293	2	120.6924	0.930	12	120.7194	1.324	100	120.6870	2.327	389	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6a]-3:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6,6a])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|C<4>,1|O<2>,4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	120.7295	0.316	2	120.6924	0.930	12	120.7194	1.324	100	120.6870	2.327	389	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6a]-3:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6,6a])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|O<2>,5|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.5983	1.465	4	120.6924	0.930	12	120.7194	1.324	100	120.6870	2.327	389	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6a]-3:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6])(H){1|C<4>,1|O<2>,3|C<3>,7|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	120.0400	0.000	1	120.9153	1.089	21	120.7194	1.324	100	120.6870	2.327	389	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6a]-3:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]H)2{1|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6])(H){1|O<2>,2|C<4>,3|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	121.0095	0.611	4	120.9153	1.089	21	120.7194	1.324	100	120.6870	2.327	389	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6a]-3:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]H)2{1|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6])(H){1|O<2>,2|C<4>,4|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.7225	2.227	2	120.9153	1.089	21	120.7194	1.324	100	120.6870	2.327	389	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6a]-3:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]H)2{1|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6])(H){1|O<2>,2|C<4>,4|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	121.0885	0.042	2	120.9153	1.089	21	120.7194	1.324	100	120.6870	2.327	389	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6a]-3:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]H)2{1|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6])(H){2|C<4>,3|C<3>,7|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	120.9690	1.094	6	120.9153	1.089	21	120.7194	1.324	100	120.6870	2.327	389	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6a]-3:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]H)2{1|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6])(H){2|C<4>,3|C<3>,7|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	121.4815	0.950	2	120.9153	1.089	21	120.7194	1.324	100	120.6870	2.327	389	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6a]-3:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6])(H){1|C<4>,1|O<1>,3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.7175	2.645	2	120.9153	1.089	21	120.7194	1.324	100	120.6870	2.327	389	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6a]-3:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6])(H){1|O<1>,2|C<3>,3|C<4>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.6550	0.100	2	120.9153	1.089	21	120.7194	1.324	100	120.6870	2.327	389	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6a]-3:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H)	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6])(H){1|C<4>,1|O<2>,3|C<3>,7|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	121.0140	0.000	1	121.0140	0.000	1	120.7194	1.324	100	120.6870	2.327	389	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6a]-3:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6]O[6]H)(C[6a]C[6a]2)(O[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(C[6a]C[6a]2)(O[6]C[6])(H){2|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	120.4620	0.669	2	120.4620	0.447	2	120.7194	1.324	100	120.6870	2.327	389	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6a]-3:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6a]C[6a]2)(O[6]C[6,6a])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|C<4>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	120.7920	0.351	2	120.7920	0.123	2	120.7194	1.324	100	120.6870	2.327	389	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6a]-3:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6a]C[6a]2)(O[6]C[6,6a])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H)	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|C<4>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	120.0090	0.284	2	120.0090	0.081	2	120.7194	1.324	100	120.6870	2.327	389	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6a]-3:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6]3)(C[6a]C[6a]2)(O[6]C[6,6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6]C[6]3)(C[6a]C[6a]2)(O[6]C[6,6])(H){2|C<3>,2|C<4>,2|N<3>,2|O<1>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.5430	0.232	6	120.5430	0.054	6	120.7194	1.324	100	120.6870	2.327	389	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6a]-3:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6]3)(C[6a]C[6a]2)(O[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6]C[6]3)(C[6a]C[6a]2)(O[6]C[6])(H){1|O<2>,2|C<4>,2|N<3>,2|O<1>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	120.4300	0.959	2	120.4300	0.919	2	120.7194	1.324	100	120.6870	2.327	389	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6a]-3:S[6]-2:H-1:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6]C[6,6]S[6]H)(C[6a]C[6a]F)(C[6a]C[6a]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(S[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(F)	C[6a](C[6]C[6,6]S[6]H)(C[6a]C[6a]F)(C[6a]C[6a]H){1|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(S[6]C[6])(H){1|F<1>,2|C<4>,3|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(F){1|C<3>,1|C<4>,1|S<2>,3|H<1>}	121.2750	0.000	1	121.2750	0.000	1	121.2750	0.000	1	120.6870	2.327	389	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6a]-3:S[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]S[6]H)(C[6a]C[6a]F)(C[6a]C[6a]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(S[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]S[6]H)(C[6a]C[6a]F)(C[6a]C[6a]H){1|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(S[6]C[6])(H){1|F<1>,2|C<4>,3|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|F<1>,1|S<2>,2|H<1>}	123.1630	0.000	1	123.1630	0.000	1	121.3028	4.987	11	120.6870	2.327	389	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6a]-3:S[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]S[6]H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(S[6]C[6,6a])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]S[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(S[6]C[6,6a])(H){1|O<1>,1|O<2>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|S<2>,3|H<1>}	120.7695	1.001	2	120.7695	1.001	2	121.3028	4.987	11	120.6870	2.327	389	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6a]-3:S[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]S[6]H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(S[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]S[6]H)(C[6a]C[6a]H)2{1|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(S[6]C[6])(H){1|C<4>,1|N<3>,4|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|S<2>,3|H<1>}	121.2036	2.529	8	121.2036	6.395	8	121.3028	4.987	11	120.6870	2.327	389	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:N[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(N[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{3|C<3>,4|H<1>}	C[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(N[6]C[6])(H){1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,3|H<1>}	120.7290	0.701	2	120.7290	0.492	2	120.8332	2.818	8	120.6870	2.327	389	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:N[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6,6a]HO)(C[6a]C[6a]2)(N[6]S[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|O<1>,1|S<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]HO)(C[6a]C[6a]2)(N[6]S[6])(H){2|H<1>,2|O<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,3|H<1>}	120.7115	3.992	2	120.7115	15.933	2	120.8332	2.818	8	120.6870	2.327	389	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:N[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6]ClC)(C[6a]C[6a]2)(N[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|Cl<1>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]ClC)(C[6a]C[6a]2)(N[6]C[6])(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|N<2>,2|H<1>}	120.7060	0.878	2	120.7060	0.771	2	120.8332	2.818	8	120.6870	2.327	389	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:N[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6]N[5a,6]CH)(C[6a]C[6a]2)(N[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	C[6](C[6]N[5a,6]CH)(C[6a]C[6a]2)(N[6]C[6])(H){3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|N<2>,2|H<1>}	121.1865	1.481	2	121.1865	2.195	2	120.8332	2.818	8	120.6870	2.327	389	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H)	C[6](C[6]C[6,6a]CC)(C[6a]C[6a]2)(O[6]C[6])(H)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[6])(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	C[6](C[6]C[6,6a]CC)(C[6a]C[6a]2)(O[6]C[6])(H){4|C<3>,4|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[6])(H){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	118.7230	0.000	1	118.7230	0.000	1	118.7230	0.000	1	120.6870	2.327	389	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6](C[6]C[5,5,6]HH)(C[6a]C[6a]2)(O[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[5,5,6]HH)(C[6a]C[6a]2)(O[6]C[6])(H){1|Cl<1>,1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	122.5390	0.000	1	122.5390	0.000	1	122.6615	0.030	2	120.6870	2.327	389	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(O[6]C[6,6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(O[6]C[6,6])(H){1|Cl<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	122.7840	0.000	1	122.7840	0.000	1	122.6615	0.030	2	120.6870	2.327	389	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H)	C[6](C[6]C[6,6a]CC)(C[6a]C[6a]2)(O[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[5,6a]H)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	C[6](C[6]C[6,6a]CC)(C[6a]C[6a]2)(O[6]C[6])(H){4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[5,6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	120.9530	0.000	1	120.9530	0.000	1	120.5479	2.218	132	120.6870	2.327	389	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6](C[6]C[5,6]BrH)(C[6a]C[6a]2)(O[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|Br<1>,1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[5,6]BrH)(C[6a]C[6a]2)(O[6]C[6])(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>,3|C<4>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	115.0040	0.000	1	115.0040	0.000	1	120.5479	2.218	132	120.6870	2.327	389	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6](C[6]C[5,5,6]HH)(C[6a]C[6a]2)(O[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[5,5,6]HH)(C[6a]C[6a]2)(O[6]C[6])(H){1|Cl<1>,1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|O<2>}	120.6170	0.000	1	120.6170	0.000	1	120.5479	2.218	132	120.6870	2.327	389	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(O[6]C[6,6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(O[6]C[6,6])(H){1|Cl<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	120.4530	0.000	1	120.4530	0.000	1	120.5479	2.218	132	120.6870	2.327	389	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(O[6]O[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(O[6]O[6])(H){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	119.4965	1.187	2	119.4965	1.410	2	120.5479	2.218	132	120.6870	2.327	389	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6](C[6]C[6]SeH)(C[6a]C[6a]2)(O[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|Se<2>,1|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6]SeH)(C[6a]C[6a]2)(O[6]C[6])(H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	122.3280	0.000	1	122.3280	0.000	1	120.5479	2.218	132	120.6870	2.327	389	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(O[6]C[5,6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(O[6]C[5,6])(H){1|O<2>,2|C<3>,2|H<1>,4|C<4>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.8985	1.611	2	120.8985	2.597	2	120.5479	2.218	132	120.6870	2.327	389	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(O[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(O[6]C[6])(H){1|C<4>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|F<1>,1|O<2>,2|H<1>}	120.7785	1.107	2	120.7728	0.430	4	120.5479	2.218	132	120.6870	2.327	389	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(O[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(O[6]C[6])(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|F<1>,1|O<2>,2|H<1>}	120.7670	0.256	2	120.7728	0.430	4	120.5479	2.218	132	120.6870	2.327	389	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[5,6]HI)(C[6a]C[6a]2)(O[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<3>,1|I<1>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HI)(C[6a]C[6a]2)(O[6]C[6])(H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	120.8327	1.150	6	120.8327	1.322	6	120.5479	2.218	132	120.6870	2.327	389	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[5,6]HO)(C[6a]C[6a]2)(O[6]C[5,6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HO)(C[6a]C[6a]2)(O[6]C[5,6])(H){2|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	121.0700	0.772	2	121.0700	0.596	2	120.5479	2.218	132	120.6870	2.327	389	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[5a,6]HH)(C[6a]C[6a]2)(O[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[5a,6]HH)(C[6a]C[6a]2)(O[6]C[6])(H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	120.5775	0.050	4	120.5477	0.019	8	120.5479	2.218	132	120.6870	2.327	389	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[5a,6]HH)(C[6a]C[6a]2)(O[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[5a,6]HH)(C[6a]C[6a]2)(O[6]C[6])(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	120.5180	0.197	4	120.5477	0.019	8	120.5479	2.218	132	120.6870	2.327	389	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[5a]C[6]C)(C[6a]C[6a]2)(O[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5a]C[6]C)(C[6a]C[6a]2)(O[6]C[6])(H){1|N<2>,1|S<2>,3|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.5315	0.794	2	120.5315	0.631	2	120.5479	2.218	132	120.6870	2.327	389	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6,6]CH)(C[6a]C[6a]2)(O[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]CH)(C[6a]C[6a]2)(O[6]C[6])(H){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.6400	0.649	2	120.6400	0.421	2	120.5479	2.218	132	120.6870	2.327	389	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(O[6]B[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|B<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(O[6]B[6])(H){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	120.3320	1.407	2	120.7086	2.347	8	120.5479	2.218	132	120.6870	2.327	389	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(O[6]B[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|B<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(O[6]B[6])(H){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	120.5470	0.752	2	120.7086	2.347	8	120.5479	2.218	132	120.6870	2.327	389	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(O[6]B[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|B<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(O[6]B[6])(H){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	120.8715	1.592	2	120.7086	2.347	8	120.5479	2.218	132	120.6870	2.327	389	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(O[6]B[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|B<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(O[6]B[6])(H){1|N<3>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	121.0840	3.268	2	120.7086	2.347	8	120.5479	2.218	132	120.6870	2.327	389	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(O[6]C[3x6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(O[6]C[3x6])(H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.1532	1.208	4	120.1532	1.458	4	120.5479	2.218	132	120.6870	2.327	389	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(O[6]C[5,6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(O[6]C[5,6])(H){2|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.9350	1.517	2	120.9350	2.303	2	120.5479	2.218	132	120.6870	2.327	389	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(O[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(O[6]C[6])(H){2|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	122.1305	0.073	2	122.1305	0.005	2	120.5479	2.218	132	120.6870	2.327	389	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(O[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(O[6]C[6])(H){1|C<4>,3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.6275	2.911	2	120.0018	6.705	6	120.5479	2.218	132	120.6870	2.327	389	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(O[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(O[6]C[6])(H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|F<1>,1|O<2>,2|H<1>}	120.4430	4.550	2	120.0018	6.705	6	120.5479	2.218	132	120.6870	2.327	389	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(O[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(O[6]C[6])(H){2|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	118.9350	0.952	2	120.0018	6.705	6	120.5479	2.218	132	120.6870	2.327	389	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6,6]HO)(C[6a]C[6a]2)(O[6]C[6,6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HO)(C[6a]C[6a]2)(O[6]C[6,6])(H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.1153	0.720	12	120.1153	0.518	12	120.5479	2.218	132	120.6870	2.327	389	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)(O[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)(O[6]C[6])(H){1|C<4>,1|O<1>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	121.0075	2.875	10	121.0267	9.004	12	120.5479	2.218	132	120.6870	2.327	389	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)(O[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)(O[6]C[6])(H){1|C<4>,5|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	121.1225	4.960	2	121.0267	9.004	12	120.5479	2.218	132	120.6870	2.327	389	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(O[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(O[6]C[6])(H){3|H<1>,7|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	120.7873	1.235	4	120.7164	1.341	11	120.5479	2.218	132	120.6870	2.327	389	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(O[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(O[6]C[6])(H){4|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	120.7630	1.430	2	120.7164	1.341	11	120.5479	2.218	132	120.6870	2.327	389	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(O[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(O[6]C[6])(H){1|N<2>,1|O<1>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.6410	1.297	5	120.7164	1.341	11	120.5479	2.218	132	120.6870	2.327	389	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6,6a]ClH)(C[6a]C[6a]2)(O[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|Cl<1>,3|C<3>,3|H<1>}	C[6](C[6]C[6,6a]ClH)(C[6a]C[6a]2)(O[6]C[6])(H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.3030	0.502	2	120.3030	0.252	2	120.5479	2.218	132	120.6870	2.327	389	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(O[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{3|C<3>,4|H<1>}	C[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(O[6]C[6])(H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	121.0100	0.619	2	121.0100	0.384	2	120.5479	2.218	132	120.6870	2.327	389	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6,6a]HO)(C[6a]C[6a]2)(O[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]HO)(C[6a]C[6a]2)(O[6]C[6])(H){4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.3920	1.080	4	120.3920	1.166	4	120.5479	2.218	132	120.6870	2.327	389	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6,6a]N[6]H)(C[6a]C[6a]2)(O[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	C[6](C[6]C[6,6a]N[6]H)(C[6a]C[6a]2)(O[6]C[6])(H){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.3125	0.248	2	120.3125	0.062	2	120.5479	2.218	132	120.6870	2.327	389	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6]BrH)(C[6a]C[6a]2)(O[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|Br<1>,1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6]BrH)(C[6a]C[6a]2)(O[6]C[6])(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.1865	0.339	4	120.1865	0.115	4	120.5479	2.218	132	120.6870	2.327	389	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6]ClH)(C[6a]C[6a]2)(O[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|Cl<1>,1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6]ClH)(C[6a]C[6a]2)(O[6]C[6])(H){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.4075	1.628	4	120.4075	2.649	4	120.5479	2.218	132	120.6870	2.327	389	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6]SeH)(C[6a]C[6a]2)(O[6]C[6,6a])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|Se<2>,1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6]SeH)(C[6a]C[6a]2)(O[6]C[6,6a])(H){4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	120.7045	0.927	2	120.7045	0.859	2	120.5479	2.218	132	120.6870	2.327	389	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6a]C[6]C)(C[6a]C[6a]2)(O[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6]C)(C[6a]C[6a]2)(O[6]C[6])(H){5|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.5650	1.963	2	120.5650	3.853	2	120.5479	2.218	132	120.6870	2.327	389	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6a]C[6]F)(C[6a]C[6a]2)(O[6]C[6,6a])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|F<1>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]F)(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|O<1>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.4880	1.352	2	120.4880	1.828	2	120.5479	2.218	132	120.6870	2.327	389	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(O[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(O[6]C[6])(H){1|N<3>,1|O<1>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	121.0235	0.977	2	120.7550	1.084	7	120.5479	2.218	132	120.6870	2.327	389	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(O[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(O[6]C[6])(H){1|O<2>,2|C<4>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	122.2730	0.000	1	120.7550	1.084	7	120.5479	2.218	132	120.6870	2.327	389	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(O[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(O[6]C[6])(H){1|C<4>,2|H<1>,2|O<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.3635	0.449	2	120.7550	1.084	7	120.5479	2.218	132	120.6870	2.327	389	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(O[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(O[6]C[6])(H){1|O<1>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.1190	1.336	2	120.7550	1.084	7	120.5479	2.218	132	120.6870	2.327	389	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(O[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(O[6]C[6])(H){1|O<2>,2|C<4>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	118.4720	0.000	1	118.4720	0.000	1	120.5479	2.218	132	120.6870	2.327	389	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(O[6]C[6,6a])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(O[6]C[6,6a])(H){3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.4630	1.704	2	120.4630	2.904	2	120.5479	2.218	132	120.6870	2.327	389	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(O[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(O[6]C[6])(H){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.4035	2.914	2	120.4035	8.491	2	120.5479	2.218	132	120.6870	2.327	389	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6]N[5a,6]C[6a]H)(C[6a]C[6a]2)(O[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]N[5a,6]C[6a]H)(C[6a]C[6a]2)(O[6]C[6])(H){1|N<2>,4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.8620	1.642	2	120.8620	2.696	2	120.5479	2.218	132	120.6870	2.327	389	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6]N[5a,6]HH)(C[6a]C[6a]2)(O[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6](C[6]N[5a,6]HH)(C[6a]C[6a]2)(O[6]C[6])(H){1|N<2>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	120.9840	1.349	2	120.8245	1.622	4	120.5479	2.218	132	120.6870	2.327	389	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	C[6](C[6]N[5a,6]HH)(C[6a]C[6a]2)(O[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6](C[6]N[5a,6]HH)(C[6a]C[6a]2)(O[6]C[6])(H){3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.6650	1.715	2	120.8245	1.622	4	120.5479	2.218	132	120.6870	2.327	389	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:S[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]S[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(S[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]S[6]H)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(S[6]C[6])(H){1|C<4>,1|N<3>,1|S<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|S<2>,3|H<1>}	120.9520	1.308	4	120.9520	1.710	4	120.8332	2.852	6	120.6870	2.327	389	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:S[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]S[6]H)(C[6a]C[6a]H)2	C[6](C[6]N[5a,6]HH)(C[6a]C[6a]2)(S[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]S[6]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6](C[6]N[5a,6]HH)(C[6a]C[6a]2)(S[6]C[6])(H){3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|S<2>,3|H<1>}	120.5955	2.993	2	120.5955	8.959	2	120.8332	2.852	6	120.6870	2.327	389	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[6]-4:C[6a]-3:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]N[6]O[6]H)(C[6a]C[6a]H)(C[6a]C[6a]P)	C[6](N[6]C[6,6a]RuH)(C[6a]C[6a]2)(O[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]N[6]O[6]H)(C[6a]C[6a]H)(C[6a]C[6a]P){1|Ru<8>,1|C<4>,2|C<3>,3|H<1>}	C[6](N[6]C[6,6a]RuH)(C[6a]C[6a]2)(O[6]C[6])(H){1|P<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<4>,1|O<2>,1|P<4>,2|H<1>}	120.8250	0.000	1	120.8250	0.000	1	120.8250	0.000	1	120.6870	2.327	389	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	P[6]-4:C[6a]-3:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]O[6]P[6]H)(C[6a]C[6a]H)2	C[6](P[6]C[5,6,6]C[6a]2)(C[6a]C[6a]2)(O[6]B[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]O[6]P[6]H)(C[6a]C[6a]H)2{1|B<4>,1|C<4>,2|H<1>,3|C<3>}	C[6](P[6]C[5,6,6]C[6a]2)(C[6a]C[6a]2)(O[6]B[6])(H){2|C<4>,3|H<1>,8|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,1|P<4>,3|H<1>}	120.3315	0.074	2	120.3315	0.006	2	120.2845	0.237	6	120.6870	2.327	389	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	P[6]-4:C[6a]-3:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]O[6]P[6]H)(C[6a]C[6a]H)2	C[6](P[6]C[6a]2C[6])(C[6a]C[6a]2)(O[6]B[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]O[6]P[6]H)(C[6a]C[6a]H)2{1|B<4>,1|C<4>,2|H<1>,3|C<3>}	C[6](P[6]C[6a]2C[6])(C[6a]C[6a]2)(O[6]B[6])(H){1|C<4>,4|H<1>,8|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,1|P<4>,3|H<1>}	120.5800	0.457	2	120.2610	0.391	4	120.2845	0.237	6	120.6870	2.327	389	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	P[6]-4:C[6a]-3:O[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]O[6]P[6]H)(C[6a]C[6a]H)2	C[6](P[6]C[6a]2C[6])(C[6a]C[6a]2)(O[6]B[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]O[6]P[6]H)(C[6a]C[6a]H)2{1|B<4>,1|C<4>,2|H<1>,3|C<3>}	C[6](P[6]C[6a]2C[6])(C[6a]C[6a]2)(O[6]B[6])(H){2|C<4>,3|H<1>,8|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,1|P<4>,3|H<1>}	119.9420	0.747	2	120.2610	0.391	4	120.2845	0.237	6	120.6870	2.327	389	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	P[6]-4:C[6a]-3:Se[6]-2:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[6a](C[6]Se[6]P[6]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H)	C[6](P[6]C[6a]Se[6]Se)(C[6a]C[6a]2)(Se[6]P[6])(H)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[6])(H)	C[6a](C[6]Se[6]P[6]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|Se<1>,1|Se<2>,1|H<1>,1|O<2>,1|P<4>,2|C<3>}	C[6](P[6]C[6a]Se[6]Se)(C[6a]C[6a]2)(Se[6]P[6])(H){1|Se<1>,1|C<4>,2|H<1>,5|C<3>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[6])(H){1|Se<2>,1|C<3>,1|C<4>,1|O<2>,1|P<4>,2|H<1>}	120.6580	0.000	1	120.6580	0.000	1	120.6580	0.000	1	120.6870	2.327	389	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	P[6]-4:C[6a]-3:Se[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]Se[6]P[6]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H)	C[6](P[6]C[6a]Se[6]Se)(C[6a]C[6a]2)(Se[6]P[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[5,6a]H)(H)	C[6a](C[6]Se[6]P[6]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|Se<1>,1|Se<2>,1|H<1>,1|O<2>,1|P<4>,2|C<3>}	C[6](P[6]C[6a]Se[6]Se)(C[6a]C[6a]2)(Se[6]P[6])(H){1|Se<1>,1|C<4>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[5,6a]H)(H){1|Se<2>,1|C<3>,1|O<2>,1|P<4>,2|H<1>}	119.0670	0.000	1	119.0670	0.000	1	120.5405	2.581	4	120.6870	2.327	389	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	P[6]-4:C[6a]-3:Se[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]Se[6]P[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6](P[6]C[6a]Se[6]Se)(C[6a]C[6a]2)(Se[6]P[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]Se[6]P[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|Se<1>,1|Se<2>,1|P<4>,2|C<3>,2|H<1>}	C[6](P[6]C[6a]Se[6]Se)(C[6a]C[6a]2)(Se[6]P[6])(H){1|Se<1>,1|C<4>,1|H<1>,1|O<2>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Se<2>,1|C<3>,1|H<1>,1|P<4>,2|O<2>}	122.5840	0.000	1	122.5840	0.000	1	120.5405	2.581	4	120.6870	2.327	389	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	P[6]-4:C[6a]-3:Se[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]Se[6]P[6]H)(C[6a]C[6a]H)2	C[6](P[6]C[6a]Se[6]Se)(C[6a]C[6a]2)(Se[6]P[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]Se[6]P[6]H)(C[6a]C[6a]H)2{1|Se<1>,1|Se<2>,1|H<1>,1|O<2>,1|P<4>,2|C<3>}	C[6](P[6]C[6a]Se[6]Se)(C[6a]C[6a]2)(Se[6]P[6])(H){1|Se<1>,1|C<4>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Se<2>,1|C<3>,1|P<4>,3|H<1>}	121.0410	0.000	1	121.0410	0.000	1	120.5405	2.581	4	120.6870	2.327	389	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	P[6]-4:C[6a]-3:Se[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]Se[6]P[6]H)(C[6a]C[6a]H)2	C[6](P[6]C[6a]Se[6]Se)(C[6a]C[6a]2)(Se[6]P[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H)	C[6a](C[6]Se[6]P[6]H)(C[6a]C[6a]H)2{1|Se<1>,1|Se<2>,1|H<1>,1|O<2>,1|P<4>,2|C<3>}	C[6](P[6]C[6a]Se[6]Se)(C[6a]C[6a]2)(Se[6]P[6])(H){1|Se<1>,1|C<4>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H){1|Se<2>,1|C<3>,1|P<4>,3|H<1>}	119.4700	0.000	1	119.4700	0.000	1	120.5405	2.581	4	120.6870	2.327	389	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	Si[6]-4:C[6a]-3:S[6]-2:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]Si[6]S[6]H)(C[6a]C[6a]H)2	C[6](Si[6]C[6,6a]CC)(C[6a]C[6a]2)(S[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]Si[6]S[6]H)(C[6a]C[6a]H)2{2|C<3>,2|H<1>,3|C<4>}	C[6](Si[6]C[6,6a]CC)(C[6a]C[6a]2)(S[6]C[6])(H){4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Si<4>,1|C<3>,1|S<2>,3|H<1>}	121.0662	0.871	4	121.0662	0.758	4	121.0662	0.758	4	120.6870	2.327	389	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:2:1:	3:3:2:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:O[6]-2:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6]C[5,6]O[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(O[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6]C[5,6]O[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(O[6]C[6])(H){1|O<2>,1|S<2>,2|C<3>,2|C<4>,6|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.7940	0.000	1	120.7940	0.000	1	120.7940	0.000	1	119.6302	0.828	5	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:2:1:	3:3:2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6a]-3:O[6]-2:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(O[6]C[5a,6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){2|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(O[6]C[5a,6])(H){1|N<3>,2|O<2>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	118.8150	0.000	1	118.8150	0.000	1	119.5765	1.160	2	119.6302	0.828	5	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:2:1:	3:3:2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6a]-3:O[6]-2:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(O[6]C[6,6a])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|N<3>,1|O<2>,4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.3380	0.000	1	120.3380	0.000	1	119.5765	1.160	2	119.6302	0.828	5	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:2:1:	3:3:2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6](C[6]C[6]SeH)(C[6a]C[6a]2)(O[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|Se<2>,1|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6]SeH)(C[6a]C[6a]2)(O[6]C[6])(H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	118.7600	0.000	1	118.7600	0.000	1	118.7600	0.000	1	119.6302	0.828	5	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:2:1:	3:3:2:	C[6]-4:C[6a]-3:C[6a]-3:	P[6]-4:C[6a]-3:Se[6]-2:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6]Se[6]P[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6](P[6]C[6a]Se[6]Se)(C[6a]C[6a]2)(Se[6]P[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6]Se[6]P[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|Se<1>,1|Se<2>,1|P<4>,2|C<3>,2|H<1>}	C[6](P[6]C[6a]Se[6]Se)(C[6a]C[6a]2)(Se[6]P[6])(H){1|Se<1>,1|C<4>,1|H<1>,1|O<2>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|Se<2>,1|C<3>,1|O<2>,1|P<4>,2|H<1>}	119.4440	0.000	1	119.4440	0.000	1	119.4440	0.000	1	119.6302	0.828	5	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:2:1:	3:3:3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(O[6]O[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NOO)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(O[6]O[6])(H){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NOO){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	124.0300	0.977	2	124.0300	0.955	2	124.0300	0.955	2	124.0300	0.955	2	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:2:1:	3:3:4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6a]-3:O[6]-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(O[6]C[5a,6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3)	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(O[6]C[5a,6])(H){1|C<4>,1|N<3>,1|O<2>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	121.5730	0.000	1	121.5730	0.000	1	121.1587	0.231	3	121.8904	6.141	5	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:2:1:	3:3:4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6a]-3:O[6]-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(O[6]C[6,6a])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3)	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]C)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|C<4>,1|N<3>,1|O<2>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.6320	0.000	1	120.6320	0.000	1	121.1587	0.231	3	121.8904	6.141	5	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:2:1:	3:3:4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6a]-3:O[6]-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3)	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6])(H){1|N<3>,2|C<4>,3|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	121.2710	0.000	1	121.2710	0.000	1	121.1587	0.231	3	121.8904	6.141	5	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:2:1:	3:3:4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6](C[6]C[5,6]BrH)(C[6a]C[6a]2)(O[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CC[5]HH)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|Br<1>,1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[5,6]BrH)(C[6a]C[6a]2)(O[6]C[6])(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>,3|C<4>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CC[5]HH){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	126.1570	0.000	1	126.1570	0.000	1	126.1570	0.000	1	121.8904	6.141	5	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:2:1:	3:3:4:	C[6]-4:C[6a]-3:C[6a]-3:	N[6]-4:C[6a]-3:O[6]-2:H-1:	C[6a]-3:C[6a]-3:P-4:	C[6a](C[6]N[6]O[6]H)(C[6a]C[6a]H)(C[6a]C[6a]P)	C[6](N[6]C[6,6a]RuH)(C[6a]C[6a]2)(O[6]C[6])(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(PC[6a]2Ru)	C[6a](C[6]N[6]O[6]H)(C[6a]C[6a]H)(C[6a]C[6a]P){1|Ru<8>,1|C<4>,2|C<3>,3|H<1>}	C[6](N[6]C[6,6a]RuH)(C[6a]C[6a]2)(O[6]C[6])(H){1|P<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(PC[6a]2Ru){1|C<3>,1|N<4>,1|O<2>,3|H<1>}	119.8190	0.000	1	119.8190	0.000	1	119.8190	0.000	1	121.8904	6.141	5	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:2:2:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:O[6]-2:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]O[6]O)(C[6a]C[6a]H)2	C[6](C[5,6]C[5,6]S[5]O)(C[6a]C[6a]2)(O[6]C[6,6a])(OC)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]O[6]O)(C[6a]C[6a]H)2{1|O<2>,1|S<2>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6]S[5]O)(C[6a]C[6a]2)(O[6]C[6,6a])(OC){1|N<2>,1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,2|O<2>}	120.4650	1.684	2	120.4650	2.837	2	120.5320	1.647	6	120.7747	1.422	18	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:2:2:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:O[6]-2:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]O[6]O)(C[6a]C[6a]H)2	C[6](C[5,6]C[5]C[6]O[5])(C[6a]C[6a]2)(O[6]C[6,6a])(OC)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]O[6]O)(C[6a]C[6a]H)2{1|O<2>,2|H<1>,4|C<3>}	C[6](C[5,6]C[5]C[6]O[5])(C[6a]C[6a]2)(O[6]C[6,6a])(OC){1|O<1>,2|C<4>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	120.3050	1.829	2	120.3050	3.344	2	120.5320	1.647	6	120.7747	1.422	18	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:2:2:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:O[6]-2:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]O[6]O)(C[6a]C[6a]H)2	C[6](C[5,6]N[5,6]C[6a]O[5])(C[6a]C[6a]2)(O[6]C[6])(OH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]O[6]O)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[5,6]N[5,6]C[6a]O[5])(C[6a]C[6a]2)(O[6]C[6])(OH){2|C<4>,4|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	120.8260	1.329	2	120.8260	1.767	2	120.5320	1.647	6	120.7747	1.422	18	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:2:2:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:S[6]-2:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]S[6]O)(C[6a]C[6a]H)2	C[6](C[5,6]N[5,6]C[5]H)(C[6a]C[6a]2)(S[6]C[6,6a])(OH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]S[6]O)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6a]C[6a]2)(S[6]C[6,6a])(OH){3|H<1>,7|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,1|S<2>,2|H<1>}	120.9535	2.249	2	120.9535	5.059	2	120.9535	5.059	2	120.7747	1.422	18	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:2:2:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:O[6]-2:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]O)(C[6a]C[6a]H)2	C[6](C[6]C[5,6]C[6a]H)(C[6a]C[6a]2)(O[6]C[6])(OH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]O)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]C[6a]H)(C[6a]C[6a]2)(O[6]C[6])(OH){1|Ru<10>,2|C<4>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	120.2240	2.618	2	120.2240	6.852	2	120.6613	1.804	6	120.7747	1.422	18	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:2:2:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:O[6]-2:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]O)(C[6a]C[6a]H)2	C[6](C[6]C[6]BrH)(C[6a]C[6a]2)(O[6]C[6,6])(OC)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]O)(C[6a]C[6a]H)2{1|Br<1>,1|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6]BrH)(C[6a]C[6a]2)(O[6]C[6,6])(OC){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	120.8800	0.729	4	120.8800	0.532	4	120.6613	1.804	6	120.7747	1.422	18	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:2:2:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:S[6]-2:S[6]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]S[6]2)(C[6a]C[6a]H)2	C[6](C[6]C[6a]S[6]2)(C[6a]C[6a]2)(S[6]C[6])2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]S[6]2)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|H<1>,2|S<2>}	C[6](C[6]C[6a]S[6]2)(C[6a]C[6a]2)(S[6]C[6])2{3|C<4>,4|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|S<2>}	121.2195	0.435	4	121.2195	0.189	4	121.2195	0.189	4	120.7747	1.422	18	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:2:3:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:O[6]-2:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]C)(C[6a]C[6a]H)2	C[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(O[6]C[6])(COO)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]C)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(O[6]C[6])(COO){4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.6695	0.309	2	120.6695	0.095	2	120.9257	5.836	12	120.9257	5.836	12	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:2:3:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:O[6]-2:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]C)(C[6a]C[6a]H)2	C[6](C[6]C[6]ClH)(C[6a]C[6a]2)(O[6]C[6])(CC[6a]O)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]C)(C[6a]C[6a]H)2{1|Cl<1>,1|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6]ClH)(C[6a]C[6a]2)(O[6]C[6])(CC[6a]O){1|C<4>,2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	121.0970	1.376	2	121.0970	1.893	2	120.9257	5.836	12	120.9257	5.836	12	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:2:3:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:O[6]-2:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]C)(C[6a]C[6a]H)2	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(O[6]C[6])(COO)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]C)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(O[6]C[6])(COO){1|C<4>,4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.9470	2.976	8	120.9470	8.859	8	120.9257	5.836	12	120.9257	5.836	12	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:2:4:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:O[6]-2:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]C)(C[6a]C[6a]H)2	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(O[6]C[6])(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]C)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(O[6]C[6])(CH3){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	120.9297	2.157	4	120.8789	5.597	10	120.8091	3.027	22	120.8091	3.027	22	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:2:4:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:O[6]-2:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]C)(C[6a]C[6a]H)2	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(O[6]C[6])(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]C)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(O[6]C[6])(CH3){2|C<3>,2|C<4>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	120.8045	1.873	2	120.8789	5.597	10	120.8091	3.027	22	120.8091	3.027	22	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:2:4:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:O[6]-2:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]C)(C[6a]C[6a]H)2	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(O[6]C[6])(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]C)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(O[6]C[6])(CH3){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	120.8653	3.311	4	120.8789	5.597	10	120.8091	3.027	22	120.8091	3.027	22	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:2:4:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:O[6]-2:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]C)(C[6a]C[6a]H)2	C[6](C[6]C[5a,6]HH)(C[6a]C[6a]2)(O[6]C[6])(CF3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]C)(C[6a]C[6a]H)2{3|C<3>,4|H<1>}	C[6](C[6]C[5a,6]HH)(C[6a]C[6a]2)(O[6]C[6])(CF3){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	120.5080	0.433	2	120.5080	0.187	2	120.8091	3.027	22	120.8091	3.027	22	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:2:4:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:O[6]-2:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]C)(C[6a]C[6a]H)2	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(O[6]B[6])(CClHH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]C)(C[6a]C[6a]H)2{1|B<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(O[6]B[6])(CClHH){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	120.8970	0.269	2	120.8970	0.072	2	120.8091	3.027	22	120.8091	3.027	22	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:2:4:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:O[6]-2:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]C)(C[6a]C[6a]H)2	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(O[6]O[6])(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]C)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(O[6]O[6])(CH3){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	120.7660	0.256	2	120.7660	0.066	2	120.8091	3.027	22	120.8091	3.027	22	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:2:4:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:O[6]-2:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]C)(C[6a]C[6a]H)2	C[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(O[6]C[6])(CF3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]C)(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(O[6]C[6])(CF3){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	120.2590	0.935	2	120.2590	0.874	2	120.8091	3.027	22	120.8091	3.027	22	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:2:4:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:O[6]-2:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]O[6]C)(C[6a]C[6a]H)2	C[6](C[6]C[6]BrH)(C[6a]C[6a]2)(O[6]C[6])(CH3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]O[6]C)(C[6a]C[6a]H)2{1|Br<1>,1|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6]BrH)(C[6a]C[6a]2)(O[6]C[6])(CH3){2|C<3>,3|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	121.0378	1.909	4	121.0378	3.644	4	120.8091	3.027	22	120.8091	3.027	22	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	B[6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6]B[6]C[6]H)(C[6a]C[6a]F)2	C[6](B[6]C[6a]2O[6])(C[6a]C[6a]2)(C[6]O[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]F)(F)	C[6a](C[6]B[6]C[6]H)(C[6a]C[6a]F)2{2|F<1>,2|O<2>,4|C<3>}	C[6](B[6]C[6a]2O[6])(C[6a]C[6a]2)(C[6]O[6]C)(H){2|F<1>,7|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]F)(F){1|B<4>,1|H<1>,2|C<3>,2|F<1>}	122.6855	3.582	4	122.6855	12.834	4	122.6855	12.834	4	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[3,6]-4:C[6,6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[3,6]C[6,6]H)(C[6a]C[6a]H)2	C[6](C[3,6]C[3,6]N[3]C)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[3,6]C[6,6]H)(C[6a]C[6a]H)2{1|C<2>,1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[6](C[3,6]C[3,6]N[3]C)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	120.4030	1.567	2	120.4262	0.809	6	120.4262	0.809	6	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[3,6]-4:C[6,6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[3,6]C[6,6]H)(C[6a]C[6a]H)2	C[6](C[3,6]C[3,6]N[3]C)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[3,6]C[6,6]H)(C[6a]C[6a]H)2{1|C<2>,1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6](C[3,6]C[3,6]N[3]C)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|O<1>,2|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	120.2795	0.735	2	120.4262	0.809	6	120.4262	0.809	6	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[3,6]-4:C[6,6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[3,6]C[6,6]H)(C[6a]C[6a]H)2	C[6](C[3,6]C[3,6]N[3]C)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[3,6]C[6,6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6](C[3,6]C[3,6]N[3]C)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|O<1>,2|O<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	120.5960	0.974	2	120.4262	0.809	6	120.4262	0.809	6	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[3,6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[3,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[3,6]N[3,6]C[3]C)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[3,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6](C[3,6]N[3,6]C[3]C)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	119.8985	1.040	2	119.8985	1.082	2	119.8985	1.082	2	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[3,6]-4:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[3,6]N[6]H)(C[6a]C[6a]H)2	C[6](C[3,6]C[6,6a]C[3]2)(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[3,6]N[6]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	C[6](C[3,6]C[6,6a]C[3]2)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|O<1>,4|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	121.1975	3.088	2	121.1985	6.774	4	121.1985	6.774	4	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[3,6]-4:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[3,6]N[6]H)(C[6a]C[6a]H)2	C[6](C[3,6]C[6,6a]C[3]2)(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[3,6]N[6]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	C[6](C[3,6]C[6,6a]C[3]2)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|O<1>,4|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	121.1995	3.285	2	121.1985	6.774	4	121.1985	6.774	4	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[3x6]-4:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[3x6]N[6]H)(C[6a]C[6a]H)2	C[6](C[3x6]C[4x6]C[6,6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[3x6]N[6]H)(C[6a]C[6a]H)2{1|C<3>,3|C<4>,4|H<1>}	C[6](C[3x6]C[4x6]C[6,6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|C<4>,1|N<3>,1|O<2>,4|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|F<1>,1|N<3>,2|H<1>}	120.8690	1.466	4	120.8690	2.149	4	120.8690	2.149	4	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[4,5,6]-4:C[5,6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[4,5,6]C[5,6]H)(C[6a]C[6a]H)2	C[6](C[4,5,6]C[4,5,6]C[4]O[5])(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[4,5,6]C[5,6]H)(C[6a]C[6a]H)2{1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[6](C[4,5,6]C[4,5,6]C[4]O[5])(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<2>,5|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.8660	1.192	2	120.8660	1.421	2	120.8660	1.421	2	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[4,6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[4,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[4,6]C[4,6]C[4]C)(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[4,6]C[6]H)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,4|C<3>}	C[6](C[4,6]C[4,6]C[4]C)(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,2|C<3>,3|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.9493	1.389	4	120.9493	1.929	4	120.9493	1.929	4	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[4,6]-4:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[4,6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6](C[4,6]C[4,6a]C[4,6]H)(C[6a]C[6a]2)(N[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[4,6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,3|H<1>,4|C<3>}	C[6](C[4,6]C[4,6a]C[4,6]H)(C[6a]C[6a]2)(N[6]C[6]C)(H){1|N<3>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|N<3>}	123.3010	0.000	1	123.3010	0.000	1	123.3010	0.000	1	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,5,6,6]-4:C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,5,6,6]C[6,6a]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]C[5])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,5,6,6]C[6,6a]H)(C[6a]C[6a]H)(C[6a]C[6a]O){2|C<4>,2|H<1>,4|C<3>}	C[6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]C[5])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H){1|O<1>,2|O<2>,3|C<4>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	119.5430	0.000	1	119.5430	0.000	1	119.5430	0.000	1	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6,6]-4:N[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6,6]N[6]H)(C[6a]C[6a]H)2	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Cl)(H)	C[6a](C[6]C[5,6,6]N[6]H)(C[6a]C[6a]H)2{1|Cl<1>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){3|C<4>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Cl)(H){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	119.8840	0.000	1	119.8840	0.000	1	120.5265	0.826	2	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6,6]-4:N[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6,6]N[6]H)(C[6a]C[6a]H)2	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6,6]N[6]H)(C[6a]C[6a]H)2{1|Cl<1>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){3|C<4>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	121.1690	0.000	1	121.1690	0.000	1	120.5265	0.826	2	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5,6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]2H)(C[6a]C[6a]H)2	C[6](C[5,6]C[5,6]C[5]C)(C[5,6]P[5,6]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]2H)(C[6a]C[6a]H)2{1|P<3>,2|C<4>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]C)(C[5,6]P[5,6]C[5])(C[6a]C[6a]2)(H){1|P<3>,2|C<4>,4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	121.5800	3.792	2	121.5800	14.376	2	121.0482	3.476	8	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5,6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]2H)(C[6a]C[6a]H)2	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]2H)(C[6a]C[6a]H)2{2|C<3>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,2|O<2>,3|C<3>,7|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.9675	1.986	2	120.8995	2.863	4	121.0482	3.476	8	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5,6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]2H)(C[6a]C[6a]H)2	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]2H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,2|O<2>,4|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.8315	2.150	2	120.8995	2.863	4	121.0482	3.476	8	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5,6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]2H)(C[6a]C[6a]H)2	C[6](C[5,6]C[5,6]C[6a]C[5])(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H)	C[6a](C[6]C[5,6]2H)(C[6a]C[6a]H)2{2|C<4>,6|C<3>}	C[6](C[5,6]C[5,6]C[6a]C[5])(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H){2|C<4>,3|H<1>,8|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H){1|C<4>,2|C<3>,3|H<1>}	120.8140	0.776	2	120.8140	0.603	2	121.0482	3.476	8	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5a,6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5a,6]C[5,6]H)(C[6a]C[6a]H)2	C[6](C[5,6]C[5,6a]O[5,6]C[6a])(C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5a,6]C[5,6]H)(C[6a]C[6a]H)2{1|O<2>,2|H<1>,5|C<3>}	C[6](C[5,6]C[5,6a]O[5,6]C[6a])(C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(H){1|O<2>,2|C<4>,2|H<1>,7|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.9683	0.977	4	120.9683	0.955	4	120.9683	0.955	4	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6,6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]C[6,6]H)(C[6a]C[6a]H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]C[6,6]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,3|C<3>,3|C<4>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	121.3335	1.484	2	121.3335	2.203	2	121.3335	2.203	2	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[5,6]H)(C[6a]C[6a]H)2	C[6](C[5,6]C[5,6,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[5,6]H)(C[6a]C[6a]H)2{1|C<4>,3|H<1>,4|C<3>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|C<4>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.8217	1.083	4	120.8728	3.246	6	121.0176	3.287	8	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[5,6]H)(C[6a]C[6a]H)2	C[6](C[5,6]C[5,6,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[5,6]H)(C[6a]C[6a]H)2{1|C<4>,3|H<1>,4|C<3>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|C<4>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	120.9750	3.561	2	120.8728	3.246	6	121.0176	3.287	8	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[5,6]H)(C[6a]C[6a]H)2	C[6](C[5,6]C[5,6,6a]C[6a]O[5])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[5,6]H)(C[6a]C[6a]H)2{1|O<2>,2|H<1>,5|C<3>}	C[6](C[5,6]C[5,6,6a]C[6a]O[5])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H){1|C<4>,3|H<1>,8|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	121.4520	2.506	2	121.4520	6.280	2	121.0176	3.287	8	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]C)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]C)(C[6a]C[6a]2)(H){1|Cl<1>,1|O<2>,3|C<3>,3|H<1>,3|N<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	121.4570	0.000	1	121.4570	0.000	1	121.0485	0.334	2	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]H)(C[6a]C[6a]2)(H){1|Cl<1>,1|C<4>,1|O<1>,2|H<1>,2|O<2>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl){1|C<4>,2|C<3>,3|H<1>}	120.6400	0.000	1	120.6400	0.000	1	121.0485	0.334	2	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]C)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]C)(C[6a]C[6a]2)(H){1|Cl<1>,1|O<2>,3|C<3>,3|H<1>,3|N<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	122.7120	0.000	1	122.7120	0.000	1	121.7028	5.949	9	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]H)(C[6a]C[6a]2)(H){1|Cl<1>,1|C<4>,1|O<1>,2|H<1>,2|O<2>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	122.6560	0.000	1	122.6560	0.000	1	121.7028	5.949	9	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,3|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]H)(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>,3|O<2>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	124.2830	0.000	1	124.2830	0.000	1	121.7028	5.949	9	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]C)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,3|H<1>,4|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]C)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	120.9345	3.376	2	120.9457	7.113	6	121.7028	5.949	9	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]C)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,3|H<1>,4|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]C)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<2>,1|C<4>,2|C<3>,2|H<1>}	120.9420	3.173	2	120.9457	7.113	6	121.7028	5.949	9	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]C)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,3|H<1>,4|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]C)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.9605	3.754	2	120.9457	7.113	6	121.7028	5.949	9	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:Br-1:	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Br)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]Br)(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]H)(H){1|Br<1>,1|N<3>,1|O<1>,1|S<2>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Br){1|C<4>,2|C<3>,3|H<1>}	123.2340	0.000	1	123.2340	0.000	1	123.2340	0.000	1	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]Br)(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]H)(H){1|Br<1>,1|N<3>,1|O<1>,1|S<2>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	120.3750	0.000	1	120.3750	0.000	1	121.0127	1.774	117	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]I)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(C[6]O[6]O)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]I){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(C[6]O[6]O)(H){1|C<4>,1|I<1>,1|N<2>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|I<1>,2|C<3>,2|H<1>}	120.5730	0.000	1	120.5730	0.000	1	121.0127	1.774	117	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,3|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	120.9245	0.022	2	120.9245	0.000	2	121.0127	1.774	117	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6](C[5,6]C[5,6a]O[5,6]H)(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,2|H<1>,2|O<2>,3|C<3>}	C[6](C[5,6]C[5,6a]O[5,6]H)(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|N<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	122.8500	0.000	1	122.8500	0.000	1	121.0127	1.774	117	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(C[6]O[6]O)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(C[6]O[6]O)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	122.1340	0.000	1	122.1340	0.000	1	121.0127	1.774	117	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,2|H<1>,5|C<3>}	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,2|H<1>,2|O<1>,2|O<2>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	122.7620	0.000	1	122.7620	0.000	1	121.0127	1.774	117	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[5,6]C[5,6,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{1|C<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]C)(H){2|C<3>,2|N<3>,3|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	121.8245	0.247	2	121.8245	0.061	2	121.0127	1.774	117	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[5,6]C[5,6]C[5]2)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{3|H<1>,5|C<3>}	C[6](C[5,6]C[5,6]C[5]2)(C[6a]C[6a]2)(C[6]C[6]H)(H){2|O<1>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	121.5705	1.374	2	121.2253	1.215	6	121.0127	1.774	117	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[5,6]C[5,6]C[5]2)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{3|H<1>,5|C<3>}	C[6](C[5,6]C[5,6]C[5]2)(C[6a]C[6a]2)(C[6]C[6]H)(H){2|O<1>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	121.0528	1.130	4	121.2253	1.215	6	121.0127	1.774	117	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|Si<4>,1|C<4>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.5435	0.500	2	120.5435	0.250	2	121.0127	1.774	117	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,3|H<1>,4|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	121.2092	1.656	4	121.4117	2.859	8	121.0127	1.774	117	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,3|H<1>,4|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]C)(H){1|O<1>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	121.4495	3.241	2	121.4117	2.859	8	121.0127	1.774	117	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	121.7790	0.919	2	121.4117	2.859	8	121.0127	1.774	117	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Cl)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{1|Cl<1>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|N<3>,5|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Cl)(H){1|C<4>,2|C<3>,3|H<1>}	119.9050	0.000	1	119.9050	0.000	1	121.0127	1.774	117	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.8350	2.135	4	121.0214	2.066	45	121.0127	1.774	117	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	121.3655	2.872	2	121.0214	2.066	45	121.0127	1.774	117	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|C<4>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.7650	0.687	2	121.0214	2.066	45	121.0127	1.774	117	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|C<4>,4|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	120.7150	0.414	2	121.0214	2.066	45	121.0127	1.774	117	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|N<3>,1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	121.0992	1.240	4	121.0214	2.066	45	121.0127	1.774	117	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|N<3>,4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	121.0475	1.474	26	121.0214	2.066	45	121.0127	1.774	117	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{1|Cl<1>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|N<3>,5|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.8690	0.000	1	121.0214	2.066	45	121.0127	1.774	117	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|C<4>,2|O<2>,3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	121.2500	1.725	2	121.0214	2.066	45	121.0127	1.774	117	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|O<2>,5|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	120.9655	2.355	2	121.0214	2.066	45	121.0127	1.774	117	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]O)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]O)(H){2|C<4>,3|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.5925	0.115	2	120.5925	0.013	2	121.0127	1.774	117	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]N[6]Cl)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{1|Cl<1>,1|C<3>,1|N<2>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]N[6]Cl)(H){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.4680	1.136	2	120.4680	1.290	2	121.0127	1.774	117	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[5,6]C[5,6]C[6a]C[5])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,5|C<3>}	C[6](C[5,6]C[5,6]C[6a]C[5])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|O<1>,1|O<2>,4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	121.2165	2.842	2	121.2165	8.076	2	121.0127	1.774	117	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[5,6]C[5,6]C[6a]N[5])(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{1|N<2>,3|H<1>,4|C<3>}	C[6](C[5,6]C[5,6]C[6a]N[5])(C[6a]C[6a]2)(C[6]C[6]H)(H){1|N<2>,1|O<2>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.8640	2.571	2	120.8640	6.610	2	121.0127	1.774	117	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[5,6]C[5,6]S[5]H)(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{1|C<2>,1|C<4>,1|S<2>,2|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]S[5]H)(C[6a]C[6a]2)(C[6]C[6]C)(H){1|O<2>,2|H<1>,2|N<3>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	120.7678	2.052	4	120.7678	4.209	4	121.0127	1.774	117	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[5,6]C[5,6a]B[6]C[5])(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{1|B<4>,3|H<1>,4|C<3>}	C[6](C[5,6]C[5,6a]B[6]C[5])(C[6a]C[6a]2)(C[6]C[6]H)(H){1|O<3>,3|H<1>,8|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	121.0135	2.559	2	121.0285	3.237	4	121.0127	1.774	117	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[5,6]C[5,6a]B[6]C[5])(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{1|B<4>,3|H<1>,4|C<3>}	C[6](C[5,6]C[5,6a]B[6]C[5])(C[6a]C[6a]2)(C[6]C[6]H)(H){1|O<3>,3|H<1>,8|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	121.0435	1.778	2	121.0285	3.237	4	121.0127	1.774	117	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Cl)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{1|Cl<1>,1|C<4>,1|H<1>,5|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Cl)(H){1|C<4>,2|C<3>,3|H<1>}	123.2710	0.000	1	123.2710	0.000	1	121.0127	1.774	117	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,5|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|O<1>,1|O<2>,4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	120.7752	0.613	8	120.5817	0.666	9	121.0127	1.774	117	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{1|Cl<1>,1|C<4>,1|H<1>,5|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	119.0330	0.000	1	120.5817	0.666	9	121.0127	1.774	117	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[5,6]C[5,6a]N[5a,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{1|C<2>,1|N<3>,2|H<1>,4|C<3>}	C[6](C[5,6]C[5,6a]N[5a,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|O<1>,2|H<1>,3|N<3>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.8615	1.790	2	120.8615	3.203	2	121.0127	1.774	117	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[5,6]C[5,6a]N[5a,6]C[5])(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{1|N<3>,3|H<1>,4|C<3>}	C[6](C[5,6]C[5,6a]N[5a,6]C[5])(C[6a]C[6a]2)(C[6]C[6]H)(H){1|N<3>,1|O<1>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.7362	0.604	4	120.7362	0.364	4	121.0127	1.774	117	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,5|C<3>}	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<2>,1|N<3>,1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.7587	0.860	4	120.7587	0.740	4	121.0127	1.774	117	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,3|H<1>,4|C<3>}	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|C<4>,2|O<1>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	121.0367	1.036	4	121.0367	1.074	4	121.0127	1.774	117	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[5,6]C[5]C[6]S[5])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{1|C<2>,1|C<4>,1|S<2>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5]C[6]S[5])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|O<1>,2|N<3>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	120.6870	2.070	4	120.6870	4.285	4	121.0127	1.774	117	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[5,6]N[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]O)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]O)(H){2|C<4>,3|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	121.0605	0.496	2	121.0605	0.246	2	121.0127	1.774	117	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:I-1:	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]I)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(C[6]O[6]O)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(I)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]I){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(C[6]O[6]O)(H){1|C<4>,1|I<1>,1|N<2>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(I){1|C<4>,2|C<3>,3|H<1>}	121.5340	0.000	1	121.5340	0.000	1	121.5340	0.000	1	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]N[6]H)(C[6a]C[6a]H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]N[6]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.7790	2.947	2	120.7790	8.686	2	120.9791	3.902	14	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]N[6]H)(C[6a]C[6a]H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|C<4>,4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	121.4565	0.489	2	121.4565	0.239	2	120.9791	3.902	14	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]N[6]H)(C[6a]C[6a]H)2	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(N[6]C[6,6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]N[6]H)(C[6a]C[6a]H)2{2|H<1>,3|C<3>,3|C<4>}	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(N[6]C[6,6]C)(H){1|C<4>,1|O<2>,2|O<1>,4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	120.5800	0.670	2	120.7565	1.134	4	120.9791	3.902	14	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]N[6]H)(C[6a]C[6a]H)2	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(N[6]C[6,6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]N[6]H)(C[6a]C[6a]H)2{2|H<1>,3|C<3>,3|C<4>}	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(N[6]C[6,6]C)(H){1|C<4>,1|O<2>,2|O<1>,4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	120.9330	1.681	2	120.7565	1.134	4	120.9791	3.902	14	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]N[6]H)(C[6a]C[6a]H)2	C[6](C[5,6]C[5]C[6]O[5])(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]N[6]H)(C[6a]C[6a]H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5]C[6]O[5])(C[6a]C[6a]2)(N[6]C[6]H)(H){2|C<3>,3|C<4>,8|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.9718	0.773	4	120.9718	0.598	4	120.9791	3.902	14	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]N[6]H)(C[6a]C[6a]H)2	C[6](C[5,6]C[5]C[6]O[5])(C[6a]C[6a]2)(N[6]C[6]S)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]N[6]H)(C[6a]C[6a]H)2{1|O<2>,1|S<4>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5]C[6]O[5])(C[6a]C[6a]2)(N[6]C[6]S)(H){2|C<4>,3|C<3>,7|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	121.1615	5.984	2	121.1615	35.811	2	120.9791	3.902	14	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:N[5,6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]N[5,6]H)(C[6a]C[6a]H)2	C[6](C[5,6]C[5,6]N[5]H)(N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]N[5,6]H)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H){3|C<3>,4|C<4>,7|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.7135	1.217	2	120.7135	1.481	2	120.7135	1.481	2	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:N[6]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]N[6]H)(C[6a]C[5,6a]H)(C[6a]C[6a]Br)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[6])(H)	C[6a](C[6]C[5,6]N[6]H)(C[6a]C[5,6a]H)(C[6a]C[6a]Br){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){1|Br<1>,4|H<1>,6|C<3>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[6])(H){1|Br<1>,1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	119.8225	0.104	2	119.8225	0.011	2	119.8225	0.011	2	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:N[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:Br-1:	C[6a](C[6]C[5,6]N[6]H)(C[6a]C[5,6a]H)(C[6a]C[6a]Br)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[5,6a]H)(Br)	C[6a](C[6]C[5,6]N[6]H)(C[6a]C[5,6a]H)(C[6a]C[6a]Br){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){1|Br<1>,4|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[5,6a]H)(Br){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	122.3610	0.075	2	122.3610	0.006	2	122.7907	0.557	3	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:N[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:Br-1:	C[6a](C[6]C[5,6]N[6]H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	C[6](C[5,6]C[5]2C[6])(N[6]C[6,6]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Br)	C[6a](C[6]C[5,6]N[6]H)(C[6a]C[6a]Br)(C[6a]C[6a]H){2|C<4>,2|H<1>,4|C<3>}	C[6](C[5,6]C[5]2C[6])(N[6]C[6,6]C[6a])(C[6a]C[6a]2)(H){1|Br<1>,1|C<4>,1|O<2>,2|O<1>,3|H<1>,7|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Br){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	123.6500	0.000	1	123.6500	0.000	1	122.7907	0.557	3	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:N[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]N[6]H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	C[6](C[5,6]C[5]2C[6])(N[6]C[6,6]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]N[6]H)(C[6a]C[6a]Br)(C[6a]C[6a]H){2|C<4>,2|H<1>,4|C<3>}	C[6](C[5,6]C[5]2C[6])(N[6]C[6,6]C[6a])(C[6a]C[6a]2)(H){1|Br<1>,1|C<4>,1|O<2>,2|O<1>,3|H<1>,7|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	119.3410	0.000	1	119.3410	0.000	1	120.7344	2.171	47	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:N[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]N){2|C<3>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<2>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|N<3>}	119.0855	0.062	2	119.0855	0.004	2	120.7344	2.171	47	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:N[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]N[6]H)(C[6a]C[6a]H)2	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]C)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]N[6]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]C)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,4|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.9670	3.936	2	120.9670	15.490	2	120.7344	2.171	47	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:N[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]N[6]H)(C[6a]C[6a]H)2	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]N[6]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){1|C<4>,1|O<2>,4|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	120.9878	1.306	4	120.8837	1.989	32	120.7344	2.171	47	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:N[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]N[6]H)(C[6a]C[6a]H)2	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]N[6]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){1|C<4>,1|O<2>,4|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|F<1>,1|N<3>,2|H<1>}	121.1640	0.574	2	120.8837	1.989	32	120.7344	2.171	47	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:N[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]N[6]H)(C[6a]C[6a]H)2	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]N[6]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){1|C<4>,1|O<2>,4|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	120.8033	1.348	4	120.8837	1.989	32	120.7344	2.171	47	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:N[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]N[6]H)(C[6a]C[6a]H)2	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]N[6]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){1|C<4>,1|O<2>,4|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.8332	1.486	10	120.8837	1.989	32	120.7344	2.171	47	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:N[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]N[6]H)(C[6a]C[6a]H)2	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]N[6]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){1|C<4>,1|O<2>,4|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|N<3>}	120.6815	0.173	2	120.8837	1.989	32	120.7344	2.171	47	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:N[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]N[6]H)(C[6a]C[6a]H)2	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]N[6]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){1|C<4>,1|O<2>,4|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	121.0153	1.361	4	120.8837	1.989	32	120.7344	2.171	47	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:N[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]N[6]H)(C[6a]C[6a]H)2	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]N[6]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){5|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|F<1>,1|N<3>,2|H<1>}	120.8570	1.778	2	120.8837	1.989	32	120.7344	2.171	47	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:N[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]N[6]H)(C[6a]C[6a]H)2	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]N[6]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){5|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.8290	2.690	4	120.8837	1.989	32	120.7344	2.171	47	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:N[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]N[6]H)(C[6a]C[6a]H)2	C[6](C[5,6]C[5,6]C[6a]O[5])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]C[6a]O[5])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){1|C<4>,3|H<1>,7|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.2970	1.529	2	120.5510	0.988	4	120.7344	2.171	47	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:N[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]N[6]H)(C[6a]C[6a]H)2	C[6](C[5,6]C[5,6]C[6a]O[5])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]C[6a]O[5])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){2|C<4>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.8050	0.607	2	120.5510	0.988	4	120.7344	2.171	47	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:N[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]N[6]H)(C[6a]C[6a]H)2	C[6](C[5,6]C[5]2C[6])(N[6]C[5a,6]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,3|H<1>,4|C<3>}	C[6](C[5,6]C[5]2C[6])(N[6]C[5a,6]H)(C[6a]C[6a]2)(H){1|N<3>,2|C<4>,2|O<1>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	121.2130	2.300	2	121.2130	5.288	2	120.7344	2.171	47	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:N[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]N[6]H)(C[6a]C[6a]H)2	C[6](C[5,6]C[5]2C[6])(N[6]C[6,6a]S)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|S<4>,2|H<1>,4|C<3>}	C[6](C[5,6]C[5]2C[6])(N[6]C[6,6a]S)(C[6a]C[6a]2)(H){1|C<4>,1|N<2>,1|O<1>,1|O<2>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.4575	0.883	2	120.4575	0.780	2	120.7344	2.171	47	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:N[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]N[6]H)(C[6a]C[6a]H)2	C[6](C[5,6]C[5]C[6]N[5])(N[6]C[6,6a]C)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]N[6]H)(C[6a]C[6a]H)2{1|N<2>,2|C<4>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5]C[6]N[5])(N[6]C[6,6a]C)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.6230	2.171	2	120.6230	4.712	2	120.7344	2.171	47	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[5,6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:Br-1:	C[6a](C[6]C[5,6]C[6,6]H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	C[6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Br)	C[6a](C[6]C[5,6]C[6,6]H)(C[6a]C[6a]Br)(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H){1|Br<1>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Br){1|C<4>,2|C<3>,3|H<1>}	122.7100	0.000	1	122.7100	0.000	1	122.7100	0.000	1	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[5,6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]C[6,6]H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	C[6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]C[6,6]H)(C[6a]C[6a]Br)(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H){1|Br<1>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	120.6720	0.000	1	120.6720	0.000	1	121.1794	1.485	7	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[5,6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]C[6,6]H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]C[6,6]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	121.3275	0.606	2	121.2850	2.687	4	121.1794	1.485	7	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[5,6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]C[6,6]H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]C[6,6]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	121.2425	2.773	2	121.2850	2.687	4	121.1794	1.485	7	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[5,6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]C[6,6]H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6]S[6]H)(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]C[6,6]H)(C[6a]C[6a]H)2{1|S<2>,3|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]S[6]H)(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	121.2220	0.738	2	121.2220	0.545	2	121.1794	1.485	7	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6,6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[6]C[6,6]2H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Cl)(Cl)	C[6a](C[6]C[6,6]2H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|Cl<1>,1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|Cl<1>,1|H<1>,2|C<3>,2|O<1>,2|O<2>,4|C<4>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Cl)(Cl){1|C<4>,2|C<3>,3|H<1>}	120.7060	0.000	1	120.7060	0.000	1	120.7060	0.000	1	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6,6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]2H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]2H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|Cl<1>,1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|Cl<1>,1|H<1>,2|C<3>,2|O<1>,2|O<2>,4|C<4>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	121.3630	0.000	1	121.3630	0.000	1	121.2648	1.301	21	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6,6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]2H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]2H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,3|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|H<1>,2|C<3>,2|O<1>,3|O<2>,4|C<4>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	123.1825	0.339	2	123.1825	0.115	2	121.2648	1.301	21	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6,6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]2H)(C[6a]C[6a]H)2	C[6](C[6,6]C[3x6]C[6]H)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]2H)(C[6a]C[6a]H)2{2|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[3x6]C[6]H)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|N<3>,1|O<2>,2|C<3>,4|C<4>,6|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.9393	0.483	4	120.9393	0.233	4	121.2648	1.301	21	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6,6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]2H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]2H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){2|C<3>,2|H<1>,2|O<1>,2|O<2>,4|C<4>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	121.1080	0.000	1	121.0549	1.616	11	121.2648	1.301	21	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6,6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]2H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]2H)(C[6a]C[6a]H)2{1|C<4>,3|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){2|C<3>,2|H<1>,2|O<1>,2|O<2>,4|C<4>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.9460	0.457	4	121.0549	1.616	11	121.2648	1.301	21	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6,6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]2H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]2H)(C[6a]C[6a]H)2{1|C<4>,3|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){2|C<3>,2|H<1>,2|O<1>,2|O<2>,4|C<4>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	121.1010	1.160	2	121.0549	1.616	11	121.2648	1.301	21	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6,6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]2H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]2H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,3|C<4>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	121.2530	1.669	2	121.0549	1.616	11	121.2648	1.301	21	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6,6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]2H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]2H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,4|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	121.0020	3.356	2	121.0549	1.616	11	121.2648	1.301	21	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6,6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]2H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]N)(H)	C[6a](C[6]C[6,6]2H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){2|C<3>,2|H<1>,2|O<1>,2|O<2>,4|C<4>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]N)(H){1|C<4>,2|C<3>,3|H<1>}	120.4770	0.000	1	120.4770	0.000	1	121.2648	1.301	21	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6,6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]2H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]N[6a]H)(H)	C[6a](C[6]C[6,6]2H)(C[6a]C[6a]H)2{1|C<3>,1|N<2>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|N<3>,1|O<2>,3|C<3>,3|C<4>,6|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]N[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	121.4970	0.221	2	121.4970	0.049	2	121.2648	1.301	21	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H){1|C<4>,4|H<1>,7|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	118.3195	0.730	2	118.3195	0.534	2	120.7297	4.544	6	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H)	C[6a](C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H){1|C<4>,4|H<1>,7|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	122.9675	0.176	2	122.9675	0.031	2	120.7297	4.544	6	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]H)2{1|N<3>,3|H<1>,4|C<3>}	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H){2|C<4>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.9020	0.680	2	120.9020	0.463	2	120.7297	4.544	6	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]H)(C[6a]C[6a]2)(H){1|B<4>,2|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.8000	3.090	2	120.8818	4.138	6	121.0089	3.092	8	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]H)(C[6a]C[6a]2)(H){1|N<3>,1|O<2>,4|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.9228	1.925	4	120.8818	4.138	6	121.0089	3.092	8	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6]S[6]H)(C[6]C[6,6]C)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{1|S<2>,3|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]S[6]H)(C[6]C[6,6]C)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	121.3900	0.752	2	121.3900	0.566	2	121.0089	3.092	8	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6](C[6,6]C[6]3)(C[6a]C[6a]2)(C[6]C[6]S)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,1|S<4>,2|H<1>,4|C<3>}	C[6](C[6,6]C[6]3)(C[6a]C[6a]2)(C[6]C[6]S)(H){1|O<2>,2|C<4>,4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,3|C<4>}	120.9870	0.000	1	120.9870	0.000	1	120.8020	1.747	60	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]O)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]O)(H){1|C<4>,1|N<3>,2|O<2>,3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	120.8595	0.414	2	120.8595	0.171	2	120.8020	1.747	60	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){2|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]C)(H){1|O<2>,1|S<2>,2|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	119.4340	0.000	1	119.4340	0.000	1	120.8020	1.747	60	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6]C[3x6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6](C[6,6]C[3x6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H){3|C<3>,3|C<4>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H){1|C<4>,2|C<3>,3|H<1>}	120.2405	2.282	2	120.2405	5.207	2	120.8020	1.747	60	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6]C[5,6,6]C[6]H)(C[6a]C[6a]2)(C[6]N[6]O)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{1|C<3>,1|N<2>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6a]C[6a]2)(C[6]N[6]O)(H){2|C<4>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.1465	1.511	2	120.1465	2.283	2	120.8020	1.747	60	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6]C[5a,6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6]C[5a,6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	121.2275	1.494	2	121.2275	2.232	2	120.8020	1.747	60	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,3|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]C)(H){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.9740	1.943	2	120.9740	3.776	2	120.8020	1.747	60	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|B<4>,2|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.6890	2.524	4	120.8845	1.628	30	120.8020	1.747	60	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	120.9950	0.143	4	120.8845	1.628	30	120.8020	1.747	60	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	121.3585	1.218	4	120.8845	1.628	30	120.8020	1.747	60	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|N<3>,1|O<2>,4|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.9050	0.820	2	120.8845	1.628	30	120.8020	1.747	60	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H){2|C<4>,3|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	120.7747	1.500	10	120.8845	1.628	30	120.8020	1.747	60	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H){2|C<4>,3|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.6830	0.799	2	120.8845	1.628	30	120.8020	1.747	60	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H){2|O<2>,4|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.7810	0.619	2	120.8845	1.628	30	120.8020	1.747	60	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H){2|O<2>,4|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	120.9400	0.559	2	120.8845	1.628	30	120.8020	1.747	60	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]N[6]O)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]N[6]O)(H){1|C<4>,1|N<2>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	121.1700	1.631	2	120.9342	1.595	6	120.8020	1.747	60	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]N[6]O)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]N[6]O)(H){1|S<4>,2|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.6720	2.234	2	120.9342	1.595	6	120.8020	1.747	60	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]N[6]O)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]N[6]O)(H){1|S<4>,2|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	120.9605	0.275	2	120.9342	1.595	6	120.8020	1.747	60	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]O[6]O)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]O[6]O)(H){1|C<4>,1|I<1>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.4640	3.726	2	120.4640	13.886	2	120.8020	1.747	60	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6]C[6]N)(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6]C[6,6]C[6]N)(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|O<2>,3|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.6315	2.722	2	120.6315	7.407	2	120.8020	1.747	60	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6]C[6]O)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6a]C[6a]2)(C[6]C[6]H)(H){2|C<3>,3|C<4>,6|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.8705	0.534	2	120.8705	0.285	2	120.8020	1.747	60	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6]3)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,3|H<1>,4|C<3>}	C[6](C[6,6]C[6]3)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|C<4>,2|O<1>,2|O<2>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.6425	1.910	2	120.7375	1.918	4	120.8020	1.747	60	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6]3)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,3|H<1>,4|C<3>}	C[6](C[6,6]C[6]3)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|O<2>,2|C<4>,2|O<1>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.8325	1.439	2	120.7375	1.918	4	120.8020	1.747	60	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6]N[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]O)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[6,6]N[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]O)(H){2|C<4>,3|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	120.8905	1.559	2	120.8905	2.431	2	120.8020	1.747	60	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:Br-1:	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Br)	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]Br)(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|Br<1>,1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Br){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	122.2665	0.632	4	122.2665	0.400	4	122.2665	0.400	4	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl)	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|Cl<1>,1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	122.3285	0.736	2	122.3285	0.542	2	122.3285	0.542	2	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]F)(C[6a]C[6a]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(F)	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]F)(C[6a]C[6a]H){2|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|F<1>,1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(F){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	121.8810	0.000	1	121.8810	0.000	1	120.9175	0.453	4	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]F)(C[6a]C[6a]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(F)	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]F)(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|F<1>,1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(F){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.5963	0.245	3	120.5963	0.060	3	120.9175	0.453	4	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]Br)(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|Br<1>,1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	121.3718	0.586	4	121.3718	0.344	4	121.1291	3.226	150	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,3|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]C)(H){1|O<2>,3|C<3>,3|C<4>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	120.3945	0.083	2	120.3945	0.007	2	121.1291	3.226	150	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]C)(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|O<1>,3|C<3>,3|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	120.1130	0.161	2	120.1130	0.026	2	121.1291	3.226	150	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|Cl<1>,1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	121.4000	0.242	2	121.4000	0.058	2	121.1291	3.226	150	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]F)(C[6a]C[6a]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]F)(C[6a]C[6a]H){2|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|F<1>,1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|F<1>,1|N<3>,2|H<1>}	122.7310	0.000	1	122.7310	0.000	1	121.1291	3.226	150	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]F)(C[6a]C[6a]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]F)(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|F<1>,1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|F<1>,1|N<3>,2|H<1>}	123.3417	0.077	3	123.3417	0.006	3	121.1291	3.226	150	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){2|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|O<1>,1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	120.9230	0.000	1	120.9230	0.000	1	121.1291	3.226	150	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){2|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]C)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	119.5075	0.275	2	119.5075	0.076	2	121.1291	3.226	150	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	120.1582	0.073	4	121.5938	1.189	14	121.1291	3.226	150	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|C<4>,1|N<3>,1|S<1>,2|C<3>,2|O<2>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	120.5520	0.000	1	121.5938	1.189	14	121.1291	3.226	150	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|O<1>,1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	122.3476	0.354	9	121.5938	1.189	14	121.1291	3.226	150	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(N[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]N[6a]H)(H)	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)2{1|N<2>,2|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(N[6]C[6]C)(H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]N[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	121.3149	0.661	12	121.3149	0.437	12	121.1291	3.226	150	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)2{2|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|O<1>,2|C<4>,3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|F<1>,1|N<3>,2|H<1>}	121.0943	1.059	7	121.1181	0.945	9	121.1291	3.226	150	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)2{2|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|O<1>,2|C<4>,3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	121.2015	0.900	2	121.1181	0.945	9	121.1291	3.226	150	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)2{1|C<3>,3|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]C)(H){2|C<4>,3|C<3>,7|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.7865	2.487	4	121.1766	7.917	20	121.1291	3.226	150	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)2{2|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]C)(H){1|C<4>,1|S<2>,4|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	121.2376	2.793	8	121.1766	7.917	20	121.1291	3.226	150	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)2{2|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]C)(H){2|C<4>,3|C<3>,7|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	121.4638	3.593	4	121.1766	7.917	20	121.1291	3.226	150	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)2{2|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]C)(H){2|C<4>,3|C<3>,7|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	121.1577	3.539	4	121.1766	7.917	20	121.1291	3.226	150	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Br)(H)	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)2{1|Br<1>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|O<1>,2|C<4>,3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Br)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	123.6580	0.000	1	123.6580	0.000	1	121.1291	3.226	150	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Cl)(H)	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)2{1|Cl<1>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|O<1>,2|C<4>,3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Cl)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.9810	2.449	2	120.9810	6.000	2	121.1291	3.226	150	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]F)(H)	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)2{1|F<1>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|O<1>,2|C<4>,3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]F)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	121.8500	0.000	1	121.8500	0.000	1	121.1291	3.226	150	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)2{1|Br<1>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|O<1>,2|C<4>,3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	117.4780	0.000	1	120.9320	3.654	68	121.1291	3.226	150	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)2{1|Cl<1>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|O<1>,2|C<4>,3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.6320	2.284	2	120.9320	3.654	68	121.1291	3.226	150	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)2{1|F<1>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|O<1>,2|C<4>,3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	119.7280	0.000	1	120.9320	3.654	68	121.1291	3.226	150	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|O<1>,2|C<4>,3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.8460	2.077	2	120.9320	3.654	68	121.1291	3.226	150	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|C<4>,1|N<2>,1|N<3>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	120.9839	1.327	8	120.9320	3.654	68	121.1291	3.226	150	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|C<4>,1|N<3>,1|O<1>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|F<1>,1|N<3>,2|H<1>}	121.0359	2.276	8	120.9320	3.654	68	121.1291	3.226	150	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|C<4>,1|N<3>,1|O<1>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	120.8033	1.755	8	120.9320	3.654	68	121.1291	3.226	150	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|N<2>,2|C<4>,3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|F<1>,1|N<3>,2|H<1>}	120.8505	2.225	4	120.9320	3.654	68	121.1291	3.226	150	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|N<2>,2|C<4>,3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	121.3465	2.093	4	120.9320	3.654	68	121.1291	3.226	150	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|O<1>,2|C<4>,3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	121.0087	2.543	4	120.9320	3.654	68	121.1291	3.226	150	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|O<1>,2|C<4>,3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|F<1>,1|N<3>,2|H<1>}	120.8595	2.962	2	120.9320	3.654	68	121.1291	3.226	150	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|O<1>,2|C<4>,3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	121.2361	2.213	10	120.9320	3.654	68	121.1291	3.226	150	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|O<1>,2|C<4>,3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	120.9847	2.188	6	120.9320	3.654	68	121.1291	3.226	150	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|O<1>,3|H<1>,3|N<3>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	121.0245	1.993	4	120.9320	3.654	68	121.1291	3.226	150	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H){2|C<4>,4|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.9305	2.122	4	120.9320	3.654	68	121.1291	3.226	150	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H)	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|O<1>,2|C<4>,3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.7760	2.478	2	120.7760	6.139	2	121.1291	3.226	150	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6]3)(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,3|H<1>,4|C<3>}	C[6](C[6,6]C[6]3)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|N<2>,2|N<3>,3|C<3>,3|H<1>,3|O<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	121.0730	0.891	2	121.0730	0.794	2	121.1291	3.226	150	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6,6]N[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6](C[6,6]N[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]C)(H){1|C<4>,1|N<3>,2|H<1>,2|O<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|F<1>,1|N<3>,2|H<1>}	120.5650	1.854	2	120.5650	3.437	2	121.1291	3.226	150	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:N[6]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a,6a]H)(C[6a]C[6a]H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])(H)	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a,6a]H)(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){1|C<4>,1|O<2>,4|C<3>,5|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C[6])(H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	120.4050	0.337	2	120.4050	0.113	2	120.4050	0.113	2	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:N[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6,6a]C)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl)	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6,6a]C)(C[6a]C[6a]2)(H){1|Cl<1>,1|C<4>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	122.0010	0.000	1	122.0010	0.000	1	122.0010	0.000	1	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:N[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a,6a]H)(C[6a]C[6a]H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C[6])(H)	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a,6a]H)(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){1|C<4>,1|O<2>,4|C<3>,5|H<1>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C[6])(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	120.8415	0.204	2	120.8415	0.042	2	120.8395	1.260	49	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:N[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6,6a]C)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6,6a]C)(C[6a]C[6a]2)(H){1|Cl<1>,1|C<4>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	120.3100	0.000	1	120.3100	0.000	1	120.8395	1.260	49	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:N[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]N){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<2>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|N<3>}	120.5875	0.260	2	120.5875	0.067	2	120.8395	1.260	49	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:N[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6,6]C[5a,6]N[6,6]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,4|H<1>}	C[6](C[6,6]C[5a,6]N[6,6]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.5025	0.928	2	120.5025	0.862	2	120.8395	1.260	49	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:N[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){1|C<4>,4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	121.2645	0.035	2	120.9767	1.667	22	120.8395	1.260	49	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:N[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	120.6650	1.389	2	120.9767	1.667	22	120.8395	1.260	49	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:N[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){1|C<4>,1|O<2>,4|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.9874	1.554	14	120.9767	1.667	22	120.8395	1.260	49	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:N[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){1|C<4>,1|O<2>,4|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|N<3>}	120.8700	1.059	2	120.9767	1.667	22	120.8395	1.260	49	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:N[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){1|C<4>,1|O<2>,4|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	121.0325	0.424	2	120.9767	1.667	22	120.8395	1.260	49	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:N[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6,6a]S)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)2{1|S<4>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6,6a]S)(C[6a]C[6a]2)(H){1|N<3>,1|O<2>,4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|N<3>}	120.5615	0.378	2	120.5615	0.143	2	120.8395	1.260	49	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:N[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6]C[6]N)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]N)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){2|C<4>,4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	120.9965	1.108	2	120.9965	1.228	2	120.8395	1.260	49	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:N[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6a]C[6,6]H)(N[6]C[6,6a]C)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6](C[6,6]C[6,6a]C[6,6]H)(N[6]C[6,6a]C)(C[6a]C[6a]2)(H){1|C<4>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	119.1080	0.000	1	120.5758	2.146	5	120.8395	1.260	49	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:N[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6a]C[6,6]H)(N[6]C[6,6a]C)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,3|H<1>,4|C<3>}	C[6](C[6,6]C[6,6a]C[6,6]H)(N[6]C[6,6a]C)(C[6a]C[6a]2)(H){1|C<4>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	120.9428	1.402	4	120.5758	2.146	5	120.8395	1.260	49	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:N[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6a]C[6,6]H)(N[6]C[6,6a]C)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H)	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6](C[6,6]C[6,6a]C[6,6]H)(N[6]C[6,6a]C)(C[6a]C[6a]2)(H){1|C<4>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	122.5460	0.000	1	122.5460	0.000	1	120.8395	1.260	49	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:N[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6a]C[6,6]H)(N[6]C[6,6a]S)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|S<4>,3|C<3>,3|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]H)(N[6]C[6,6a]S)(C[6a]C[6a]2)(H){1|C<4>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	121.3940	0.628	2	121.3940	0.394	2	120.8395	1.260	49	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:N[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6]2O[6])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[6,6]C[6]2O[6])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.6970	0.964	2	120.6970	0.930	2	120.8395	1.260	49	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:N[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6,6]N[6,6]C[6]H)(N[6]C[6a]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)2{1|N<3>,3|H<1>,4|C<3>}	C[6](C[6,6]N[6,6]C[6]H)(N[6]C[6a]C[6])(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,2|H<1>,2|O<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|F<1>,1|N<3>,2|H<1>}	120.4660	1.501	4	120.4587	1.432	6	120.8395	1.260	49	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:N[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6,6]N[6,6]C[6]H)(N[6]C[6a]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)2{1|N<3>,3|H<1>,4|C<3>}	C[6](C[6,6]N[6,6]C[6]H)(N[6]C[6a]C[6])(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,2|H<1>,2|O<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.4440	0.632	2	120.4587	1.432	6	120.8395	1.260	49	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[5,6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[5,6]C[6a]H)(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[5,6]C[6a]H)(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H){1|O<2>,3|C<4>,4|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	121.3200	1.253	2	121.3200	1.570	2	121.1158	2.108	6	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[5,6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[5,6]C[6a]H)(C[5,6]P[5,6]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{1|P<3>,3|H<1>,4|C<3>}	C[6](C[6]C[5,6]C[6a]H)(C[5,6]P[5,6]C[5])(C[6a]C[6a]2)(H){1|C<4>,1|P<3>,2|H<1>,7|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	121.0138	1.717	4	121.0138	2.948	4	121.1158	2.108	6	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6,6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6](C[6]C[6,6]C[6a]H)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6]C[6a]H)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){2|C<4>,2|O<2>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.6140	0.000	1	120.6140	0.000	1	120.6140	0.000	1	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:Br-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(N[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Br)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]Br)(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(N[6]C[6]C)(H){1|Br<1>,1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Br){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	122.5070	0.000	1	122.5195	0.000	2	122.5195	0.000	2	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:Br-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(N[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Br)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]Br)(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(N[6]C[6]C)(H){1|Br<1>,1|C<4>,1|N<4>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Br){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	122.5320	0.000	1	122.5195	0.000	2	122.5195	0.000	2	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(N[6]C[6]N)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(N[6]C[6]N)(H){1|Cl<1>,1|C<4>,1|O<1>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.9775	0.732	2	120.9775	0.536	2	120.9775	0.536	2	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]F)2	C[6](C[6]C[6]BrH)(C[6a]C[6a]2)(N[6]C[6]S)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(F)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]F)2{1|Br<1>,1|C<4>,1|S<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6]BrH)(C[6a]C[6a]2)(N[6]C[6]S)(H){1|O<1>,1|O<2>,2|C<3>,2|F<1>,2|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(F){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|F<1>}	122.9610	4.943	4	122.9610	24.431	4	122.9610	24.431	4	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(N[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]Br)(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(N[6]C[6]C)(H){1|Br<1>,1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	120.6960	0.000	1	120.5140	0.066	2	120.6605	3.449	149	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(N[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]Br)(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(N[6]C[6]C)(H){1|Br<1>,1|C<4>,1|N<4>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	120.3320	0.000	1	120.5140	0.066	2	120.6605	3.449	149	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(N[6]C[6]N)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(N[6]C[6]N)(H){1|O<1>,2|C<4>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	120.0485	1.387	2	120.0485	1.923	2	120.6605	3.449	149	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(N[6]C[6]N)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(N[6]C[6]N)(H){1|Cl<1>,1|C<4>,1|O<1>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	121.7385	1.032	2	121.7385	1.064	2	120.6605	3.449	149	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(N[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,3|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(N[6]C[6]C)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	119.4045	0.527	2	119.4045	0.278	2	120.6605	3.449	149	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(N[6]C[6]N)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(N[6]C[6]N)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	120.9305	3.944	2	120.9305	15.551	2	120.6605	3.449	149	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]P)	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(N[6]C[6,6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]P){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(N[6]C[6,6]C)(H){1|P<4>,2|H<1>,3|C<4>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|P<4>,2|H<1>}	116.4980	0.000	1	116.4980	0.000	1	120.6605	3.449	149	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(N[6]C[6,6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(N[6]C[6,6]H)(H){2|C<3>,3|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.8915	0.243	2	120.8915	0.059	2	120.6605	3.449	149	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,5|H<1>}	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	119.8955	2.419	2	119.8955	5.852	2	120.6605	3.449	149	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(N[6]S[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|S<4>,5|H<1>}	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(N[6]S[6]H)(H){1|C<4>,1|N<3>,2|C<3>,2|O<1>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.5995	1.784	2	120.5995	3.183	2	120.6605	3.449	149	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6,6]HO)(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[6]C[6,6]HO)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.6570	0.672	2	120.6570	0.451	2	120.6605	3.449	149	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(N[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,3|H<1>,4|C<3>}	C[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(N[6]C[6]C)(H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	121.2240	1.959	2	120.8578	4.061	6	120.6605	3.449	149	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(N[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,3|H<1>,4|C<3>}	C[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(N[6]C[6]C)(H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.6005	2.536	2	120.8578	4.061	6	120.6605	3.449	149	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(N[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,3|H<1>,4|C<3>}	C[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(N[6]C[6]C)(H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	120.7490	3.100	2	120.8578	4.061	6	120.6605	3.449	149	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(N[6]C[6]S)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|S<4>,3|H<1>,4|C<3>}	C[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(N[6]C[6]S)(H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	120.7280	3.530	2	120.4530	8.917	6	120.6605	3.449	149	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(N[6]C[6]S)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|S<4>,3|H<1>,4|C<3>}	C[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(N[6]C[6]S)(H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	120.1780	4.141	2	120.4530	8.917	6	120.6605	3.449	149	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(N[6]C[6]S)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|S<4>,3|H<1>,4|C<3>}	C[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(N[6]C[6]S)(H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	120.4530	3.831	2	120.4530	8.917	6	120.6605	3.449	149	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6,6a]CO)(C[6a]C[6a]2)(N[6]C[6]S)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|O<2>,1|S<4>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6a]CO)(C[6a]C[6a]2)(N[6]C[6]S)(H){4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.8630	4.657	2	120.8630	21.688	2	120.6605	3.449	149	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(N[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,3|H<1>,4|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(N[6]C[6]C)(H){1|O<1>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.9910	2.588	6	120.9910	6.698	6	120.6605	3.449	149	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(N[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(N[6]C[6]C)(H){1|N<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.6827	2.206	4	120.6827	4.866	4	120.6605	3.449	149	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,5|H<1>}	C[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.5737	0.841	3	120.6409	1.498	11	120.6605	3.449	149	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{3|C<3>,5|H<1>}	C[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	120.7403	1.390	4	120.6409	1.498	11	120.6605	3.449	149	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{3|C<3>,5|H<1>}	C[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.5920	1.602	4	120.6409	1.498	11	120.6605	3.449	149	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(N[6]C[6]N)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|C<3>,4|H<1>}	C[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(N[6]C[6]N)(H){1|N<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.5710	2.366	2	120.5710	5.598	2	120.6605	3.449	149	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(N[6]C[6]S)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,1|S<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(N[6]C[6]S)(H){4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	119.7280	0.000	1	120.6992	2.018	5	120.6605	3.449	149	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(N[6]C[6]S)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|S<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(N[6]C[6]S)(H){4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	121.0010	2.352	2	120.6992	2.018	5	120.6605	3.449	149	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(N[6]C[6]S)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|S<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(N[6]C[6]S)(H){4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	120.8830	1.161	2	120.6992	2.018	5	120.6605	3.449	149	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(N[6]C[6]S)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,1|S<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(N[6]C[6]S)(H){4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	121.6170	0.000	1	121.6170	0.000	1	120.6605	3.449	149	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(N[6]S[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|S<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(N[6]S[6]H)(H){2|H<1>,2|O<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	122.5420	0.000	1	122.5420	0.000	1	120.6605	3.449	149	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(N[6]S[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|S<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(N[6]S[6]H)(H){2|H<1>,2|O<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	119.0660	0.000	1	119.0660	0.000	1	120.6605	3.449	149	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6,6a]HO)(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[6]C[6,6a]HO)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.8860	5.296	2	120.8860	28.050	2	120.6605	3.449	149	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6,6a]HO)(C[6a]C[6a]2)(N[6]S[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|O<1>,1|S<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6,6a]HO)(C[6a]C[6a]2)(N[6]S[6]H)(H){2|H<1>,2|O<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.1120	2.674	2	120.1120	7.152	2	120.6605	3.449	149	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6]BrH)(C[6a]C[6a]2)(N[6]C[6]S)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|Br<1>,1|C<3>,1|S<4>,2|C<4>,3|H<1>}	C[6](C[6]C[6]BrH)(C[6a]C[6a]2)(N[6]C[6]S)(H){1|C<4>,2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.4615	2.067	2	120.6710	4.576	6	120.6605	3.449	149	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6]BrH)(C[6a]C[6a]2)(N[6]C[6]S)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|Br<1>,1|C<4>,1|S<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6]BrH)(C[6a]C[6a]2)(N[6]C[6]S)(H){1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	121.0360	2.650	2	120.6710	4.576	6	120.6605	3.449	149	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6]BrH)(C[6a]C[6a]2)(N[6]C[6]S)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|Br<1>,1|C<4>,1|S<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6]BrH)(C[6a]C[6a]2)(N[6]C[6]S)(H){1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.5155	3.344	2	120.6710	4.576	6	120.6605	3.449	149	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6]ClC)(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|Cl<1>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6]ClC)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|F<1>,1|N<3>,2|H<1>}	120.8725	0.247	2	120.7328	0.095	6	120.6605	3.449	149	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6]ClC)(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|Cl<1>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6]ClC)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.4545	0.367	2	120.7328	0.095	6	120.6605	3.449	149	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6]ClC)(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|Cl<1>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6]ClC)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	120.8715	0.214	2	120.7328	0.095	6	120.6605	3.449	149	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6]MoH)(C[6a]C[6a]2)(N[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|Mo<7>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6]MoH)(C[6a]C[6a]2)(N[6]C[6]C)(H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.9340	1.584	2	120.9340	2.509	2	120.6605	3.449	149	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|C<4>,1|O<1>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	121.1815	0.199	2	121.0385	0.079	4	120.6605	3.449	149	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|C<4>,1|O<1>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	120.8955	0.339	2	121.0385	0.079	4	120.6605	3.449	149	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(N[6]C[6]N)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<2>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(N[6]C[6]N)(H){1|C<4>,1|O<1>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	121.1510	3.329	4	121.2280	7.162	8	120.6605	3.449	149	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(N[6]C[6]N)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<2>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(N[6]C[6]N)(H){1|C<4>,1|O<1>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	121.3050	2.369	4	121.2280	7.162	8	120.6605	3.449	149	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(N[6]C[6,6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(N[6]C[6,6]C)(H){3|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.9575	0.148	4	120.9575	0.022	4	120.6605	3.449	149	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(N[6]C[6,6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(N[6]C[6,6]H)(H){2|C<4>,4|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.5745	0.112	2	120.5745	0.013	2	120.6605	3.449	149	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(N[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(N[6]C[6]C)(H){1|C<4>,1|N<3>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.5645	3.153	4	120.7480	3.804	24	120.6605	3.449	149	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(N[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(N[6]C[6]C)(H){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.6128	2.164	6	120.7480	3.804	24	120.6605	3.449	149	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(N[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(N[6]C[6]C)(H){1|C<4>,4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	121.0480	1.547	2	120.7480	3.804	24	120.6605	3.449	149	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(N[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(N[6]C[6]C)(H){2|C<4>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.8485	4.784	2	120.7480	3.804	24	120.6605	3.449	149	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(N[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(N[6]C[6]C)(H){1|C<4>,4|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.4815	1.183	2	120.7480	3.804	24	120.6605	3.449	149	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(N[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(N[6]C[6]C)(H){2|C<4>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.9076	0.984	8	120.7480	3.804	24	120.6605	3.449	149	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H){2|C<4>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.9790	1.629	2	120.5155	1.014	6	120.6605	3.449	149	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,4|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|O<1>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.2837	0.768	4	120.5155	1.014	6	120.6605	3.449	149	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6a]O[6]H)(C[6a]C[6a]2)(N[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]O[6]H)(C[6a]C[6a]2)(N[6]C[6]C)(H){1|C<4>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.8185	3.078	2	120.8185	9.474	2	120.6605	3.449	149	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6]N[5,6]C[6a]H)(C[6a]C[6a]2)(N[6]C[6]S)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|S<4>,2|C<3>,3|H<1>}	C[6](C[6]N[5,6]C[6a]H)(C[6a]C[6a]2)(N[6]C[6]S)(H){4|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.3533	2.718	4	120.3533	7.388	4	120.6605	3.449	149	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6]N[5a,6]CH)(C[6a]C[6a]2)(N[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]N[5a,6]CH)(C[6a]C[6a]2)(N[6]C[6]C)(H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	119.7310	0.000	1	120.5874	2.779	5	120.6605	3.449	149	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6]N[5a,6]CH)(C[6a]C[6a]2)(N[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6](C[6]N[5a,6]CH)(C[6a]C[6a]2)(N[6]C[6]C)(H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	120.8015	1.844	4	120.5874	2.779	5	120.6605	3.449	149	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6]N[5a,6]CH)(C[6a]C[6a]2)(N[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]N[5a,6]CH)(C[6a]C[6a]2)(N[6]C[6]C)(H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	121.3510	0.000	1	121.3510	0.000	1	120.6605	3.449	149	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6]N[5a,6]HH)(C[6a]C[6a]2)(N[6]C[6]S)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,1|S<4>,4|H<1>}	C[6](C[6]N[5a,6]HH)(C[6a]C[6a]2)(N[6]C[6]S)(H){3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.4150	2.051	6	120.4150	4.208	6	120.6605	3.449	149	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]Pd)(C[6a]C[6a]H)	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(N[6]C[6,6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]Pd)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(N[6]C[6,6]C)(H){1|Pd<4>,2|H<1>,3|C<4>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Pd<4>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	117.2620	0.000	1	117.2620	0.000	1	120.6605	3.449	149	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:P[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]P[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6]FeH)(C[6a]C[6a]2)(P[6]C[6]Fe)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]P[6]H)(C[6a]C[6a]H)2{1|Fe<10>,1|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6]FeH)(C[6a]C[6a]2)(P[6]C[6]Fe)(H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|P<3>,3|H<1>}	121.0722	1.285	4	121.0722	1.651	4	121.0722	1.651	4	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:N[6,6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]N[6,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6,6a]C[6a]H)(N[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]N[6,6]C[6]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6,6a]C[6a]H)(N[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|C<4>,5|H<1>,7|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.3665	2.401	2	120.3665	5.763	2	120.3665	5.763	2	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:N[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6](C[6]C[6a]N[6]C)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]N)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){2|H<1>,2|N<3>,4|C<3>}	C[6](C[6]C[6a]N[6]C)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){1|O<2>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	125.4940	0.000	1	125.4940	0.000	1	120.7002	4.439	36	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:N[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6](C[6]C[6a]N[6]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]N[6]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){1|O<2>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	120.0173	0.278	8	120.0173	0.077	8	120.7002	4.439	36	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:N[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6](C[6]C[6a]N[6]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<3>,3|C<3>,4|H<1>}	C[6](C[6]C[6a]N[6]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){1|O<2>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	120.1595	0.661	2	120.1595	0.437	2	120.7002	4.439	36	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:N[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6](C[6]C[6a]N[6]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]N[6]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){1|O<2>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	118.2500	0.000	1	118.2500	0.000	1	120.7002	4.439	36	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:N[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6]B[5]C[6]H)(N[6]C[6,6a]C)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|B<3>,1|C<4>,3|C<3>,3|H<1>}	C[6](C[6]B[5]C[6]H)(N[6]C[6,6a]C)(C[6a]C[6a]2)(H){2|O<2>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	120.8690	1.888	2	120.8690	3.564	2	120.7002	4.439	36	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:N[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6,6a]CF)(N[6]C[6a]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|F<1>,2|H<1>,5|C<3>}	C[6](C[6]C[6,6a]CF)(N[6]C[6a]C[6])(C[6a]C[6a]2)(H){1|O<1>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	120.7770	1.906	2	120.7770	3.634	2	120.7002	4.439	36	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:N[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6a]C[6]H)(N[6]C[6,6a]C)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{3|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6]H)(N[6]C[6,6a]C)(C[6a]C[6a]2)(H){1|O<1>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.6880	1.409	2	120.6880	1.984	2	120.7002	4.439	36	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:N[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6a]C[6]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){3|H<1>,7|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|N<3>}	120.3170	0.287	2	120.3170	0.082	2	120.7002	4.439	36	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:N[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6a]N[6]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,4|H<1>}	C[6](C[6]C[6a]N[6]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){1|N<2>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.9825	1.477	2	120.9825	2.182	2	120.7002	4.439	36	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:N[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6a]O[6]C)(N[6]C[6a]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]O[6]C)(N[6]C[6a]C[6])(C[6a]C[6a]2)(H){1|C<4>,4|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	121.1730	3.462	4	121.2115	12.876	8	120.7002	4.439	36	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:N[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6a]O[6]C)(N[6]C[6a]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]O[6]C)(N[6]C[6a]C[6])(C[6a]C[6a]2)(H){2|C<4>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	121.2500	4.249	4	121.2115	12.876	8	120.7002	4.439	36	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:N[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6a]O[6]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|O<2>,3|C<3>,4|H<1>}	C[6](C[6]C[6a]O[6]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.5980	1.301	2	120.5980	1.693	2	120.7002	4.439	36	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:N[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6]N[5a,6]CH)(N[6]C[6a]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|N<3>,3|H<1>,4|C<3>}	C[6](C[6]N[5a,6]CH)(N[6]C[6a]C[6])(C[6a]C[6a]2)(H){1|O<1>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	120.8290	2.669	2	120.7133	5.062	4	120.7002	4.439	36	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:N[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6]N[5a,6]CH)(N[6]C[6a]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|N<3>,3|H<1>,4|C<3>}	C[6](C[6]N[5a,6]CH)(N[6]C[6a]C[6])(C[6a]C[6a]2)(H){1|O<1>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.5975	2.831	2	120.7133	5.062	4	120.7002	4.439	36	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	P[6]-4:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]N[6]P[6]H)(C[6a]C[6a]H)2	C[6](P[6]C[6a]O[6]O)(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]N[6]P[6]H)(C[6a]C[6a]H)2{1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[6](P[6]C[6a]O[6]O)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|C<4>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,1|P<4>,3|H<1>}	120.7970	2.338	2	120.7970	5.465	2	120.7970	5.465	2	120.9536	2.773	774	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:2:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,5,6,6]-4:C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6]C[5,5,6,6]C[6,6a]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]C[5])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC[6])	C[6a](C[6]C[5,5,6,6]C[6,6a]H)(C[6a]C[6a]H)(C[6a]C[6a]O){2|C<4>,2|H<1>,4|C<3>}	C[6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]C[5])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H){1|O<1>,2|O<2>,3|C<4>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC[6]){1|C<4>,2|C<3>,3|H<1>}	122.6250	0.000	1	122.6250	0.000	1	122.6250	0.000	1	120.6338	2.320	46	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:2:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,3|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]H)(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>,3|O<2>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|C<4>,2|C<3>,3|H<1>}	118.1070	0.000	1	118.1070	0.000	1	118.1070	0.000	1	120.6338	2.320	46	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:2:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:N-2:	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6](C[5,6]C[5,6a]O[5,6]H)(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NC)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,2|H<1>,2|O<2>,3|C<3>}	C[6](C[5,6]C[5,6a]O[5,6]H)(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|N<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NC){1|C<4>,2|C<3>,3|H<1>}	117.6630	0.000	1	117.6630	0.000	1	117.6630	0.000	1	120.6338	2.320	46	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:2:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(C[6]O[6]O)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(C[6]O[6]O)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|C<4>,2|C<3>,3|H<1>}	119.3970	0.000	1	119.3970	0.000	1	119.6720	0.151	2	120.6338	2.320	46	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:2:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,2|H<1>,5|C<3>}	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,2|H<1>,2|O<1>,2|O<2>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH){1|C<4>,2|C<3>,3|H<1>}	119.9470	0.000	1	119.9470	0.000	1	119.6720	0.151	2	120.6338	2.320	46	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6,6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6]C[6,6]2H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6]C[6,6]2H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,3|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|H<1>,2|C<3>,2|O<1>,3|O<2>,4|C<4>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|C<4>,2|C<3>,3|H<1>}	118.8935	0.291	2	118.8935	0.084	2	118.8935	0.084	2	120.6338	2.320	46	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){2|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]C)(H){1|O<2>,1|S<2>,2|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|C<4>,2|C<3>,3|H<1>}	122.3790	0.000	1	122.3790	0.000	1	122.3790	0.000	1	120.6338	2.320	46	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){2|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|O<1>,1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	121.5400	0.000	1	121.5400	0.000	1	120.5229	1.491	17	120.6338	2.320	46	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){2|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]C)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	122.0435	0.050	2	122.0435	0.003	2	120.5229	1.491	17	120.6338	2.320	46	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	121.6688	0.235	4	120.2330	1.309	14	120.5229	1.491	17	120.6338	2.320	46	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|C<4>,1|N<3>,1|S<1>,2|C<3>,2|O<2>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	121.2990	0.000	1	120.2330	1.309	14	120.5229	1.491	17	120.6338	2.320	46	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|O<1>,1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	119.4764	0.538	9	120.2330	1.309	14	120.5229	1.491	17	120.6338	2.320	46	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6,6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6](C[6]C[6,6]C[6a]H)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(OC)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6]C[6a]H)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){2|C<4>,2|O<2>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(OC){1|C<4>,2|C<3>,3|H<1>}	120.7510	0.000	1	120.7510	0.000	1	120.7510	0.000	1	120.6338	2.320	46	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(N[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,3|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(N[6]C[6]C)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	122.3420	0.707	2	122.3420	0.500	2	121.2860	7.998	4	120.6338	2.320	46	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(N[6]C[6]N)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(N[6]C[6]N)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.2300	4.363	2	120.2300	19.034	2	121.2860	7.998	4	120.6338	2.320	46	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:N[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6](C[6]C[6a]N[6]C)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){2|H<1>,2|N<3>,4|C<3>}	C[6](C[6]C[6a]N[6]C)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){1|O<2>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	116.9650	0.000	1	116.9650	0.000	1	121.0291	1.450	16	120.6338	2.320	46	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:N[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6](C[6]C[6a]N[6]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(OH)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]N[6]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){1|O<2>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(OH){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	121.3560	0.000	1	121.3560	0.000	1	121.0291	1.450	16	120.6338	2.320	46	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:N[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6](C[6]C[6a]N[6]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]N[6]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){1|O<2>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	121.2488	0.327	8	121.3562	0.233	10	121.0291	1.450	16	120.6338	2.320	46	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:N[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6](C[6]C[6a]N[6]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<3>,3|C<3>,4|H<1>}	C[6](C[6]C[6a]N[6]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){1|O<2>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	121.7860	0.940	2	121.3562	0.233	10	121.0291	1.450	16	120.6338	2.320	46	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:N[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]O)2	C[6](C[6]C[6a]N[6]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]O)2{1|N<3>,3|C<3>,4|H<1>}	C[6](C[6]C[6a]N[6]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){1|H<1>,2|O<2>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	120.9565	0.780	2	120.9565	0.608	2	121.0291	1.450	16	120.6338	2.320	46	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:N[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]O)2	C[6](C[6]C[6a]N[6]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]O)2{1|N<3>,3|C<3>,4|H<1>}	C[6](C[6]C[6a]N[6]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){1|H<1>,2|O<2>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	121.3345	1.077	2	121.3345	1.160	2	121.0291	1.450	16	120.6338	2.320	46	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:3:	C[6]-4:C[6a]-3:C[6a]-3:	C[4,6]-4:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6]C[4,6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6](C[4,6]C[4,6a]C[4,6]H)(C[6a]C[6a]2)(N[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NCS)	C[6a](C[6]C[4,6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,3|H<1>,4|C<3>}	C[6](C[4,6]C[4,6a]C[4,6]H)(C[6a]C[6a]2)(N[6]C[6]C)(H){1|N<3>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NCS){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	118.4060	0.000	1	118.4060	0.000	1	118.4060	0.000	1	123.7256	4.577	9	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:3:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NOO)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,3|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NOO){1|C<4>,2|C<3>,3|H<1>}	123.6320	0.106	2	123.6320	0.011	2	123.6320	0.011	2	123.7256	4.577	9	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:3:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:N[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6]C[5,6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NOO)	C[6a](C[6]C[5,6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]N){2|C<3>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<2>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NOO){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	125.6395	0.165	2	125.6395	0.027	2	125.6395	0.027	2	123.7256	4.577	9	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]O)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NOO)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]O)(H){1|C<4>,1|N<3>,2|O<2>,3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NOO){1|C<4>,2|C<3>,3|H<1>}	124.2045	0.445	2	124.2045	0.198	2	124.2045	0.198	2	123.7256	4.577	9	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:N[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NOO)	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]N){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<2>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NOO){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	124.0860	0.150	2	124.0860	0.022	2	124.0860	0.022	2	123.7256	4.577	9	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6](C[6,6]C[6]3)(C[6a]C[6a]2)(C[6]C[6]S)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,1|S<4>,2|H<1>,4|C<3>}	C[6](C[6,6]C[6]3)(C[6a]C[6a]2)(C[6]C[6]S)(H){1|O<2>,2|C<4>,4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3){2|C<3>,2|C<4>,2|H<1>}	120.3590	0.000	1	120.3590	0.000	1	120.3590	0.000	1	121.0771	0.918	8	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3)	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,3|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]C)(H){1|O<2>,3|C<3>,3|C<4>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.9820	0.151	2	120.9820	0.023	2	120.9205	0.016	4	121.0771	0.918	8	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3)	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]C)(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|O<1>,3|C<3>,3|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.8590	0.096	2	120.8590	0.009	2	120.9205	0.016	4	121.0771	0.918	8	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(N[6]C[6]N)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(N[6]C[6]N)(H){1|O<1>,2|C<4>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CH3){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.6710	0.885	2	120.6710	0.784	2	120.6710	0.784	2	121.0771	0.918	8	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:1:	3:3:4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:P-4:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]P)	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(N[6]C[6,6]C)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(PC[6a]2Pd)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]P){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(N[6]C[6,6]C)(H){1|P<4>,2|H<1>,3|C<4>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(PC[6a]2Pd){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	123.2340	0.000	1	123.2340	0.000	1	123.2340	0.000	1	121.0771	0.918	8	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:2:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[3,6,6]-4:C[6a]-3:C[6a]-3:O[6]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[3,6,6]C[6a]O[6])(C[6a]C[6a]H)2	C[6](C[3,6,6]C[3,6]2O[6])(C[6a]C[6a]2)2(O[6]C[6])	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[3,6,6]C[6a]O[6])(C[6a]C[6a]H)2{1|O<2>,2|C<4>,2|H<1>,4|C<3>}	C[6](C[3,6,6]C[3,6]2O[6])(C[6a]C[6a]2)2(O[6]C[6]){2|C<4>,6|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.6482	2.919	4	120.6482	8.519	4	120.6482	8.519	4	120.6777	4.771	14	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:2:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[6]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]C[6]O)(C[6a]C[6a]H)2	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]H)(OH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]C[6]O)(C[6a]C[6a]H)2{1|C<4>,3|H<1>,4|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]H)(OH){1|C<4>,1|N<3>,1|O<1>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,1|H<1>,1|O<2>,2|C<3>}	120.8540	0.362	2	120.8540	0.131	2	120.8540	0.131	2	120.6777	4.771	14	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:2:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[6a]-3:O[6]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]C[6a]O[6])(C[6a]C[6a]H)2	C[6](C[5,6]C[5,6]C[5]Ru)(C[6a]C[6a]2)2(O[6]C[6])	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]C[6a]O[6])(C[6a]C[6a]H)2{1|Ru<10>,2|H<1>,3|C<3>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]Ru)(C[6a]C[6a]2)2(O[6]C[6]){1|O<2>,3|C<4>,5|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.5215	1.936	4	120.5215	3.746	4	120.5215	3.746	4	120.6777	4.771	14	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:2:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:O[6]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6a]C[6]O[6])(C[6a]C[6a]H)2	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)2(O[6]B[6])	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6a]C[6]O[6])(C[6a]C[6a]H)2{1|B<4>,4|C<3>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)2(O[6]B[6]){1|N<3>,2|C<4>,4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.7752	2.881	4	120.7752	8.299	4	120.7752	8.299	4	120.6777	4.771	14	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:3:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]C[6a]C[6])(C[6a]C[6a]H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)2(C[6]C[6]O)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]C[6a]C[6])(C[6a]C[6a]H)2{1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)2(C[6]C[6]O){1|N<3>,1|O<2>,2|C<4>,5|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	120.7862	4.374	4	120.7862	19.135	4	120.7862	19.135	4	120.8823	5.792	12	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:3:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:B[5a]-3:C[6a]-3:P[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]B[5a]C[6]P[6])(C[6a]C[6a]H)2	C[6](C[6]C[6]FeH)(B[5a]O[5a]2)(C[6a]C[6a]2)(P[6]C[6]Fe)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]B[5a]C[6]P[6])(C[6a]C[6a]H)2{1|Fe<10>,1|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[6](C[6]C[6]FeH)(B[5a]O[5a]2)(C[6a]C[6a]2)(P[6]C[6]Fe){1|C<4>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,1|C<4>,1|P<3>,2|H<1>}	120.8040	1.345	2	120.8040	1.809	2	120.8040	1.809	2	120.8823	5.792	12	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:3:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6a]C[6]2)(C[6a]C[6a]H)2	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]N[6])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6a]C[6]2)(C[6a]C[6a]H)2{1|N<2>,3|H<1>,6|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]N[6])(C[6a]C[6a]2)2{10|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	121.3615	0.927	4	121.3615	0.859	4	121.3615	0.859	4	120.8823	5.792	12	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:3:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:N[6]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]C)(C[6a]C[6a]H)2	C[6](C[6]C[6a]N[6]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(COO)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]C)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,4|H<1>}	C[6](C[6]C[6a]N[6]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(COO){3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	120.1945	0.111	2	120.1945	0.012	2	120.1945	0.012	2	120.8823	5.792	12	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:4:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[6]-3:C-4:	C[5,6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]C[6]C)(C[6a]C[5,6a]H)(C[6a]C[6a]H)	C[6](C[5,6]C[5,6]O[5]H)(C[6a]C[6a]2)(C[6]C[6]O)(CCHH)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[6])(H)	C[6a](C[6]C[5,6]C[6]C)(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>,2|O<2>}	C[6](C[5,6]C[5,6]O[5]H)(C[6a]C[6a]2)(C[6]C[6]O)(CCHH){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[6])(H){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	119.0170	0.000	1	119.0170	0.000	1	119.0170	0.000	1	120.5052	5.014	22	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:4:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[6]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]C[6]C)(C[6a]C[5,6a]H)(C[6a]C[6a]H)	C[6](C[5,6]C[5,6]O[5]H)(C[6a]C[6a]2)(C[6]C[6]O)(CCHH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[5,6a]H)(H)	C[6a](C[6]C[5,6]C[6]C)(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>,2|O<2>}	C[6](C[5,6]C[5,6]O[5]H)(C[6a]C[6a]2)(C[6]C[6]O)(CCHH){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[5,6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	122.8080	0.000	1	122.8080	0.000	1	118.5034	6.349	5	120.5052	5.014	22	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:4:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[6]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]C[6]C)(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(C[6]O[6]O)(CCHH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]C[6]C)(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(C[6]O[6]O)(CCHH){1|C<4>,1|O<1>,2|N<3>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|N<3>,2|C<3>,2|C<4>}	116.5240	0.000	1	117.4273	0.745	4	118.5034	6.349	5	120.5052	5.014	22	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:4:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[6]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]C[6]C)(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(C[6]O[6]O)(CCHH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]C[6]C)(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(C[6]O[6]O)(CCHH){1|C<4>,1|O<1>,2|N<3>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	117.7283	0.757	3	117.4273	0.745	4	118.5034	6.349	5	120.5052	5.014	22	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:4:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6a]-3:C[6]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]C[6]C)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6a]C[6a]2)(C[6]O[6]O)(CCHH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]C[6]C)(C[6a]C[6a]H)2{1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6a]C[6a]2)(C[6]O[6]O)(CCHH){2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,2|C<3>,2|C<4>}	120.9575	1.155	2	120.9575	1.333	2	120.9223	8.594	4	120.5052	5.014	22	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:4:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6a]-3:C[6]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]C[6]C)(C[6a]C[6a]H)2	C[6](C[6,6]N[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]C)(CF3)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]C[6]C)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6](C[6,6]N[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]C)(CF3){1|F<1>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	120.8870	4.944	2	120.8870	24.444	2	120.9223	8.594	4	120.5052	5.014	22	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:4:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]C[6a]C[6])(C[6a]C[6a]H)2	C[6](C[6,6]N[6,6]N[6]H)(C[6a]C[6a]2)2(C[6]N[6]HH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]C[6a]C[6])(C[6a]C[6a]H)2{3|C<3>,3|N<3>,5|H<1>}	C[6](C[6,6]N[6,6]N[6]H)(C[6a]C[6a]2)2(C[6]N[6]HH){2|C<4>,4|H<1>,7|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	121.2675	0.641	4	121.2675	0.411	4	121.2675	0.411	4	120.5052	5.014	22	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:4:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6a]C[6]2)(C[6a]C[6a]H)2	C[6](C[6]N[5,6]HH)(C[6a]C[6a]2)2(C[6]C[6]HH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6a]C[6]2)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,6|H<1>}	C[6](C[6]N[5,6]HH)(C[6a]C[6a]2)2(C[6]C[6]HH){1|C<4>,1|S<4>,4|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	121.1863	2.573	4	121.3526	3.124	8	121.3526	3.124	8	120.5052	5.014	22	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:4:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6a]C[6]2)(C[6a]C[6a]H)2	C[6](C[6]N[5,6]HH)(C[6a]C[6a]2)2(C[6]C[6]HH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6a]C[6]2)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,6|H<1>}	C[6](C[6]N[5,6]HH)(C[6a]C[6a]2)2(C[6]C[6]HH){1|C<4>,5|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	121.5190	0.771	4	121.3526	3.124	8	121.3526	3.124	8	120.5052	5.014	22	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:4:	3:3:3:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[6]-3:C-4:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6]C[5,6]C[6]C)(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(C[6]O[6]O)(CCHH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NOO)	C[6a](C[6]C[5,6]C[6]C)(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(C[6]O[6]O)(CCHH){1|C<4>,1|O<1>,2|N<3>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NOO){1|Br<1>,1|H<1>,2|C<3>,2|C<4>}	129.2480	0.000	1	128.0520	1.253	4	128.0520	1.253	4	128.0520	1.253	4	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:3:4:	3:3:3:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[6]-3:C-4:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6]C[5,6]C[6]C)(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(C[6]O[6]O)(CCHH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NOO)	C[6a](C[6]C[5,6]C[6]C)(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(C[6]O[6]O)(CCHH){1|C<4>,1|O<1>,2|N<3>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NOO){2|C<3>,2|C<4>,2|H<1>}	127.6533	0.962	3	128.0520	1.253	4	128.0520	1.253	4	128.0520	1.253	4	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[3,6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[3,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[3,6]C[3,6]O[3]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[3,6]C[6]H)(C[6a]C[6a]H)2{1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[3,6]C[3,6]O[3]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.5845	1.150	2	120.5845	1.324	2	120.5845	1.324	2	121.0502	3.294	308	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[4,6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[4,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[4,6]C[4,5,6]C[4,6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[4,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,5|H<1>}	C[6](C[4,6]C[4,5,6]C[4,6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<3>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	121.6200	1.939	2	121.6200	3.759	2	121.3875	2.426	4	121.0502	3.294	308	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[4,6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[4,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[4,6]N[4,6]C[4]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[4,6]C[6]H)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C[6](C[4,6]N[4,6]C[4]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){2|O<2>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.1550	1.817	2	121.1550	3.302	2	121.3875	2.426	4	121.0502	3.294	308	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,5,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[5,5,6]C[5,6a]C[5,5]C[5,6])(C[6a]C[6a]2)(C[6]N[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,5,6]C[6]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[5,5,6]C[5,6a]C[5,5]C[5,6])(C[6a]C[6a]2)(C[6]N[6]HH)(H){1|C<4>,1|N<3>,1|S<4>,4|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.9045	2.721	4	120.9045	7.405	4	120.9045	7.405	4	121.0502	3.294	308	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|Cl<1>,1|C<4>,1|N<3>,2|H<1>,2|O<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl){1|C<3>,2|C<4>,3|H<1>}	122.2280	0.554	2	122.2280	0.307	2	121.9030	0.471	3	121.0502	3.294	308	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|Cl<1>,1|N<2>,1|N<3>,2|C<4>,2|H<1>,2|O<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl){1|C<3>,2|C<4>,3|H<1>}	121.2530	0.000	1	121.2530	0.000	1	121.9030	0.471	3	121.0502	3.294	308	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,3|C<3>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<2>,1|C<4>,1|N<3>,2|H<1>,2|O<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<2>,1|C<3>,1|H<1>,2|C<4>}	122.7410	0.000	1	122.7410	0.000	1	121.1331	3.575	159	121.0502	3.294	308	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|Cl<1>,1|C<4>,1|N<3>,2|H<1>,2|O<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	121.8580	0.327	2	121.8580	0.107	2	121.1331	3.575	159	121.0502	3.294	308	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|Cl<1>,1|N<2>,1|N<3>,2|C<4>,2|H<1>,2|O<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	123.2410	0.000	1	123.2410	0.000	1	121.1331	3.575	159	121.0502	3.294	308	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6](C[5,6]C[5,6]C[5]C)(C[6a]C[6a]2)(C[6]C[6]HN)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]N){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|N<3>,1|O<1>,1|O<2>,2|H<1>,3|C<3>,3|C<4>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	122.3257	0.085	3	122.3257	0.007	3	121.1331	3.575	159	121.0502	3.294	308	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[5,6]C[5,5]C[5,6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,5]C[5,6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	121.1010	1.307	2	121.1010	1.708	2	121.1331	3.575	159	121.0502	3.294	308	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{3|C<3>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|O<1>,1|O<2>,4|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.0830	4.063	2	121.0830	16.508	2	121.1331	3.575	159	121.0502	3.294	308	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Cl)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{1|Cl<1>,1|C<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,3|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Cl)(H){1|C<3>,2|C<4>,3|H<1>}	121.5040	0.000	1	121.5040	0.000	1	121.1331	3.575	159	121.0502	3.294	308	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{1|Cl<1>,1|C<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,3|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	119.8430	0.000	1	119.8430	0.000	1	121.1331	3.575	159	121.0502	3.294	308	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6a]C[6a]2)(C[6]C[6]HN)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|O<1>,1|O<2>,3|C<3>,3|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.8755	3.997	6	120.8755	15.980	6	121.1331	3.575	159	121.0502	3.294	308	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{1|C<3>,4|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H){2|O<2>,4|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.0785	0.029	2	121.1205	2.400	4	121.1331	3.575	159	121.0502	3.294	308	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,4|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|O<2>,4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.1625	2.682	2	121.1205	2.400	4	121.1331	3.575	159	121.0502	3.294	308	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{1|C<3>,3|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,2|O<2>,3|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	121.3440	2.872	2	121.3152	8.975	4	121.1331	3.575	159	121.0502	3.294	308	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.2865	4.321	2	121.3152	8.975	4	121.1331	3.575	159	121.0502	3.294	308	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]HO)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]HO)(H){1|C<4>,1|N<3>,3|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.7890	1.148	2	120.7890	1.319	2	121.1331	3.575	159	121.0502	3.294	308	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[5,6]C[5,6]N[5]C)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<2>,3|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]N[5]C)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<1>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	120.9005	1.538	2	120.9005	2.365	2	121.1331	3.575	159	121.0502	3.294	308	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[5,6]C[5,6]N[5]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<1>,3|C<3>,3|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.6875	0.196	2	120.6875	0.038	2	121.1331	3.575	159	121.0502	3.294	308	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[5,6]C[5,6]O[5]C)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]O[5]C)(C[6a]C[6a]2)(C[6]C[6]HH)(H){3|C<3>,3|H<1>,4|C<4>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	121.6010	0.242	2	121.6010	0.058	2	121.1331	3.575	159	121.0502	3.294	308	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[5,6]C[5,6]S[5]C)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{1|S<2>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]S[5]C)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.8345	1.459	2	120.8345	2.128	2	121.1331	3.575	159	121.0502	3.294	308	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[5,6]C[5,6a]C[5,6]N)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[6](C[5,6]C[5,6a]C[5,6]N)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<3>,1|O<2>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.6732	3.736	4	120.6732	13.958	4	121.1331	3.575	159	121.0502	3.294	308	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,3|H<1>,5|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|N<3>,1|O<2>,2|H<1>,2|O<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.7170	1.681	2	121.7170	2.827	2	121.1331	3.575	159	121.0502	3.294	308	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,4|C<3>,4|H<1>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<2>,1|N<3>,1|O<2>,2|O<1>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.7300	1.411	2	121.0333	2.568	18	121.1331	3.575	159	121.0502	3.294	308	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,4|C<3>,4|H<1>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,2|O<1>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.7810	1.271	2	121.0333	2.568	18	121.1331	3.575	159	121.0502	3.294	308	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,4|C<3>,4|H<1>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,2|O<1>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	120.9360	3.478	2	121.0333	2.568	18	121.1331	3.575	159	121.0502	3.294	308	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,4|C<3>,4|H<1>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,1|O<2>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.2600	2.042	2	121.0333	2.568	18	121.1331	3.575	159	121.0502	3.294	308	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,4|C<3>,4|H<1>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,4|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	121.0431	1.735	8	121.0333	2.568	18	121.1331	3.575	159	121.0502	3.294	308	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{4|H<1>,5|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,2|H<1>,2|O<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	121.4205	1.408	2	121.0333	2.568	18	121.1331	3.575	159	121.0502	3.294	308	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[5,6]C[5,6a]C[5]S[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,1|S<2>,3|C<3>,4|H<1>}	C[6](C[5,6]C[5,6a]C[5]S[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.2313	1.081	4	121.2313	1.169	4	121.1331	3.575	159	121.0502	3.294	308	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[5,6]C[5,6a]C[5a,6]C[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,4|C<3>,4|H<1>}	C[6](C[5,6]C[5,6a]C[5a,6]C[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<1>,2|N<3>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	121.4645	2.299	2	121.4980	2.188	4	121.1331	3.575	159	121.0502	3.294	308	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[5,6]C[5,6a]C[5a,6]C[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,4|C<3>,4|H<1>}	C[6](C[5,6]C[5,6a]C[5a,6]C[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<1>,2|N<3>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	121.5315	1.129	2	121.4980	2.188	4	121.1331	3.575	159	121.0502	3.294	308	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{4|H<1>,5|C<3>}	C[6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<3>,2|H<1>,2|O<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.1803	1.594	8	121.2630	2.724	10	121.1331	3.575	159	121.0502	3.294	308	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{4|H<1>,5|C<3>}	C[6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H){2|H<1>,2|O<1>,7|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.5940	2.543	2	121.2630	2.724	10	121.1331	3.575	159	121.0502	3.294	308	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[5,6]C[5,6a]N[5a,6]C[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[6](C[5,6]C[5,6a]N[5a,6]C[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,2|N<3>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.0580	1.669	4	121.0580	2.785	4	121.1331	3.575	159	121.0502	3.294	308	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[5,6]C[5,6a]Si[5,6]B)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{1|Si<4>,1|B<3>,1|C<4>,2|C<3>,4|H<1>}	C[6](C[5,6]C[5,6a]Si[5,6]B)(C[6a]C[6a]2)(C[6]C[6]HH)(H){2|C<4>,4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.1820	1.867	2	121.1820	3.485	2	121.1331	3.575	159	121.0502	3.294	308	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,3|H<1>,5|C<3>}	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(H){2|H<1>,3|O<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	120.6605	2.252	2	121.1205	3.724	4	121.1331	3.575	159	121.0502	3.294	308	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{2|C<4>,3|H<1>,4|C<3>}	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|C<4>,3|H<1>,3|O<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	121.5805	2.292	2	121.1205	3.724	4	121.1331	3.575	159	121.0502	3.294	308	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Br)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{1|Br<1>,1|C<4>,3|H<1>,4|C<3>}	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|N<2>,1|N<3>,1|O<1>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Br)(H){1|C<3>,2|C<4>,3|H<1>}	119.2927	0.516	4	119.2927	0.267	4	121.1331	3.575	159	121.0502	3.294	308	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{1|Br<1>,1|C<4>,3|H<1>,4|C<3>}	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|N<2>,1|N<3>,1|O<1>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	122.4200	0.777	4	121.3538	2.682	24	121.1331	3.575	159	121.0502	3.294	308	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,4|C<3>,4|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|N<2>,1|N<3>,1|O<1>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.9108	1.579	4	121.3538	2.682	24	121.1331	3.575	159	121.0502	3.294	308	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,4|C<3>,4|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|N<2>,1|N<3>,1|O<1>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	120.8215	2.256	2	121.3538	2.682	24	121.1331	3.575	159	121.0502	3.294	308	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,4|C<3>,4|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,3|H<1>,3|O<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	121.9145	1.343	2	121.3538	2.682	24	121.1331	3.575	159	121.0502	3.294	308	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,4|C<3>,4|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<2>,1|N<3>,2|C<4>,2|O<1>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	121.2280	2.758	2	121.3538	2.682	24	121.1331	3.575	159	121.0502	3.294	308	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,4|C<3>,4|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<2>,2|N<3>,2|O<1>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.3230	4.047	2	121.3538	2.682	24	121.1331	3.575	159	121.0502	3.294	308	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,4|C<3>,4|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<2>,2|O<1>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.2015	1.098	2	121.3538	2.682	24	121.1331	3.575	159	121.0502	3.294	308	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,4|C<3>,4|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){2|O<1>,4|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	121.1285	1.497	2	121.3538	2.682	24	121.1331	3.575	159	121.0502	3.294	308	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,4|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,2|O<1>,4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.2265	2.743	2	121.3538	2.682	24	121.1331	3.575	159	121.0502	3.294	308	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{4|H<1>,5|C<3>}	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){2|H<1>,3|O<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	120.7405	1.747	2	121.3538	2.682	24	121.1331	3.575	159	121.0502	3.294	308	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]HN)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,2|N<3>,4|C<3>}	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|N<2>,1|N<3>,2|C<4>,2|O<1>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.7865	1.534	2	121.1948	5.326	12	121.1331	3.575	159	121.0502	3.294	308	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]HN)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{1|N<3>,2|C<4>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|C<4>,1|O<2>,2|O<1>,4|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	121.7232	3.408	4	121.1948	5.326	12	121.1331	3.575	159	121.0502	3.294	308	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]HN)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{1|N<3>,2|C<4>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|C<4>,2|N<3>,2|O<1>,3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.4530	2.086	2	121.1948	5.326	12	121.1331	3.575	159	121.0502	3.294	308	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]HN)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{1|N<3>,2|C<4>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|N<2>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.2415	2.198	4	121.1948	5.326	12	121.1331	3.575	159	121.0502	3.294	308	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]HN)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]N)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,2|N<3>,4|C<3>}	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|N<2>,1|N<3>,2|C<4>,2|O<1>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]N)(H){1|C<3>,2|C<4>,3|H<1>}	119.5365	3.070	2	119.5365	9.422	2	121.1331	3.575	159	121.0502	3.294	308	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[5,6]C[5]C[6]N[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{1|N<2>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,1|O<2>,4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.1022	1.591	4	121.1022	2.530	4	121.1331	3.575	159	121.0502	3.294	308	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[5,6]C[5]C[6]S[5])(C[6a]C[6a]2)(C[6]C[6]CC)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,1|S<2>,2|C<2>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5]C[6]S[5])(C[6a]C[6a]2)(C[6]C[6]CC)(H){1|O<1>,2|N<3>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	121.0160	2.781	4	121.0160	7.736	4	121.1331	3.575	159	121.0502	3.294	308	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[5,6]C[5]C[6]S[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,1|S<2>,3|C<3>,4|H<1>}	C[6](C[5,6]C[5]C[6]S[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,1|O<1>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	120.9665	2.037	2	121.0425	3.945	10	121.1331	3.575	159	121.0502	3.294	308	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[5,6]C[5]C[6]S[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,1|S<2>,3|C<3>,4|H<1>}	C[6](C[5,6]C[5]C[6]S[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,2|O<1>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	120.9420	2.367	2	121.0425	3.945	10	121.1331	3.575	159	121.0502	3.294	308	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[5,6]C[5]C[6]S[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,1|S<2>,3|C<3>,4|H<1>}	C[6](C[5,6]C[5]C[6]S[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,2|O<1>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	120.9905	1.689	2	121.0425	3.945	10	121.1331	3.575	159	121.0502	3.294	308	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[5,6]C[5]C[6]S[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,1|S<4>,3|C<3>,4|H<1>}	C[6](C[5,6]C[5]C[6]S[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H){2|C<4>,3|O<1>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	121.1568	2.757	4	121.0425	3.945	10	121.1331	3.575	159	121.0502	3.294	308	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[5,6]N[5,6]C[5]C)(C[6a]C[6a]2)(C[6]C[6]HN)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,2|N<3>,3|C<3>,3|H<1>}	C[6](C[5,6]N[5,6]C[5]C)(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.9275	3.929	2	120.9275	15.440	2	121.1331	3.575	159	121.0502	3.294	308	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[5,6]N[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,2|C<3>,3|O<2>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.9465	0.251	2	120.9465	0.063	2	121.1331	3.575	159	121.0502	3.294	308	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[5,6]N[5,6]O[5]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,1|O<2>,5|H<1>}	C[6](C[5,6]N[5,6]O[5]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.2755	2.478	2	121.2755	6.143	2	121.1331	3.575	159	121.0502	3.294	308	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[5,6]S[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,1|S<4>,2|C<3>,5|H<1>}	C[6](C[5,6]S[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<2>,2|C<4>,2|H<1>,2|O<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	121.3822	2.785	4	121.3822	7.755	4	121.1331	3.575	159	121.0502	3.294	308	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:Br-1:	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]CC)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Br)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]Br)(C[6a]C[6a]H){1|C<4>,2|C<2>,3|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]CC)(H){1|Br<1>,1|N<3>,1|S<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Br){1|C<3>,2|C<4>,3|H<1>}	123.6330	0.000	1	123.6330	0.000	1	123.6330	0.000	1	121.0502	3.294	308	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:Cl-1:	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<4>,3|C<3>,5|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|Cl<1>,1|C<4>,1|O<2>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Cl){1|C<3>,2|C<4>,3|H<1>}	122.8810	0.000	1	122.8810	0.000	1	122.8810	0.000	1	121.0502	3.294	308	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]CC)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]Br)(C[6a]C[6a]H){1|C<4>,2|C<2>,3|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]CC)(H){1|Br<1>,1|N<3>,1|S<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	119.8160	0.000	1	119.8160	0.000	1	121.0531	3.407	95	121.0502	3.294	308	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<4>,3|C<3>,5|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|Cl<1>,1|C<4>,1|O<2>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	121.0270	0.000	1	121.0270	0.000	1	121.0531	3.407	95	121.0502	3.294	308	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,3|C<3>,5|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,2|H<1>,2|O<2>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	119.4260	0.000	1	119.4260	0.000	1	121.0531	3.407	95	121.0502	3.294	308	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){2|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<1>,2|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	123.5290	0.000	1	123.5290	0.000	1	121.0531	3.407	95	121.0502	3.294	308	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HP)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|P<4>,3|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HP)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	124.6390	0.000	1	124.6390	0.000	1	121.0531	3.407	95	121.0502	3.294	308	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6](C[6,6]C[6]3)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<2>,2|H<1>,3|C<3>,3|C<4>}	C[6](C[6,6]C[6]3)(C[6a]C[6a]2)(C[6]C[6]CH)(H){2|C<4>,2|O<2>,4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	116.4910	0.000	1	116.4910	0.000	1	121.0531	3.407	95	121.0502	3.294	308	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6](C[6,6]C[6]3)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6]C[6]3)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,2|O<2>,3|H<1>,7|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	121.8780	0.000	1	121.8780	0.000	1	121.0531	3.407	95	121.0502	3.294	308	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6]C[5,6]C[6]2)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,4|C<3>,4|H<1>}	C[6](C[6,6]C[5,6]C[6]2)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,2|O<1>,2|O<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.8575	2.180	2	120.8575	4.752	2	121.0531	3.407	95	121.0502	3.294	308	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6]2H)(C[6a]C[6a]2)(C[6]C[6]HN)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|N<3>,2|C<4>,3|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	121.4145	1.771	2	121.0583	1.678	6	121.0531	3.407	95	121.0502	3.294	308	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6]2H)(C[6a]C[6a]2)(C[6]C[6]HN)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|N<3>,2|C<4>,3|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.9325	0.037	2	121.0583	1.678	6	121.0531	3.407	95	121.0502	3.294	308	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6]2H)(C[6a]C[6a]2)(C[6]C[6]HN)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|N<3>,2|C<4>,3|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	120.8280	2.205	2	121.0583	1.678	6	121.0531	3.407	95	121.0502	3.294	308	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{1|C<2>,1|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	121.0150	3.076	2	121.1213	3.962	4	121.0531	3.407	95	121.0502	3.294	308	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{2|C<3>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<4>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.2275	1.542	2	121.1213	3.962	4	121.0531	3.407	95	121.0502	3.294	308	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]CC)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<2>,2|H<1>,3|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]CC)(H){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	120.0600	0.000	1	120.0600	0.000	1	121.0531	3.407	95	121.0502	3.294	308	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]CC)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<2>,2|H<1>,3|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]CC)(H){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	121.3210	0.000	1	121.3210	0.000	1	121.0531	3.407	95	121.0502	3.294	308	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H){3|C<3>,3|C<4>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	120.9080	0.516	2	121.0600	0.136	4	121.0531	3.407	95	121.0502	3.294	308	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H){2|C<4>,3|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.2120	0.222	2	121.0600	0.136	4	121.0531	3.407	95	121.0502	3.294	308	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H){3|C<3>,3|C<4>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	120.6385	1.084	2	120.6385	1.175	2	121.0531	3.407	95	121.0502	3.294	308	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{1|C<3>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,7|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.4605	0.742	2	121.0257	4.904	20	121.0531	3.407	95	121.0502	3.294	308	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{1|C<3>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<3>,2|C<4>,3|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.2815	0.312	2	121.0257	4.904	20	121.0531	3.407	95	121.0502	3.294	308	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{1|C<3>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<3>,3|C<3>,8|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.4965	4.793	2	121.0257	4.904	20	121.0531	3.407	95	121.0502	3.294	308	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{1|C<3>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){3|O<2>,4|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	121.3170	1.696	2	121.0257	4.904	20	121.0531	3.407	95	121.0502	3.294	308	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<2>,2|C<3>,2|C<4>,6|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.2500	3.176	2	121.0257	4.904	20	121.0531	3.407	95	121.0502	3.294	308	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	121.0320	4.158	2	121.0257	4.904	20	121.0531	3.407	95	121.0502	3.294	308	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.0895	4.784	2	121.0257	4.904	20	121.0531	3.407	95	121.0502	3.294	308	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<1>,2|C<3>,4|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.9240	1.802	2	121.0257	4.904	20	121.0531	3.407	95	121.0502	3.294	308	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<1>,2|C<3>,4|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	119.3845	2.160	2	121.0257	4.904	20	121.0531	3.407	95	121.0502	3.294	308	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<2>,2|C<4>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.0220	1.363	2	121.0257	4.904	20	121.0531	3.407	95	121.0502	3.294	308	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HN)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|N<3>,2|C<3>,2|C<4>,7|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.8465	1.165	2	120.9417	1.665	4	121.0531	3.407	95	121.0502	3.294	308	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HN)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|O<2>,3|C<3>,3|C<4>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.0370	1.898	2	120.9417	1.665	4	121.0531	3.407	95	121.0502	3.294	308	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HO)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HO)(H){1|C<4>,3|C<3>,3|O<2>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	120.1500	0.000	1	120.1500	0.000	1	121.0531	3.407	95	121.0502	3.294	308	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HO)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HO)(H){1|C<4>,3|C<3>,3|O<2>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	121.8680	0.000	1	121.8680	0.000	1	121.0531	3.407	95	121.0502	3.294	308	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6]C[6]N)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]N)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,1|O<1>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	121.2740	2.421	2	121.1485	2.021	4	121.0531	3.407	95	121.0502	3.294	308	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6]C[6]N)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]N)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	121.0230	0.372	2	121.1485	2.021	4	121.0531	3.407	95	121.0502	3.294	308	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,4|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.8415	1.853	2	120.8415	3.435	2	121.0531	3.407	95	121.0502	3.294	308	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6]2O[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6]2O[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){2|C<4>,3|C<3>,7|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.9140	1.252	2	120.9140	1.566	2	121.0531	3.407	95	121.0502	3.294	308	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6]3)(C[6a]C[6a]2)(C[6]C[6]CC)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{2|H<1>,3|C<4>,4|C<3>}	C[6](C[6,6]C[6]3)(C[6a]C[6a]2)(C[6]C[6]CC)(H){1|O<2>,5|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.0600	2.674	2	121.0600	7.152	2	121.0531	3.407	95	121.0502	3.294	308	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6]3)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{2|C<4>,3|H<1>,4|C<3>}	C[6](C[6,6]C[6]3)(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|C<4>,2|N<3>,2|O<1>,2|O<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	120.9765	2.932	2	120.9765	8.599	2	121.0531	3.407	95	121.0502	3.294	308	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6]3)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,4|C<3>,4|H<1>}	C[6](C[6,6]C[6]3)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,1|S<1>,2|O<1>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.0645	2.106	2	121.5428	3.463	14	121.0531	3.407	95	121.0502	3.294	308	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6]3)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,4|C<3>,4|H<1>}	C[6](C[6,6]C[6]3)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,3|H<1>,3|O<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	121.5150	2.970	4	121.5428	3.463	14	121.0531	3.407	95	121.0502	3.294	308	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6]3)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,4|C<3>,4|H<1>}	C[6](C[6,6]C[6]3)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,2|N<3>,3|C<3>,3|H<1>,3|O<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	121.6762	1.390	8	121.5428	3.463	14	121.0531	3.407	95	121.0502	3.294	308	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6]3)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,2|O<2>,4|C<3>}	C[6](C[6,6]C[6]3)(C[6a]C[6a]2)(C[6]C[6]HH)(H){2|O<1>,2|O<2>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,2|C<4>,3|H<1>}	120.1040	1.416	2	120.1040	2.004	2	121.0531	3.407	95	121.0502	3.294	308	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6]3)(C[6a]C[6a]2)(C[6]N[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>,3|C<4>}	C[6](C[6,6]C[6]3)(C[6a]C[6a]2)(C[6]N[6]HH)(H){1|C<4>,1|S<4>,5|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	120.8750	3.002	4	120.8750	9.011	4	121.0531	3.407	95	121.0502	3.294	308	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6]N[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C[6](C[6,6]N[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,2|O<2>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.9068	2.561	6	121.0007	4.597	10	121.0531	3.407	95	121.0502	3.294	308	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6]N[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C[6](C[6,6]N[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){2|C<4>,2|O<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	121.2785	2.429	2	121.0007	4.597	10	121.0531	3.407	95	121.0502	3.294	308	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6]N[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C[6](C[6,6]N[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){2|H<1>,2|O<2>,3|C<4>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	121.0045	1.575	2	121.0007	4.597	10	121.0531	3.407	95	121.0502	3.294	308	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:N[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(N[6]C[6]CC)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(N[6]C[6]CC)(H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<4>,1|O<2>,2|H<1>}	120.3490	0.000	1	120.3490	0.000	1	120.9547	2.564	6	121.0502	3.294	308	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:N[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(N[6]C[6]CC)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(N[6]C[6]CC)(H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|N<4>,1|O<2>,2|H<1>}	121.4680	0.000	1	121.4680	0.000	1	120.9547	2.564	6	121.0502	3.294	308	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:N[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(N[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<4>,2|C<3>,5|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(N[6]C[6]HH)(H){1|C<4>,4|C<3>,6|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<4>,3|H<1>}	120.9778	2.016	4	120.9778	4.063	4	120.9547	2.564	6	121.0502	3.294	308	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:P[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]P[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(P[6]O[6]OO)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]P[6]H)(C[6a]C[6a]H)2{1|O<1>,2|O<2>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(P[6]O[6]OO)(H){3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|C<4>,1|P<4>,2|H<1>}	121.0465	3.252	2	121.0465	10.575	2	121.0465	10.575	2	121.0502	3.294	308	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:S[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]S[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6,6]N[5]H)(C[6a]C[6a]2)(S[6]O[6]OO)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]S[6]H)(C[6a]C[6a]H)2{1|N<3>,1|O<2>,2|C<3>,2|O<1>,3|H<1>}	C[6](C[6]C[6,6]N[5]H)(C[6a]C[6a]2)(S[6]O[6]OO)(H){2|H<1>,3|C<3>,3|C<4>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|S<4>,3|H<1>}	120.4875	2.092	2	120.4875	4.378	2	120.4875	4.378	2	121.0502	3.294	308	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[6,6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]N[6,6]C[6]H)(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6](N[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H)	C[6a](C[6]N[6,6]C[6]H)(C[6a]C[6a]2)(C[6a]C[6a]H){1|O<2>,3|C<3>,3|C<4>,4|H<1>}	C[6](N[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<2>,3|C<3>,3|C<4>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,1|N<4>,1|O<2>,2|C<3>}	118.6510	0.000	1	118.6510	0.000	1	118.6510	0.000	1	121.0502	3.294	308	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6](N[6]C[6]CuC)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Cl)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|Cu<4>,2|Cl<1>,1|C<3>,2|H<1>,3|C<4>}	C[6](N[6]C[6]CuC)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,2|H<1>,3|C<3>,3|O<2>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Cl)(H){1|C<3>,1|C<4>,1|N<4>,1|O<2>,2|H<1>}	119.3615	0.155	4	119.3615	0.024	4	120.0923	0.953	12	121.0502	3.294	308	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](N[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,6|H<1>}	C[6](N[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<4>,3|H<1>}	120.8600	1.679	2	120.8600	2.818	2	120.0923	0.953	12	121.0502	3.294	308	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](N[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{2|C<3>,3|C<4>,4|H<1>}	C[6](N[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H){2|C<4>,4|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,1|C<4>,1|N<4>,2|H<1>}	120.5295	1.406	2	120.5295	1.978	2	120.0923	0.953	12	121.0502	3.294	308	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](N[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,5|H<1>}	C[6](N[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){3|C<4>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,1|C<4>,1|N<4>,2|H<1>}	120.2207	0.786	4	120.2207	0.618	4	120.0923	0.953	12	121.0502	3.294	308	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	P[6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]P[6]H)(C[6a]C[6a]H)2	C[6](P[6]C[6]2Pt)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]P[6]H)(C[6a]C[6a]H)2{1|Pt<4>,2|C<3>,2|C<4>,4|H<1>}	C[6](P[6]C[6]2Pt)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<1>,3|C<3>,3|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|P<4>,3|H<1>}	121.1633	1.265	4	121.1633	1.600	4	120.8617	1.406	12	121.0502	3.294	308	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	P[6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]P[6]H)(C[6a]C[6a]H)2	C[6](P[6]C[6a]C[6]Pt)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]P[6]H)(C[6a]C[6a]H)2{1|Pt<4>,1|C<4>,3|C<3>,4|H<1>}	C[6](P[6]C[6a]C[6]Pt)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|P<4>,3|H<1>}	120.7109	1.203	8	120.7109	1.446	8	120.8617	1.406	12	121.0502	3.294	308	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	S[6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]S[6]H)(C[6a]C[6a]H)2	C[6](S[6]C[6,6a]OO)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]S[6]H)(C[6a]C[6a]H)2{2|O<1>,3|C<3>,4|H<1>}	C[6](S[6]C[6,6a]OO)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|S<4>,3|H<1>}	120.4465	1.537	4	120.4465	2.362	4	120.4465	2.362	4	121.0502	3.294	308	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:4:1:	3:3:2:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C-2:	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CC)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,3|C<3>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<2>,1|C<4>,1|N<3>,2|H<1>,2|O<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CC){1|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	119.1050	0.000	1	119.1050	0.000	1	119.1050	0.000	1	120.3701	7.551	10	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:4:1:	3:3:2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,3|C<3>,5|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,2|H<1>,2|O<2>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,2|C<4>,3|H<1>}	122.9480	0.000	1	122.9480	0.000	1	121.5324	11.257	5	120.3701	7.551	10	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:4:1:	3:3:2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){2|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<1>,2|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,2|C<4>,3|H<1>}	119.5610	0.000	1	119.5610	0.000	1	121.5324	11.257	5	120.3701	7.551	10	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:4:1:	3:3:2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HP)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|P<4>,3|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HP)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH){1|C<3>,2|C<4>,3|H<1>}	117.8280	0.000	1	117.8280	0.000	1	121.5324	11.257	5	120.3701	7.551	10	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:4:1:	3:3:2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6](C[6,6]C[6]3)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<2>,2|H<1>,3|C<3>,3|C<4>}	C[6](C[6,6]C[6]3)(C[6a]C[6a]2)(C[6]C[6]CH)(H){2|C<4>,2|O<2>,4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	126.5210	0.000	1	126.5210	0.000	1	121.5324	11.257	5	120.3701	7.551	10	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:4:1:	3:3:2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6](C[6,6]C[6]3)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6]C[6]3)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,2|O<2>,3|H<1>,7|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	120.8040	0.000	1	120.8040	0.000	1	121.5324	11.257	5	120.3701	7.551	10	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:4:1:	3:3:2:	C[6]-4:C[6a]-3:C[6a]-3:	N[6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6](N[6]C[6]CuC)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Cl)(OCu)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|Cu<4>,2|Cl<1>,1|C<3>,2|H<1>,3|C<4>}	C[6](N[6]C[6]CuC)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,2|H<1>,3|C<3>,3|O<2>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Cl)(OCu){1|C<3>,1|C<4>,1|N<4>,3|H<1>}	119.2335	1.771	4	119.2335	3.135	4	119.2335	3.135	4	120.3701	7.551	10	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:4:1:	3:3:3:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6](C[5,6]C[5,6]C[5]C)(C[6a]C[6a]2)(C[6]C[6]HN)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NOO)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]N){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|N<3>,1|O<1>,1|O<2>,2|H<1>,3|C<3>,3|C<4>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NOO){1|C<3>,2|C<4>,3|H<1>}	122.0630	0.082	3	122.0630	0.007	3	122.0630	0.007	3	122.1107	0.014	4	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:4:1:	3:3:3:	C[6]-4:C[6a]-3:C[6a]-3:	N[6,6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6]N[6,6]C[6]H)(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6](N[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6]N[6,6]C[6]H)(C[6a]C[6a]2)(C[6a]C[6a]H){1|O<2>,3|C<3>,3|C<4>,4|H<1>}	C[6](N[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<2>,3|C<3>,3|C<4>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|N<4>,2|O<2>,3|C<3>,3|H<1>}	122.2540	0.000	1	122.2540	0.000	1	122.2540	0.000	1	122.1107	0.014	4	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:4:2:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[6]-4:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]C[6]O)(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6](C[5,6]C[6,6a]C[5]O[5])(C[6a]C[6a]2)(C[6]C[6]HH)(OH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]C[6]O)(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[6](C[5,6]C[6,6a]C[5]O[5])(C[6a]C[6a]2)(C[6]C[6]HH)(OH){1|N<3>,2|C<4>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	113.5550	0.000	1	113.5550	0.000	1	118.8683	21.595	3	119.7438	12.555	5	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:4:2:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[6]-4:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]C[6]O)(C[6a]C[6a]H)2	C[6](C[5,6]C[5,6]O[5]H)(C[6a]C[6a]2)(C[6]C[6]HH)(OH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]C[6]O)(C[6a]C[6a]H)2{1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6a]C[6a]2)(C[6]C[6]HH)(OH){2|C<4>,3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	121.5250	0.918	2	121.5250	0.842	2	118.8683	21.595	3	119.7438	12.555	5	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:4:2:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6a]-3:C[6]-4:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]C[6]O)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(OH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]C[6]O)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(OH){1|O<1>,2|C<4>,3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	121.0570	1.133	2	121.0570	1.283	2	121.0570	1.283	2	119.7438	12.555	5	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:4:2:	3:3:3:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[6]-4:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a](C[6]C[5,6]C[6]O)(C[6a]C[6a]H)(C[6a]C[6a]N)	C[6](C[5,6]C[6,6a]C[5]O[5])(C[6a]C[6a]2)(C[6]C[6]HH)(OH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NC[5]H)	C[6a](C[6]C[5,6]C[6]O)(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[6](C[5,6]C[6,6a]C[5]O[5])(C[6a]C[6a]2)(C[6]C[6]HH)(OH){1|N<3>,2|C<4>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NC[5]H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	129.4280	0.000	1	129.4280	0.000	1	129.4280	0.000	1	129.4280	0.000	1	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:4:3:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6a]-3:C[6]-4:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]C[6]C)(C[6a]C[6a]H)2	C[6](C[5,6]C[5,6a]C[5]O[6])(C[6a]C[6a]2)(C[6]C[6]HH)(COO)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]C[6]C)(C[6a]C[6a]H)2{1|O<2>,4|C<3>,4|H<1>}	C[6](C[5,6]C[5,6a]C[5]O[6])(C[6a]C[6a]2)(C[6]C[6]HH)(COO){1|C<4>,1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	120.7455	1.090	2	120.7455	1.187	2	120.7455	1.187	2	120.9255	0.591	4	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:3:4:3:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:P[6]-4:C[6]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]2P[6])(C[6a]C[6a]H)2	C[6](C[6]C[6,6a]HO)(C[6a]C[6a]2)(P[6]O[6]2O)(C[6]S[6]C)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]2P[6])(C[6a]C[6a]H)2{1|O<1>,1|S<2>,3|C<3>,3|H<1>,3|O<2>}	C[6](C[6]C[6,6a]HO)(C[6a]C[6a]2)(P[6]O[6]2O)(C[6]S[6]C){2|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|P<4>,2|C<3>,2|H<1>}	121.1055	0.675	2	121.1055	0.456	2	121.1055	0.456	2	120.9255	0.591	4	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:4:3:1:	3:2:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6,6]-4:C[6a]-3:H-1:	C[6a]-3:N[6a]-2:H-1:	C[6a](C[6]C[5,6]C[6,6]H)(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a])(H)	C[6a](C[6]C[5,6]C[6,6]H)(C[6a]C[6a]H)(C[6a]N[6a]H){2|C<4>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(H){1|C<4>,1|N<2>,1|N<3>,1|O<2>,2|O<1>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a])(H){1|C<3>,2|C<4>,3|H<1>}	119.0000	0.373	2	119.0000	0.139	2	119.0000	0.139	2	119.0000	0.139	2	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[3,6]-4:C[3,6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[3,6]2H)(C[6a]C[6a]H)2	C[6](C[3,6]C[3,6]O[3]H)2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[3,6]2H)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[6](C[3,6]C[3,6]O[3]H)2(C[6a]C[6a]2)(H){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	120.8590	0.168	2	120.8590	0.028	2	120.8590	0.028	2	121.1189	4.225	148	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[3,6]-4:C[6]-4:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[3,6]C[6]H)(C[6a]C[5,6a]H)(C[6a]C[6a]Br)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[5,6]N[5a]H)(C[6a]C[6a]2)(H)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[6])(H)	C[6a](C[6]C[3,6]C[6]H)(C[6a]C[5,6a]H)(C[6a]C[6a]Br){1|C<3>,1|N<3>,2|C<4>,2|O<2>,3|H<1>}	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[5,6]N[5a]H)(C[6a]C[6a]2)(H){1|Br<1>,1|C<4>,1|N<3>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[6])(H){1|Br<1>,1|C<3>,1|H<1>,1|O<2>,3|C<4>}	119.4940	0.000	1	119.4940	0.000	1	119.4940	0.000	1	121.1189	4.225	148	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[3,6]-4:C[6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:Br-1:	C[6a](C[6]C[3,6]C[6]H)(C[6a]C[5,6a]H)(C[6a]C[6a]Br)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[5,6]N[5a]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[5,6a]H)(Br)	C[6a](C[6]C[3,6]C[6]H)(C[6a]C[5,6a]H)(C[6a]C[6a]Br){1|C<3>,1|N<3>,2|C<4>,2|O<2>,3|H<1>}	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[5,6]N[5a]H)(C[6a]C[6a]2)(H){1|Br<1>,1|C<4>,1|N<3>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[5,6a]H)(Br){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	122.8220	0.000	1	122.8220	0.000	1	122.8220	0.000	1	121.1189	4.225	148	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[3,6]-4:C[6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[3,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[3,6]C[3,6]N[3]H)(C[6]C[6,6a]CH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[3,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[6](C[3,6]C[3,6]N[3]H)(C[6]C[6,6a]CH)(C[6a]C[6a]2)(H){1|S<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	121.3300	0.420	2	121.3300	0.176	2	121.3300	0.176	2	121.1189	4.225	148	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[4,6]-4:C[6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[4,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[4,6]C[4,5,6]C[4,6a]H)(C[6]C[5]C[6]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[4,6]C[6]H)(C[6a]C[6a]H)2{2|C<3>,3|C<4>,4|H<1>}	C[6](C[4,6]C[4,5,6]C[4,6a]H)(C[6]C[5]C[6]H)(C[6a]C[6a]2)(H){2|C<4>,2|N<3>,4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.7165	5.386	2	121.2331	5.432	8	121.2066	5.204	10	121.1189	4.225	148	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[4,6]-4:C[6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[4,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[4,6]C[4,5,6]C[4,6a]H)(C[6]C[5]C[6]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[4,6]C[6]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,4|H<1>}	C[6](C[4,6]C[4,5,6]C[4,6a]H)(C[6]C[5]C[6]H)(C[6a]C[6a]2)(H){1|N<2>,1|N<3>,2|C<4>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.0720	1.295	6	121.2331	5.432	8	121.2066	5.204	10	121.1189	4.225	148	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[4,6]-4:C[6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[4,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[5,6]HH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[4,6]C[6]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,5|H<1>}	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[5,6]HH)(C[6a]C[6a]2)(H){1|C<4>,1|O<2>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.1005	2.963	2	121.1005	8.782	2	121.2066	5.204	10	121.1189	4.225	148	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:Br-1:	C[6a](C[6]C[5,6]2H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	C[6](C[5,6]C[5]2C[6])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Br)	C[6a](C[6]C[5,6]2H)(C[6a]C[6a]Br)(C[6a]C[6a]H){2|C<4>,2|H<1>,5|C<3>}	C[6](C[5,6]C[5]2C[6])2(C[6a]C[6a]2)(H){1|Br<1>,1|C<4>,1|N<3>,3|H<1>,4|O<1>,7|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Br){1|C<3>,2|C<4>,3|H<1>}	122.7520	0.000	1	122.7520	0.000	1	122.7520	0.000	1	121.1189	4.225	148	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]2H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	C[6](C[5,6]C[5]2C[6])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]2H)(C[6a]C[6a]Br)(C[6a]C[6a]H){2|C<4>,2|H<1>,5|C<3>}	C[6](C[5,6]C[5]2C[6])2(C[6a]C[6a]2)(H){1|Br<1>,1|C<4>,1|N<3>,3|H<1>,4|O<1>,7|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	121.3170	0.000	1	121.3170	0.000	1	120.7802	2.752	5	121.1189	4.225	148	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]2H)(C[6a]C[6a]H)2	C[6](C[5,6]C[5]C[6]N[5])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]2H)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,2|N<2>,3|C<3>}	C[6](C[5,6]C[5]C[6]N[5])2(C[6a]C[6a]2)(H){1|C<4>,2|O<1>,2|O<2>,4|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.6460	1.884	4	120.6460	3.549	4	120.7802	2.752	5	121.1189	4.225	148	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6,6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:Br-1:	C[6a](C[6]C[5,6]C[6,6]H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Br)	C[6a](C[6]C[5,6]C[6,6]H)(C[6a]C[6a]Br)(C[6a]C[6a]H){1|C<4>,3|H<1>,5|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(H){1|Br<1>,1|C<4>,1|O<1>,2|N<3>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(Br){1|C<3>,2|C<4>,3|H<1>}	124.5020	0.000	1	124.5020	0.000	1	124.5020	0.000	1	121.1189	4.225	148	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6,6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]C[6,6]H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]C[6,6]H)(C[6a]C[6a]Br)(C[6a]C[6a]H){1|C<4>,3|H<1>,5|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(H){1|Br<1>,1|C<4>,1|O<1>,2|N<3>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	119.7080	0.000	1	119.7080	0.000	1	121.3585	9.145	19	121.1189	4.225	148	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6,6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]C[6,6]H)(C[6a]C[6a]H)(C[6a]N[6a]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]C[6,6]H)(C[6a]C[6a]H)(C[6a]N[6a]H){2|C<4>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(H){1|C<4>,1|N<2>,1|N<3>,1|O<2>,2|O<1>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|N<2>,2|C<4>,3|H<1>}	124.6205	0.078	2	124.6205	0.006	2	121.3585	9.145	19	121.1189	4.225	148	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6,6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]C[6,6]H)(C[6a]C[6a]H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]C[6,6]H)(C[6a]C[6a]H)2{2|C<4>,3|H<1>,4|C<3>}	C[6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|C<4>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.8090	4.620	2	121.8090	21.347	2	121.3585	9.145	19	121.1189	4.225	148	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6,6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]C[6,6]H)(C[6a]C[6a]H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Br)(H)	C[6a](C[6]C[5,6]C[6,6]H)(C[6a]C[6a]H)2{2|Br<1>,2|C<4>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,2|C<4>,4|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Br)(H){1|C<3>,2|C<4>,3|H<1>}	120.6325	3.053	6	120.6325	9.324	6	121.3585	9.145	19	121.1189	4.225	148	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6,6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]C[6,6]H)(C[6a]C[6a]H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H)	C[6a](C[6]C[5,6]C[6,6]H)(C[6a]C[6a]H)2{3|C<3>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]C)(H){1|C<3>,2|C<4>,3|H<1>}	123.2920	0.000	1	123.2920	0.000	1	121.3585	9.145	19	121.1189	4.225	148	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6,6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]C[6,6]H)(C[6a]C[6a]H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Cl)(H)	C[6a](C[6]C[5,6]C[6,6]H)(C[6a]C[6a]H)2{1|Cl<1>,2|C<4>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]Cl)(H){1|C<3>,2|C<4>,3|H<1>}	123.7120	0.000	1	123.7120	0.000	1	121.3585	9.145	19	121.1189	4.225	148	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6,6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]C[6,6]H)(C[6a]C[6a]H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]C[6,6]H)(C[6a]C[6a]H)2{1|Cl<1>,2|C<4>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	118.0450	0.000	1	119.7780	9.020	4	121.3585	9.145	19	121.1189	4.225	148	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6,6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]C[6,6]H)(C[6a]C[6a]H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]C[6,6]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<2>,2|O<1>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	121.2680	4.250	2	119.7780	9.020	4	121.3585	9.145	19	121.1189	4.225	148	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6,6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]C[6,6]H)(C[6a]C[6a]H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]C[6,6]H)(C[6a]C[6a]H)2{3|C<3>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	118.5310	0.000	1	119.7780	9.020	4	121.3585	9.145	19	121.1189	4.225	148	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6,6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]C[6,6]H)(C[6a]C[6a]H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]N[6a]H)(H)	C[6a](C[6]C[5,6]C[6,6]H)(C[6a]C[6a]H)2{1|N<2>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<2>,2|O<1>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]N[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	121.6670	4.748	2	121.6670	22.539	2	121.3585	9.145	19	121.1189	4.225	148	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6,6a]CH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6,6a]CH)(C[6a]C[6a]2)(H){1|O<2>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	123.0920	0.000	1	123.0920	0.000	1	121.1325	3.892	67	121.1189	4.225	148	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6a]HH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,4|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6a]HH)(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	121.4755	5.420	2	121.4755	29.376	2	121.1325	3.892	67	121.1189	4.225	148	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]C[6a]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]C[6a]H)(C[6a]C[6a]2)(H){1|N<3>,2|C<4>,5|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.9310	2.369	2	120.9310	5.611	2	121.1325	3.892	67	121.1189	4.225	148	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5a,6]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5a,6]C[5]H)(C[6a]C[6a]2)(H){1|C<4>,1|N<2>,1|N<3>,1|O<1>,4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	121.2540	2.397	2	121.2540	5.746	2	121.1325	3.892	67	121.1189	4.225	148	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5a,6]HH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5a,6]HH)(C[6a]C[6a]2)(H){1|O<1>,2|N<3>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	121.5185	2.857	2	121.5185	8.165	2	121.1325	3.892	67	121.1189	4.225	148	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]BrH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{1|Br<1>,1|C<3>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]BrH)(C[6a]C[6a]2)(H){2|O<2>,5|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.2998	1.986	4	121.2998	3.944	4	121.1325	3.892	67	121.1189	4.225	148	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,4|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<1>,4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	120.9400	2.380	2	120.9400	5.665	2	121.1325	3.892	67	121.1189	4.225	148	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[5,6]C[5,6]C[5]Ru)(C[6]C[6a]O[6]O)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{1|Ru<10>,2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6](C[5,6]C[5,6]C[5]Ru)(C[6]C[6a]O[6]O)(C[6a]C[6a]2)(H){2|H<1>,4|C<3>,4|C<4>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.8620	2.619	2	120.8620	6.860	2	121.1325	3.892	67	121.1189	4.225	148	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[5,6]C[5,6]N[5,6]C)(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{1|C<2>,1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]N[5,6]C)(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H){1|C<2>,1|N<2>,3|H<1>,7|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	120.9180	2.925	2	120.9180	8.553	2	121.1325	3.892	67	121.1189	4.225	148	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[5a,6]HH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,4|C<3>,4|H<1>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[5a,6]HH)(C[6a]C[6a]2)(H){1|O<1>,2|N<3>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.9430	3.104	4	121.9430	9.637	4	121.1325	3.892	67	121.1189	4.225	148	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6,6]CH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{2|C<4>,3|H<1>,4|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6,6]CH)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,4|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	120.6555	2.568	2	120.6555	6.592	2	121.1325	3.892	67	121.1189	4.225	148	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6,6]HN)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,2|N<3>,3|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6,6]HN)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,4|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.1920	0.000	1	120.1920	0.000	1	121.1325	3.892	67	121.1189	4.225	148	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6,6]HN)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]N)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,2|N<3>,3|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6,6]HN)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,4|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]N)(H){1|C<3>,2|C<4>,3|H<1>}	120.4330	0.000	1	120.4330	0.000	1	121.1325	3.892	67	121.1189	4.225	148	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,3|H<1>,5|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,4|H<1>,8|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.0380	2.281	2	121.2673	2.196	4	121.1325	3.892	67	121.1189	4.225	148	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{2|C<4>,3|H<1>,4|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|C<4>,5|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.4965	1.084	2	121.2673	2.196	4	121.1325	3.892	67	121.1189	4.225	148	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[5,6]C[5]2C[6])(C[6]C[5,6]CH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{3|C<3>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[5,6]CH)(C[6a]C[6a]2)(H){1|C<4>,2|O<1>,2|O<2>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.1103	1.794	4	121.1103	3.217	4	121.1325	3.892	67	121.1189	4.225	148	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[5,6]C[5]2C[6])(C[6]C[5,6]HH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{1|C<3>,4|C<4>,4|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[5,6]HH)(C[6a]C[6a]2)(H){1|N<3>,2|C<3>,3|C<4>,9|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.1245	2.596	2	120.9714	2.482	14	121.1325	3.892	67	121.1189	4.225	148	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[5,6]C[5]2C[6])(C[6]C[5,6]HH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,4|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[5,6]HH)(C[6a]C[6a]2)(H){1|C<4>,2|O<1>,2|O<2>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	121.0576	1.614	8	120.9714	2.482	14	121.1325	3.892	67	121.1189	4.225	148	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[5,6]C[5]2C[6])(C[6]C[5,6]HH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,4|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[5,6]HH)(C[6a]C[6a]2)(H){1|C<4>,2|O<1>,2|O<2>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.7225	1.520	4	120.9714	2.482	14	121.1325	3.892	67	121.1189	4.225	148	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[5,6]C[5]2C[6])(C[6]C[5a,6]CH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,3|H<1>,5|C<3>}	C[6](C[5,6]C[5]2C[6])(C[6]C[5a,6]CH)(C[6a]C[6a]2)(H){1|N<3>,2|O<1>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.1830	1.263	4	121.2907	1.783	6	121.1325	3.892	67	121.1189	4.225	148	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[5,6]C[5]2C[6])(C[6]C[5a,6]CH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,3|H<1>,5|C<3>}	C[6](C[5,6]C[5]2C[6])(C[6]C[5a,6]CH)(C[6a]C[6a]2)(H){1|N<3>,2|O<1>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	121.5060	1.997	2	121.2907	1.783	6	121.1325	3.892	67	121.1189	4.225	148	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[5,6]C[5]2C[6])(C[6]C[6,6]HH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{2|C<3>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6,6]HH)(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,2|N<3>,3|C<3>,7|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.8555	1.218	2	120.8555	1.484	2	121.1325	3.892	67	121.1189	4.225	148	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[5,6]C[5]2C[6])(C[6]C[6,6]HN)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{1|N<3>,2|C<4>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6,6]HN)(C[6a]C[6a]2)(H){1|C<4>,2|N<3>,2|O<1>,3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.6753	2.309	4	120.6753	5.331	4	121.1325	3.892	67	121.1189	4.225	148	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[5,6]C[5]2C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{3|H<1>,6|C<3>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]2)(H){2|H<1>,3|O<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	121.6210	1.206	2	121.6210	1.455	2	121.1325	3.892	67	121.1189	4.225	148	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[5,6]C[5]2C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,3|H<1>,5|C<3>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H){2|O<1>,4|H<1>,8|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.8930	4.146	4	120.8930	17.188	4	121.1325	3.892	67	121.1189	4.225	148	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[3x6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[3x6]C[6,6]H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6a]C[6,6]O)(C[3x6]C[3x6]C[4x6]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[3x6]C[6,6]H)(C[6a]C[6a]H)2{1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]O)(C[3x6]C[3x6]C[4x6]H)(C[6a]C[6a]2)(H){3|H<1>,5|C<3>,6|C<4>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.0000	2.410	2	121.0000	5.807	2	121.0000	5.807	2	121.1189	4.225	148	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]C[6,6]H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]2C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]C[6,6]H)(C[6a]C[6a]H)2{3|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]2C[6])(C[6a]C[6a]2)(H){1|N<3>,1|O<2>,2|O<1>,5|H<1>,7|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.9717	1.770	6	120.9717	3.134	6	120.9717	3.134	6	121.1189	4.225	148	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6,6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]2H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]3)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]2H)(C[6a]C[6a]H)2{1|C<4>,3|H<1>,5|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]3)(C[6a]C[6a]2)(H){1|C<4>,2|O<1>,3|N<3>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	121.3255	2.717	2	121.3255	7.384	2	121.2498	2.693	4	121.1189	4.225	148	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6,6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]2H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]N[6,6]C[6]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]2H)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]N[6,6]C[6]H)(C[6a]C[6a]2)(H){2|O<2>,3|C<4>,4|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	121.1740	0.819	2	121.1740	0.670	2	121.2498	2.693	4	121.1189	4.225	148	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6a]C[6a]2)(H){1|N<2>,1|O<2>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.8980	3.124	2	120.8980	9.759	2	120.9566	2.473	14	121.1189	4.225	148	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]CH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]CH)(C[6a]C[6a]2)(H){2|C<4>,4|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.1040	0.208	2	121.1040	0.043	2	120.9566	2.473	14	121.1189	4.225	148	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(C[6a]C[6a]2)(H){1|C<4>,4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.0405	1.954	2	121.0405	3.817	2	120.9566	2.473	14	121.1189	4.225	148	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,4|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<1>,4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	121.2890	2.415	2	121.2890	5.835	2	120.9566	2.473	14	121.1189	4.225	148	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6]O[6]N)(C[6]C[6a]N[6]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<2>,1|N<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]O[6]N)(C[6]C[6a]N[6]H)(C[6a]C[6a]2)(H){1|C<4>,5|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.8925	1.224	2	120.8925	1.498	2	120.9566	2.473	14	121.1189	4.225	148	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6]3)(C[6]C[6]BrH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{1|Br<1>,2|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6]C[6]3)(C[6]C[6]BrH)(C[6a]C[6a]2)(H){1|N<3>,4|C<3>,8|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.7360	1.889	4	120.7360	3.569	4	120.9566	2.473	14	121.1189	4.225	148	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:P[6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]P[6]H)(C[6a]C[6a]H)2	C[6](C[6,6]C[6,6]C[6]C)(P[6]C[6]PtC)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]P[6]H)(C[6a]C[6a]H)2{1|Pt<4>,2|H<1>,3|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(P[6]C[6]PtC)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|P<4>,2|H<1>}	121.1175	2.201	2	121.1175	4.845	2	121.2500	2.475	3	121.1189	4.225	148	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:P[6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]P[6]H)(C[6a]C[6a]Pt)(C[6a]C[6a]H)	C[6](C[6,6]C[6,6]C[6]C)(P[6]C[6]PtC)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]P[6]H)(C[6a]C[6a]Pt)(C[6a]C[6a]H){2|H<1>,3|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(P[6]C[6]PtC)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Pt<4>,1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|P<4>}	121.5150	0.000	1	121.5150	0.000	1	121.2500	2.475	3	121.1189	4.225	148	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6,6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]2O[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,2|H<1>,2|O<2>,4|C<3>}	C[6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]2O[6])(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,2|C<4>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	115.6780	0.000	1	115.6780	0.000	1	120.2196	6.885	7	121.1189	4.225	148	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6,6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[5,6]HH)(C[6,6]C[6]3)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6,6]C[6]3)(C[6a]C[6a]2)(H){1|C<4>,2|O<1>,3|C<3>,3|H<1>,4|O<2>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|F<1>,2|C<4>,2|H<1>}	121.1268	2.222	4	121.1268	4.938	4	120.2196	6.885	7	121.1189	4.225	148	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6,6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6,6a]HH)(C[6,6]C[6]3)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,4|C<3>,4|H<1>}	C[6](C[6]C[6,6a]HH)(C[6,6]C[6]3)(C[6a]C[6a]2)(H){2|N<3>,2|O<1>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	120.6760	1.471	2	120.6760	2.163	2	120.2196	6.885	7	121.1189	4.225	148	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:N[6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6](C[6]C[6,6]C[6a]H)(N[6]C[6,6]HH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){2|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[6,6]C[6a]H)(N[6]C[6,6]HH)(C[6a]C[6a]2)(H){1|C<4>,1|N<2>,2|H<1>,2|O<2>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<4>,1|O<2>,2|H<1>}	121.9250	0.000	1	121.9250	0.000	1	120.8260	2.714	3	121.1189	4.225	148	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:N[6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	C[6](C[6]C[6a]N[6]H)(N[6]C[6,6]HH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[6](C[6]C[6a]N[6]H)(N[6]C[6,6]HH)(C[6a]C[6a]2)(H){2|C<4>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<4>,3|H<1>}	120.2765	1.901	2	120.2765	3.615	2	120.8260	2.714	3	121.1189	4.225	148	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:4:3:1:	3:3:2:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6,6a]CH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6,6a]CH)(C[6a]C[6a]2)(H){1|O<2>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC){1|C<3>,2|C<4>,3|H<1>}	119.6450	0.000	1	119.6450	0.000	1	119.6450	0.000	1	121.7957	18.169	3	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:4:3:1:	3:3:2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6,6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]2O[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(OC)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,2|H<1>,2|O<2>,4|C<3>}	C[6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]2O[6])(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,2|C<4>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(OC){1|C<3>,2|C<4>,3|H<1>}	126.7050	0.000	1	126.7050	0.000	1	126.7050	0.000	1	121.7957	18.169	3	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:4:3:1:	3:3:2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:N[6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[6](C[6]C[6,6]C[6a]H)(N[6]C[6,6]HH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){2|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[6,6]C[6a]H)(N[6]C[6,6]HH)(C[6a]C[6a]2)(H){1|C<4>,1|N<2>,2|H<1>,2|O<2>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OH){1|C<3>,1|C<4>,1|N<4>,3|H<1>}	119.0370	0.000	1	119.0370	0.000	1	119.0370	0.000	1	121.7957	18.169	3	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:4:3:2:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6]-4:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]C[6]O)(C[6a]C[6a]H)2	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6,6]HH)(C[6a]C[6a]2)(OC)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]C[6]O)(C[6a]C[6a]H)2{1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6,6]HH)(C[6a]C[6a]2)(OC){2|C<3>,4|C<4>,6|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	123.4770	0.000	1	123.4770	0.000	1	121.0370	2.834	6	121.0036	1.724	10	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:4:3:2:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6]-4:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]C[6]O)(C[6a]C[6a]H)2	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6,6]HH)(C[6a]C[6a]2)(OC)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H)	C[6a](C[6]C[5,6]C[6]O)(C[6a]C[6a]H)2{1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6,6]HH)(C[6a]C[6a]2)(OC){2|C<3>,4|C<4>,6|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]O)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	118.3570	0.000	1	118.3570	0.000	1	121.0370	2.834	6	121.0036	1.724	10	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:4:3:2:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6]-4:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]C[6]O)(C[6a]C[6a]H)2	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[5,6]HH)(C[6a]C[6a]2)(OH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]C[6]O)(C[6a]C[6a]H)2{1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[5,6]HH)(C[6a]C[6a]2)(OH){3|C<3>,3|C<4>,6|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	121.0970	0.583	4	121.0970	0.340	4	121.0370	2.834	6	121.0036	1.724	10	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:4:3:2:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6]-4:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]C[6]N)(C[6a]C[6a]H)2	C[6](C[6,6]N[6,6]C[6]O)(C[6]C[6,6a]HO)(C[6a]C[6a]2)(NN)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]C[6]N)(C[6a]C[6a]H)2{1|N<3>,2|O<2>,3|C<3>,3|H<1>}	C[6](C[6,6]N[6,6]C[6]O)(C[6]C[6,6a]HO)(C[6a]C[6a]2)(NN){1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	121.0980	0.885	2	121.0980	0.784	2	121.0980	0.784	2	121.0036	1.724	10	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:4:3:2:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6]-4:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[6,6]C[6]O)(C[6a]C[6a]H)2	C[6](C[6,6]N[6,6]C[6]O)(C[6]C[6,6a]HO)(C[6a]C[6a]2)(OH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[6,6]C[6]O)(C[6a]C[6a]H)2{1|N<3>,2|O<2>,3|C<3>,3|H<1>}	C[6](C[6,6]N[6,6]C[6]O)(C[6]C[6,6a]HO)(C[6a]C[6a]2)(OH){1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	120.8090	0.677	2	120.8090	0.459	2	120.8090	0.459	2	121.0036	1.724	10	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	0:SP2_SP2_SP3	C[6a]	C[6]	C[6a]	4:3:3:	4:4:3:3:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5,6]-4:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6]C[5,6]2C)(C[6a]C[6a]H)2	C[6](C[5,6]C[5,6]C[5]H)2(C[6a]C[6a]2)(COO)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](C[6]C[5,6]2C)(C[6a]C[6a]H)2{1|C<4>,4|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)2(C[6a]C[6a]2)(COO){1|C<4>,1|N<3>,1|O<1>,1|S<2>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	120.6665	1.074	2	120.6665	1.154	2	120.6665	1.154	2	120.6665	1.154	2	120.9066	2.991	11177	121.5280	6.280	23516
643	466	643	6:SP2_SP2_SP3	C[3x6,6a]	C[4x6]	C[3x6,6a]	3:4:3:	3:3:3:2:	3:4:3:	C[3x6,6a]-3:C[4x6]-4:C[6,6a]-3:	C[3x6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:O[6]-2:	C[3x6,6a]-3:C[4x6]-4:C[6,6a]-3:	C[3x6,6a](C[3x6,6a]C[6,6a]C[4x6])(C[4x6]C[6,6,6a]2O[6])(C[6,6a]C[5a,6]C[6a])	C[4x6](C[3x6,6a]C[3x6,6a]C[6,6a])(C[6,6,6a]C[6,6,6a]C[6a])2(O[6]C[5a,6])	C[3x6,6a](C[3x6,6a]C[6,6a]C[4x6])(C[4x6]C[6,6,6a]2O[6])(C[6,6a]C[5a,6]C[6a])	C[3x6,6a](C[3x6,6a]C[6,6a]C[4x6])(C[4x6]C[6,6,6a]2O[6])(C[6,6a]C[5a,6]C[6a]){1|H<1>,1|O<2>,1|S<2>,7|C<3>}	C[4x6](C[3x6,6a]C[3x6,6a]C[6,6a])(C[6,6,6a]C[6,6,6a]C[6a])2(O[6]C[5a,6]){1|C<4>,2|H<1>,8|C<3>}	C[3x6,6a](C[3x6,6a]C[6,6a]C[4x6])(C[4x6]C[6,6,6a]2O[6])(C[6,6a]C[5a,6]C[6a]){1|H<1>,1|O<2>,1|S<2>,7|C<3>}	113.6340	0.018	2	113.6340	0.000	2	113.6585	0.006	4	113.6585	0.006	4	113.6585	0.006	4	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[3x6,6a]	C[4x6]	C[3x6,6a]	3:4:3:	3:3:3:2:	3:4:3:	C[3x6,6a]-3:C[4x6]-4:C[6,6a]-3:	C[3x6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:O[6]-2:	C[3x6,6a]-3:C[4x6]-4:C[6,6a]-3:	C[3x6,6a](C[3x6,6a]C[6,6a]C[4x6])(C[4x6]C[6,6,6a]2O[6])(C[6,6a]C[6,6a]C[6a])	C[4x6](C[3x6,6a]C[3x6,6a]C[6,6a])(C[6,6,6a]C[6,6,6a]C[6a])2(O[6]C[6,6a])	C[3x6,6a](C[3x6,6a]C[6,6a]C[4x6])(C[4x6]C[6,6,6a]2O[6])(C[6,6a]C[6,6a]C[6a])	C[3x6,6a](C[3x6,6a]C[6,6a]C[4x6])(C[4x6]C[6,6,6a]2O[6])(C[6,6a]C[6,6a]C[6a]){1|H<1>,1|O<2>,8|C<3>}	C[4x6](C[3x6,6a]C[3x6,6a]C[6,6a])(C[6,6,6a]C[6,6,6a]C[6a])2(O[6]C[6,6a]){1|C<4>,2|H<1>,8|C<3>}	C[3x6,6a](C[3x6,6a]C[6,6a]C[4x6])(C[4x6]C[6,6,6a]2O[6])(C[6,6a]C[6,6a]C[6a]){1|H<1>,1|O<2>,8|C<3>}	113.6830	0.120	2	113.6830	0.014	2	113.6585	0.006	4	113.6585	0.006	4	113.6585	0.006	4	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[3x6,6a]	C[4x6]	C[6,6,6a]	4:3:3:	3:3:3:2:	4:3:3:	C[4x6]-4:C[6,6,6a]-3:C[6,6a]-3:	C[3x6,6a]-3:C[6,6]-3:C[6,6a]-3:O[6,6]-2:	C[5,3x6]-4:C[3x6,6a]-3:C[6a,6a]-3:	C[3x6,6a](C[4x6]C[6,6a]C[6,6]O[6,6])(C[6,6,6a]C[5,3x6]C[6a,6a])(C[6,6a]C[6a]Si[6])	C[4x6](C[3x6,6a]C[6,6,6a]C[6,6a])(C[6,6]C[5,6,6]C[6a])(C[6,6a]C[6,6a]C[6a])(O[6,6]O[6,6])	C[6,6,6a](C[5,3x6]C[5,6,6]C[5,6a]O[6,6])(C[3x6,6a]C[6,6a]C[4x6])(C[6a,6a]C[6a,6a]C[6a])	C[3x6,6a](C[4x6]C[6,6a]C[6,6]O[6,6])(C[6,6,6a]C[5,3x6]C[6a,6a])(C[6,6a]C[6a]Si[6]){1|H<1>,1|O<2>,2|C<4>,7|C<3>}	C[4x6](C[3x6,6a]C[6,6,6a]C[6,6a])(C[6,6]C[5,6,6]C[6a])(C[6,6a]C[6,6a]C[6a])(O[6,6]O[6,6]){2|Si<4>,1|C<4>,1|H<1>,6|C<3>}	C[6,6,6a](C[5,3x6]C[5,6,6]C[5,6a]O[6,6])(C[3x6,6a]C[6,6a]C[4x6])(C[6a,6a]C[6a,6a]C[6a]){2|Si<4>,1|H<1>,1|O<2>,7|C<3>}	112.7100	0.000	1	112.7100	0.000	1	112.7100	0.000	1	112.7100	0.000	1	112.7100	0.000	1	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[3x6,6a]	C[4x6]	C[6,6a]	3:4:3:	3:3:3:2:	3:3:3:	C[3x6,6a]-3:C[4x6]-4:C[6,6a]-3:	C[3x6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:O[6]-2:	C[3x6,6a]-3:C[5a,6]-3:C[6a]-3:	C[3x6,6a](C[3x6,6a]C[6,6a]C[4x6])(C[4x6]C[6,6,6a]2O[6])(C[6,6a]C[5a,6]C[6a])	C[4x6](C[3x6,6a]C[3x6,6a]C[6,6a])(C[6,6,6a]C[6,6,6a]C[6a])2(O[6]C[5a,6])	C[6,6a](C[3x6,6a]C[3x6,6a]C[4x6])(C[5a,6]C[5a,6]S[5a])(C[6a]C[6a]H)	C[3x6,6a](C[3x6,6a]C[6,6a]C[4x6])(C[4x6]C[6,6,6a]2O[6])(C[6,6a]C[5a,6]C[6a]){1|H<1>,1|O<2>,1|S<2>,7|C<3>}	C[4x6](C[3x6,6a]C[3x6,6a]C[6,6a])(C[6,6,6a]C[6,6,6a]C[6a])2(O[6]C[5a,6]){1|C<4>,2|H<1>,8|C<3>}	C[6,6a](C[3x6,6a]C[3x6,6a]C[4x6])(C[5a,6]C[5a,6]S[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	124.8475	0.054	2	124.8475	0.003	2	124.8475	0.003	2	124.4772	0.186	4	124.6426	0.276	5	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[3x6,6a]	C[4x6]	C[6,6a]	3:4:3:	3:3:3:2:	3:3:3:	C[3x6,6a]-3:C[4x6]-4:C[6,6a]-3:	C[3x6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:O[6]-2:	C[3x6,6a]-3:C[6,6a]-3:C[6a]-3:	C[3x6,6a](C[3x6,6a]C[6,6a]C[4x6])(C[4x6]C[6,6,6a]2O[6])(C[6,6a]C[6,6a]C[6a])	C[4x6](C[3x6,6a]C[3x6,6a]C[6,6a])(C[6,6,6a]C[6,6,6a]C[6a])2(O[6]C[6,6a])	C[6,6a](C[3x6,6a]C[3x6,6a]C[4x6])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)	C[3x6,6a](C[3x6,6a]C[6,6a]C[4x6])(C[4x6]C[6,6,6a]2O[6])(C[6,6a]C[6,6a]C[6a]){1|H<1>,1|O<2>,8|C<3>}	C[4x6](C[3x6,6a]C[3x6,6a]C[6,6a])(C[6,6,6a]C[6,6,6a]C[6a])2(O[6]C[6,6a]){1|C<4>,2|H<1>,8|C<3>}	C[6,6a](C[3x6,6a]C[3x6,6a]C[4x6])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	124.1070	0.088	2	124.1070	0.008	2	124.1070	0.008	2	124.4772	0.186	4	124.6426	0.276	5	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[3x6,6a]	C[4x6]	C[6,6a]	4:3:3:	3:3:3:2:	3:4:3:	C[4x6]-4:C[6,6,6a]-3:C[6,6a]-3:	C[3x6,6a]-3:C[6,6]-3:C[6,6a]-3:O[6,6]-2:	C[3x6,6a]-3:Si[6]-4:C[6a]-3:	C[3x6,6a](C[4x6]C[6,6a]C[6,6]O[6,6])(C[6,6,6a]C[5,3x6]C[6a,6a])(C[6,6a]C[6a]Si[6])	C[4x6](C[3x6,6a]C[6,6,6a]C[6,6a])(C[6,6]C[5,6,6]C[6a])(C[6,6a]C[6,6a]C[6a])(O[6,6]O[6,6])	C[6,6a](C[3x6,6a]C[6,6,6a]C[4x6])(Si[6]C[6,6a]CC)(C[6a]C[6a,6a]H)	C[3x6,6a](C[4x6]C[6,6a]C[6,6]O[6,6])(C[6,6,6a]C[5,3x6]C[6a,6a])(C[6,6a]C[6a]Si[6]){1|H<1>,1|O<2>,2|C<4>,7|C<3>}	C[4x6](C[3x6,6a]C[6,6,6a]C[6,6a])(C[6,6]C[5,6,6]C[6a])(C[6,6a]C[6,6a]C[6a])(O[6,6]O[6,6]){2|Si<4>,1|C<4>,1|H<1>,6|C<3>}	C[6,6a](C[3x6,6a]C[6,6,6a]C[4x6])(Si[6]C[6,6a]CC)(C[6a]C[6a,6a]H){1|C<4>,1|O<2>,5|C<3>}	125.3040	0.000	1	125.3040	0.000	1	125.3040	0.000	1	125.3040	0.000	1	124.6426	0.276	5	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	3:3:4:	3:3:3:1:	3:3:3:	C[5,6,6a]-3:C[6,6,6a]-3:C[3x6]-4:	C[6,6,6a]-3:C[6,6,6a]-3:C[3x6]-3:Cl-1:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-3:	C[6,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[3x6]C[6,6,6a]C[3x6]Cl)	C[3x6](C[6,6,6a]C[5,6,6a]C[6,6,6a])2(C[3x6]C[5,6,6]2)(Cl)	C[6,6,6a](C[6,6,6a]C[6,6a,6a]C[5,6,6])(C[6,6,6a]C[5,6,6a]C[3x6])(C[5,6,6]C[5,6,6]2)	C[6,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[3x6]C[6,6,6a]C[3x6]Cl){1|Cl<1>,3|C<4>,6|C<3>}	C[3x6](C[6,6,6a]C[5,6,6a]C[6,6,6a])2(C[3x6]C[5,6,6]2)(Cl){4|C<4>,5|C<3>}	C[6,6,6a](C[6,6,6a]C[6,6a,6a]C[5,6,6])(C[6,6,6a]C[5,6,6a]C[3x6])(C[5,6,6]C[5,6,6]2){3|Cl<1>,4|C<3>,5|C<4>}	122.5610	0.000	1	122.5610	0.000	1	122.5610	0.000	1	122.5610	0.000	1	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	3:3:4:	3:3:3:1:	3:3:4:	C[6,6,6a]-3:C[6a]-3:C[3x6]-4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[6a]-3:C[3x6]-4:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[6a]C[5a,6a]C[5a])(C[3x6]C[6,6,6a]2H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[6a]C[5a,6a]C[5a])(C[3x6]C[6,6,6a]2H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[6a]C[5a,6a]C[5a])(C[3x6]C[6,6,6a]2H){1|H<1>,1|N<2>,1|S<2>,7|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,2|H<1>,7|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[6a]C[5a,6a]C[5a])(C[3x6]C[6,6,6a]2H){1|H<1>,1|N<2>,1|S<2>,7|C<3>}	111.9960	0.000	1	111.9960	0.000	1	112.0757	0.008	3	111.8378	0.166	5	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	3:3:4:	3:3:3:1:	3:3:4:	C[6,6,6a]-3:C[6a]-3:C[3x6]-4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[6a]-3:C[3x6]-4:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[6a]C[5a,6a]C[6a])(C[3x6]C[6,6,6a]2H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[6a]C[5a,6a]C[6a])(C[3x6]C[6,6,6a]2H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[6a]C[5a,6a]C[6a])(C[3x6]C[6,6,6a]2H){1|H<1>,1|N<2>,8|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,2|H<1>,7|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[6a]C[5a,6a]C[6a])(C[3x6]C[6,6,6a]2H){1|H<1>,1|N<2>,8|C<3>}	112.1155	0.076	2	112.1155	0.006	2	112.0757	0.008	3	111.8378	0.166	5	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	3:3:4:	3:3:3:1:	3:3:4:	C[6,6,6a]-3:C[6a]-3:C[3x6]-4:	C[6,6,6a]-3:C[6,6]-3:C[6,6]-3:H-1:	C[6,6,6a]-3:C[6a]-3:C[3x6]-4:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a,6a]C[5])(C[3x6]C[6,6]2H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C)(C[6,6]C[6,6]H)(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a,6a]C[5])(C[3x6]C[6,6]2H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a,6a]C[5])(C[3x6]C[6,6]2H){1|Fe<10>,2|H<1>,3|C<4>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C)(C[6,6]C[6,6]H)(H){1|H<1>,2|C<4>,3|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a,6a]C[5])(C[3x6]C[6,6]2H){1|Fe<10>,2|H<1>,3|C<4>,5|C<3>}	111.4810	0.475	2	111.4810	0.226	2	111.4810	0.226	2	111.8378	0.166	5	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	3:3:4:	3:3:3:1:	3:4:3:	C[5a,6a]-3:C[6,6,6a]-3:C[3x6]-4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a](C[5a,6a]C[5a,6a]O[5a])(C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)	C[3x6](C[6,6,6a]C[6,6,6a]C[5a,6a])2(C[6,6,6a]C[6,6,6a]C[6a])(H)	C[6,6,6a](C[6,6,6a]C[5a,6a]C[3x6])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[6,6,6a](C[5a,6a]C[5a,6a]O[5a])(C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H){2|H<1>,7|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[5a,6a])2(C[6,6,6a]C[6,6,6a]C[6a])(H){1|C<4>,1|H<1>,2|O<2>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[5a,6a]C[3x6])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|O<2>,2|H<1>,5|C<3>}	114.5170	0.181	4	114.5170	0.033	4	114.5170	0.033	4	114.5839	18.975	7	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	3:3:4:	3:3:3:1:	3:4:3:	C[6,6,6a]-3:C[5,6,6a]-3:C[3x6]-4:	C[6,6,6a]-3:C[6,6,6a]-3:C[3x6]-3:Cl-1:	C[6,6a,6a]-3:C[5,6,6]-4:C[6,6,6a]-3:	C[6,6,6a](C[6,6,6a]C[6,6a,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]C[5,5,6])(C[3x6]C[6,6,6a]C[3x6]Cl)	C[3x6](C[6,6,6a]C[5,6,6a]C[6,6,6a])2(C[3x6]C[5,6,6]2)(Cl)	C[6,6,6a](C[6,6a,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[6,6,6a]C[5,6,6a]C[3x6])	C[6,6,6a](C[6,6,6a]C[6,6a,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]C[5,5,6])(C[3x6]C[6,6,6a]C[3x6]Cl){2|Cl<1>,3|C<4>,6|C<3>}	C[3x6](C[6,6,6a]C[5,6,6a]C[6,6,6a])2(C[3x6]C[5,6,6]2)(Cl){4|C<4>,5|C<3>}	C[6,6,6a](C[6,6a,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[6,6,6a]C[5,6,6a]C[3x6]){2|Cl<1>,2|C<4>,7|C<3>}	123.2910	0.000	1	123.2910	0.000	1	123.2910	0.000	1	114.5839	18.975	7	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	3:3:4:	3:3:3:1:	3:4:3:	C[6,6,6a]-3:C[6a]-3:C[3x6]-4:	C[6,6,6a]-3:C[6,6]-3:C[6,6]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a,6a]C[6a])(C[3x6]C[6,6]2H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C)(C[6,6]C[6,6]H)(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a,6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a,6a]C[6a])(C[3x6]C[6,6]2H){3|H<1>,7|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C)(C[6,6]C[6,6]H)(H){1|C<4>,1|H<1>,4|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a,6a]H){2|H<1>,6|C<3>}	111.4380	0.000	1	111.4380	0.000	1	111.4380	0.000	1	114.5839	18.975	7	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	3:3:4:	3:3:3:1:	3:4:3:	C[6a,6a]-3:C[6,6,6a]-3:C[3x6]-4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a,6a])(C[6,6,6a]C[6,6,6a]C[6a])2(H)	C[6,6,6a](C[6,6,6a]C[6a,6a]C[3x6])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a,6a]H)	C[6,6,6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H){2|H<1>,8|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a,6a])(C[6,6,6a]C[6,6,6a]C[6a])2(H){1|C<4>,2|H<1>,7|C<3>}	C[6,6,6a](C[6,6,6a]C[6a,6a]C[3x6])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a,6a]H){1|H<1>,7|C<3>}	109.2900	0.000	1	109.2900	0.000	1	109.2900	0.000	1	114.5839	18.975	7	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	3:3:4:	3:4:4:1:	3:3:4:	C[6,6,6a]-3:C[5,6a]-3:C[3x6]-4:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-4:H-1:	C[6,6,6a]-3:C[6,6,6a]-3:C[3x6]-4:	C[6,6,6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[5,6a]C[5,6a]2)(C[3x6]C[6,6]2H)	C[3x6](C[6,6,6a]C[6,6,6a]C[5,6a])(C[6,6]C[6,6]HH)2(H)	C[6,6,6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6,6,6a]C[5,6a]C[3x6])(C[3x6]C[6,6]2H)	C[6,6,6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[5,6a]C[5,6a]2)(C[3x6]C[6,6]2H){3|C<3>,4|C<4>,5|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[5,6a])(C[6,6]C[6,6]HH)2(H){1|C<4>,3|C<3>,4|H<1>}	C[6,6,6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6,6,6a]C[5,6a]C[3x6])(C[3x6]C[6,6]2H){2|C<3>,5|C<4>,6|H<1>}	111.5803	0.755	6	111.5803	0.570	6	112.6453	1.640	12	112.8394	1.144	41	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	3:3:4:	3:4:4:1:	3:3:4:	C[6,6,6a]-3:C[5,6a]-3:C[3x6]-4:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-4:H-1:	C[6,6,6a]-3:C[6,6,6a]-3:C[3x6]-4:	C[6,6,6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[5,6a]C[5,6a]C[5])(C[3x6]C[6,6]2H)	C[3x6](C[6,6,6a]C[6,6,6a]C[5,6a])(C[6,6]C[6,6]HH)2(H)	C[6,6,6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6,6,6a]C[5,6a]C[3x6])(C[3x6]C[6,6]2H)	C[6,6,6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[5,6a]C[5,6a]C[5])(C[3x6]C[6,6]2H){3|C<3>,3|C<4>,7|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[5,6a])(C[6,6]C[6,6]HH)2(H){2|C<3>,2|C<4>,4|H<1>}	C[6,6,6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6,6,6a]C[5,6a]C[3x6])(C[3x6]C[6,6]2H){1|C<3>,6|C<4>,6|H<1>}	113.7103	0.563	6	113.7103	0.316	6	112.6453	1.640	12	112.8394	1.144	41	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	3:3:4:	3:4:4:1:	3:3:4:	C[6,6,6a]-3:C[5a,6a]-3:C[3x6]-4:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-4:H-1:	C[6,6,6a]-3:C[6,6,6a]-3:C[3x6]-4:	C[6,6,6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[5a,6a]C[5a,6a]2)(C[3x6]C[6,6]2H)	C[3x6](C[6,6,6a]C[6,6,6a]C[5a,6a])(C[6,6]C[6,6]HH)2(H)	C[6,6,6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6,6,6a]C[5a,6a]C[3x6])(C[3x6]C[6,6]2H)	C[6,6,6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[5a,6a]C[5a,6a]2)(C[3x6]C[6,6]2H){1|S<2>,3|C<3>,3|C<4>,5|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[5a,6a])(C[6,6]C[6,6]HH)2(H){1|C<4>,3|C<3>,4|H<1>}	C[6,6,6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6,6,6a]C[5a,6a]C[3x6])(C[3x6]C[6,6]2H){2|C<3>,5|C<4>,6|H<1>}	112.5385	1.059	2	112.5385	1.121	2	113.1308	3.173	6	112.8394	1.144	41	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	3:3:4:	3:4:4:1:	3:3:4:	C[6,6,6a]-3:C[5a,6a]-3:C[3x6]-4:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-4:H-1:	C[6,6,6a]-3:C[6,6,6a]-3:C[3x6]-4:	C[6,6,6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[5a,6a]C[5a,6a]C[5a,6])(C[3x6]C[6,6]2H)	C[3x6](C[6,6,6a]C[6,6,6a]C[5a,6a])(C[6,6]C[6,6]HH)2(H)	C[6,6,6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6,6,6a]C[5a,6a]C[3x6])(C[3x6]C[6,6]2H)	C[6,6,6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[5a,6a]C[5a,6a]C[5a,6])(C[3x6]C[6,6]2H){1|S<2>,3|C<3>,3|C<4>,5|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[5a,6a])(C[6,6]C[6,6]HH)2(H){1|C<4>,3|C<3>,4|H<1>}	C[6,6,6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6,6,6a]C[5a,6a]C[3x6])(C[3x6]C[6,6]2H){2|C<3>,5|C<4>,6|H<1>}	110.4480	0.000	1	110.4480	0.000	1	113.1308	3.173	6	112.8394	1.144	41	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	3:3:4:	3:4:4:1:	3:3:4:	C[6,6,6a]-3:C[5a,6a]-3:C[3x6]-4:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-4:H-1:	C[6,6,6a]-3:C[6,6,6a]-3:C[3x6]-4:	C[6,6,6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[5a,6a]C[5a,6a]S[5a])(C[3x6]C[6,6]2H)	C[3x6](C[6,6,6a]C[6,6,6a]C[5a,6a])(C[6,6]C[6,6]HH)2(H)	C[6,6,6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6,6,6a]C[5a,6a]C[3x6])(C[3x6]C[6,6]2H)	C[6,6,6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[5a,6a]C[5a,6a]S[5a])(C[3x6]C[6,6]2H){3|C<3>,3|C<4>,5|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[5a,6a])(C[6,6]C[6,6]HH)2(H){1|C<4>,1|S<2>,2|C<3>,4|H<1>}	C[6,6,6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6,6,6a]C[5a,6a]C[3x6])(C[3x6]C[6,6]2H){1|C<3>,1|S<2>,5|C<4>,6|H<1>}	114.4200	0.964	3	114.4200	0.930	3	113.1308	3.173	6	112.8394	1.144	41	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	3:3:4:	3:4:4:1:	3:3:4:	C[6,6,6a]-3:C[6,6,6a]-3:C[3x6]-4:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-4:H-1:	C[6,6,6a]-3:C[5,6a]-3:C[3x6]-4:	C[6,6,6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6,6,6a]C[5,6a]C[3x6])(C[3x6]C[6,6]2H)	C[3x6](C[6,6,6a]C[6,6,6a]2)(C[6,6]C[6,6]HH)2(H)	C[6,6,6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[5,6a]C[5,6a]2)(C[3x6]C[6,6]2H)	C[6,6,6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6,6,6a]C[5,6a]C[3x6])(C[3x6]C[6,6]2H){2|C<3>,5|C<4>,6|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]2)(C[6,6]C[6,6]HH)2(H){2|C<3>,2|C<4>,4|H<1>}	C[6,6,6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[5,6a]C[5,6a]2)(C[3x6]C[6,6]2H){3|C<3>,4|C<4>,5|H<1>}	113.5853	0.417	6	113.5853	0.174	6	112.9882	0.581	12	112.8394	1.144	41	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	3:3:4:	3:4:4:1:	3:3:4:	C[6,6,6a]-3:C[6,6,6a]-3:C[3x6]-4:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-4:H-1:	C[6,6,6a]-3:C[5,6a]-3:C[3x6]-4:	C[6,6,6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6,6,6a]C[5,6a]C[3x6])(C[3x6]C[6,6]2H)	C[3x6](C[6,6,6a]C[6,6,6a]2)(C[6,6]C[6,6]HH)2(H)	C[6,6,6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[5,6a]C[5,6a]C[5])(C[3x6]C[6,6]2H)	C[6,6,6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6,6,6a]C[5,6a]C[3x6])(C[3x6]C[6,6]2H){1|C<3>,6|C<4>,6|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]2)(C[6,6]C[6,6]HH)2(H){2|C<3>,2|C<4>,4|H<1>}	C[6,6,6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[5,6a]C[5,6a]C[5])(C[3x6]C[6,6]2H){3|C<3>,3|C<4>,7|H<1>}	112.3910	0.499	6	112.3910	0.249	6	112.9882	0.581	12	112.8394	1.144	41	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	3:3:4:	3:4:4:1:	3:3:4:	C[6,6,6a]-3:C[6,6,6a]-3:C[3x6]-4:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-4:H-1:	C[6,6,6a]-3:C[5a,6a]-3:C[3x6]-4:	C[6,6,6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6,6,6a]C[5a,6a]C[3x6])(C[3x6]C[6,6]2H)	C[3x6](C[6,6,6a]C[6,6,6a]2)(C[6,6]C[6,6]HH)2(H)	C[6,6,6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[5a,6a]C[5a,6a]2)(C[3x6]C[6,6]2H)	C[6,6,6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6,6,6a]C[5a,6a]C[3x6])(C[3x6]C[6,6]2H){2|C<3>,5|C<4>,6|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]2)(C[6,6]C[6,6]HH)2(H){2|C<3>,2|C<4>,4|H<1>}	C[6,6,6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[5a,6a]C[5a,6a]2)(C[3x6]C[6,6]2H){1|S<2>,3|C<3>,3|C<4>,5|H<1>}	112.9320	0.745	2	112.9320	0.555	2	112.5135	0.587	6	112.8394	1.144	41	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	3:3:4:	3:4:4:1:	3:3:4:	C[6,6,6a]-3:C[6,6,6a]-3:C[3x6]-4:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-4:H-1:	C[6,6,6a]-3:C[5a,6a]-3:C[3x6]-4:	C[6,6,6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6,6,6a]C[5a,6a]C[3x6])(C[3x6]C[6,6]2H)	C[3x6](C[6,6,6a]C[6,6,6a]2)(C[6,6]C[6,6]HH)2(H)	C[6,6,6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[5a,6a]C[5a,6a]C[5a,6])(C[3x6]C[6,6]2H)	C[6,6,6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6,6,6a]C[5a,6a]C[3x6])(C[3x6]C[6,6]2H){2|C<3>,5|C<4>,6|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]2)(C[6,6]C[6,6]HH)2(H){2|C<3>,2|C<4>,4|H<1>}	C[6,6,6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[5a,6a]C[5a,6a]C[5a,6])(C[3x6]C[6,6]2H){1|S<2>,3|C<3>,3|C<4>,5|H<1>}	113.1830	0.000	1	113.1830	0.000	1	112.5135	0.587	6	112.8394	1.144	41	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	3:3:4:	3:4:4:1:	3:3:4:	C[6,6,6a]-3:C[6,6,6a]-3:C[3x6]-4:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-4:H-1:	C[6,6,6a]-3:C[5a,6a]-3:C[3x6]-4:	C[6,6,6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6,6,6a]C[5a,6a]C[3x6])(C[3x6]C[6,6]2H)	C[3x6](C[6,6,6a]C[6,6,6a]2)(C[6,6]C[6,6]HH)2(H)	C[6,6,6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[5a,6a]C[5a,6a]S[5a])(C[3x6]C[6,6]2H)	C[6,6,6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6,6,6a]C[5a,6a]C[3x6])(C[3x6]C[6,6]2H){1|C<3>,1|S<2>,5|C<4>,6|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]2)(C[6,6]C[6,6]HH)2(H){2|C<3>,2|C<4>,4|H<1>}	C[6,6,6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[5a,6a]C[5a,6a]S[5a])(C[3x6]C[6,6]2H){3|C<3>,3|C<4>,5|H<1>}	112.0113	0.643	3	112.0113	0.413	3	112.5135	0.587	6	112.8394	1.144	41	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	3:3:4:	3:4:4:1:	3:3:4:	C[6,6,6a]-3:C[6,6,6a]-3:C[3x6]-4:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-4:H-1:	C[6,6,6a]-3:C[6,6,6a]-3:C[3x6]-4:	C[6,6,6a](C[6,6,6a]C[6,6,6a]C[3x6])2(C[3x6]C[6,6]2H)	C[3x6](C[6,6,6a]C[6,6,6a]2)(C[6,6]C[6,6]HH)2(H)	C[6,6,6a](C[6,6,6a]C[6,6,6a]C[3x6])2(C[3x6]C[6,6]2H)	C[6,6,6a](C[6,6,6a]C[6,6,6a]C[3x6])2(C[3x6]C[6,6]2H){1|C<3>,6|C<4>,6|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]2)(C[6,6]C[6,6]HH)2(H){2|C<3>,2|C<4>,4|H<1>}	C[6,6,6a](C[6,6,6a]C[6,6,6a]C[3x6])2(C[3x6]C[6,6]2H){1|C<3>,6|C<4>,6|H<1>}	112.9898	0.369	5	112.9898	0.136	5	112.9898	0.136	5	112.8394	1.144	41	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	3:4:2:	3:3:3:1:	3:4:2:	C[6,6,6a]-3:C[3x6]-4:N[6a]-2:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:N[6a]-2:	C[6,6,6a](C[6,6,6a]C[3x6]N[6a])(C[3x6]C[6,6,6a]2H)(N[6a]C[6a,6a])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6,6a]C[6,6,6a]N[6a])(H)	C[6,6,6a](C[6,6,6a]C[3x6]N[6a])(C[3x6]C[6,6,6a]2H)(N[6a]C[6a,6a])	C[6,6,6a](C[6,6,6a]C[3x6]N[6a])(C[3x6]C[6,6,6a]2H)(N[6a]C[6a,6a]){1|H<1>,6|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6,6a]C[6,6,6a]N[6a])(H){1|C<4>,1|N<2>,2|H<1>,5|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]N[6a])(C[3x6]C[6,6,6a]2H)(N[6a]C[6a,6a]){1|H<1>,6|C<3>}	112.7396	0.196	5	112.7396	0.038	5	112.9326	0.195	7	112.9326	0.195	7	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	3:4:2:	3:3:3:1:	3:4:2:	C[6,6,6a]-3:C[3x6]-4:N[6a]-2:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:N[6a]-2:	C[6,6,6a](C[6,6,6a]C[3x6]N[6a])(C[3x6]C[6,6,6a]2H)(N[6a]C[6a])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6,6a]C[6,6,6a]N[6a])(H)	C[6,6,6a](C[6,6,6a]C[3x6]N[6a])(C[3x6]C[6,6,6a]2H)(N[6a]C[6a])	C[6,6,6a](C[6,6,6a]C[3x6]N[6a])(C[3x6]C[6,6,6a]2H)(N[6a]C[6a]){1|C<2>,1|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6,6a]C[6,6,6a]N[6a])(H){1|C<4>,1|N<2>,2|H<1>,5|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]N[6a])(C[3x6]C[6,6,6a]2H)(N[6a]C[6a]){1|C<2>,1|H<1>,5|C<3>}	113.4150	0.605	2	113.4150	0.366	2	112.9326	0.195	7	112.9326	0.195	7	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	3:4:3:	3:3:3:1:	3:3:3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:N[3x6]-3:C[6a]-3:	C[6,6,6a](C[6,6,6a]N[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(N[3x6]C[6,6,6a]2)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]N[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|N<3>,3|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(N[3x6]C[6,6,6a]2)(C[6a]C[6a]H){3|H<1>,5|C<3>}	114.1420	0.000	1	114.1420	0.000	1	114.1420	0.000	1	114.7925	0.846	2	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	3:4:3:	3:3:3:1:	3:3:3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6]-3:C[6,6]-3:H-1:	C[6,6,6a]-3:P[3x6]-3:C[6a]-3:	C[6,6,6a](C[6,6,6a]P[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C)2(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(P[3x6]C[6,6]2)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]P[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C)2(H){2|Si<4>,1|H<1>,1|P<3>,2|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(P[3x6]C[6,6]2)(C[6a]C[6a]H){2|Si<4>,3|C<3>,3|H<1>}	115.4430	0.000	1	115.4430	0.000	1	115.4430	0.000	1	114.7925	0.846	2	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	3:4:3:	3:3:3:1:	3:3:4:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[5a,6a]-3:C[6,6,6a]-3:C[3x6]-4:	C[6,6,6a](C[6,6,6a]C[5a,6a]C[3x6])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[5a,6a]C[5a,6a]O[5a])(C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)	C[6,6,6a](C[6,6,6a]C[5a,6a]C[3x6])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|O<2>,2|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,3|H<1>,6|C<3>}	C[6,6,6a](C[5a,6a]C[5a,6a]O[5a])(C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H){2|H<1>,7|C<3>}	112.2100	0.080	4	112.2100	0.006	4	112.2100	0.006	4	112.4600	0.643	6	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	3:4:3:	3:3:3:1:	3:3:4:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6a,6a]-3:C[6,6,6a]-3:C[3x6]-4:	C[6,6,6a](C[6,6,6a]C[6a,6a]C[3x6])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a,6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a,6a])(C[6,6,6a]C[6,6,6a]C[6a])2(H)	C[6,6,6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)	C[6,6,6a](C[6,6,6a]C[6a,6a]C[3x6])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a,6a]H){1|H<1>,7|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a,6a])(C[6,6,6a]C[6,6,6a]C[6a])2(H){1|C<4>,2|H<1>,7|C<3>}	C[6,6,6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H){2|H<1>,8|C<3>}	114.0660	0.000	1	114.0660	0.000	1	114.0660	0.000	1	112.4600	0.643	6	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	3:4:3:	3:3:3:1:	3:3:4:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6]-3:C[6,6]-3:H-1:	C[6,6,6a]-3:C[6a]-3:C[3x6]-4:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a,6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C)(C[6,6]C[6,6]H)(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a,6a]C[6a])(C[3x6]C[6,6]2H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a,6a]H){2|H<1>,6|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C)(C[6,6]C[6,6]H)(H){1|C<4>,2|H<1>,3|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a,6a]C[6a])(C[3x6]C[6,6]2H){3|H<1>,7|C<3>}	111.8540	0.000	1	111.8540	0.000	1	111.8540	0.000	1	112.4600	0.643	6	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	3:4:3:	3:3:3:1:	3:4:3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[3x6]-3:C[3x6]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[3x6]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]C[3x6]C[6])2(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[3x6]2H)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[3x6]2H)(C[6a]C[6a]H){1|O<2>,2|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]C[3x6]C[6])2(H){1|C<4>,3|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[3x6]2H)(C[6a]C[6a]H){1|O<2>,2|H<1>,5|C<3>}	113.8130	0.378	2	113.8130	0.143	2	113.8130	0.143	2	113.2167	0.577	853	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	3:4:3:	3:3:3:1:	3:4:3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:Br-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2Br)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(Br)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2Br)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2Br)(C[6a]C[6a]H){1|Br<1>,2|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(Br){1|C<4>,3|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2Br)(C[6a]C[6a]H){1|Br<1>,2|H<1>,5|C<3>}	112.4252	0.759	6	112.4252	0.576	6	112.4252	0.576	6	113.2167	0.577	853	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	3:4:3:	3:3:3:1:	3:4:3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[5a,6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[5a,6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[5a,6a]H){1|N<2>,2|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,2|H<1>,7|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[5a,6a]H){1|N<2>,2|H<1>,5|C<3>}	112.2867	0.435	6	112.5031	0.184	26	113.1589	0.348	822	113.2167	0.577	853	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	3:4:3:	3:3:3:1:	3:4:3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[5a,6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[5a,6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[5a,6a]H){1|N<2>,2|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,3|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[5a,6a]H){1|N<2>,2|H<1>,5|C<3>}	112.5119	0.311	14	112.5031	0.184	26	113.1589	0.348	822	113.2167	0.577	853	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	3:4:3:	3:3:3:1:	3:4:3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[5a,6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[5a,6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[5a,6a]H){1|N<2>,2|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,3|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[5a,6a]H){1|N<3>,2|H<1>,5|C<3>}	113.2607	0.013	3	112.5031	0.184	26	113.1589	0.348	822	113.2167	0.577	853	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	3:4:3:	3:3:3:1:	3:4:3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[5a,6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[5a,6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[5a,6a]H){1|N<3>,2|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,3|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[5a,6a]H){1|N<2>,2|H<1>,5|C<3>}	112.1377	0.013	3	112.5031	0.184	26	113.1589	0.348	822	113.2167	0.577	853	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	3:4:3:	3:3:3:1:	3:4:3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[5a]C[6a])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[5a]C[6a]){1|N<2>,1|S<2>,3|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,2|H<1>,7|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){2|H<1>,6|C<3>}	112.3920	0.000	1	112.3920	0.000	1	113.1589	0.348	822	113.2167	0.577	853	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	3:4:3:	3:3:3:1:	3:4:3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6,6,6a]C)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6,6,6a]C)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6,6,6a]C){1|C<4>,1|H<1>,6|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,2|H<1>,7|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6,6,6a]C){1|C<4>,1|H<1>,6|C<3>}	112.8918	0.518	6	112.8918	0.269	6	113.1589	0.348	822	113.2167	0.577	853	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	3:4:3:	3:3:3:1:	3:4:3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6,6,6a]C)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6,6,6a]N)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6,6,6a]C){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<2>,1|C<4>,2|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6,6,6a]N){1|C<2>,1|C<4>,1|H<1>,5|C<3>}	113.7357	0.072	4	113.7357	0.005	4	113.1589	0.348	822	113.2167	0.577	853	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	3:4:3:	3:3:3:1:	3:4:3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6,6,6a]C)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6,6,6a]O)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6,6,6a]C){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<2>,1|C<4>,2|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6,6,6a]O){1|C<2>,1|C<4>,1|H<1>,5|C<3>}	113.3610	0.158	4	113.3610	0.025	4	113.1589	0.348	822	113.2167	0.577	853	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	3:4:3:	3:3:3:1:	3:4:3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6,6,6a]N)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6,6,6a]C)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6,6,6a]N){1|C<2>,1|C<4>,1|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,1|N<3>,2|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6,6,6a]C){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	112.2583	0.367	4	112.2583	0.134	4	113.1589	0.348	822	113.2167	0.577	853	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	3:4:3:	3:3:3:1:	3:4:3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6,6,6a]N)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6,6,6a]O)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6,6,6a]N){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,1|N<3>,2|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6,6,6a]O){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	112.7980	0.793	2	112.7980	0.629	2	113.1589	0.348	822	113.2167	0.577	853	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	3:4:3:	3:3:3:1:	3:4:3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6,6,6a]O)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6,6,6a]C)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6,6,6a]O){1|C<2>,1|C<4>,1|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,1|O<2>,2|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6,6,6a]C){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	112.8083	0.204	4	112.8083	0.042	4	113.1589	0.348	822	113.2167	0.577	853	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	3:4:3:	3:3:3:1:	3:4:3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6,6,6a]O)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6,6,6a]N)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6,6,6a]O){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,1|O<2>,2|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6,6,6a]N){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	113.8330	1.134	2	113.8330	1.286	2	113.1589	0.348	822	113.2167	0.577	853	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	3:4:3:	3:3:3:1:	3:4:3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6,6,6a]O)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6,6,6a]O)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6,6,6a]O){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,1|O<2>,2|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6,6,6a]O){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	113.1718	0.420	6	113.1718	0.176	6	113.1589	0.348	822	113.2167	0.577	853	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	3:4:3:	3:3:3:1:	3:4:3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6,6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6,6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6,6a]H){1|N<2>,2|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,3|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6,6a]H){1|N<3>,2|H<1>,5|C<3>}	112.9560	0.000	1	112.6835	0.149	2	113.1589	0.348	822	113.2167	0.577	853	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	3:4:3:	3:3:3:1:	3:4:3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6,6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6,6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6,6a]H){1|N<3>,2|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,3|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6,6a]H){1|N<2>,2|H<1>,5|C<3>}	112.4110	0.000	1	112.6835	0.149	2	113.1589	0.348	822	113.2167	0.577	853	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	3:4:3:	3:3:3:1:	3:4:3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6,6a]O)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6,6a]O)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6,6a]O){1|H<1>,1|O<2>,6|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,1|O<2>,2|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6,6a]O){1|H<1>,1|O<2>,6|C<3>}	113.7240	0.288	2	113.7240	0.083	2	113.1589	0.348	822	113.2167	0.577	853	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	3:4:3:	3:3:3:1:	3:4:3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a,6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a,6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a,6a]H){1|N<2>,2|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,3|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a,6a]H){1|N<2>,2|H<1>,5|C<3>}	112.6635	0.366	14	112.6736	0.122	32	113.1589	0.348	822	113.2167	0.577	853	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	3:4:3:	3:3:3:1:	3:4:3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a,6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a,6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a,6a]H){2|H<1>,6|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,3|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a,6a]H){2|H<1>,6|C<3>}	112.6815	0.345	18	112.6736	0.122	32	113.1589	0.348	822	113.2167	0.577	853	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	3:4:3:	3:3:3:1:	3:4:3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a,6a]O)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a,6a]O)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a,6a]O){1|H<1>,1|O<2>,6|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,1|O<2>,2|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a,6a]O){1|H<1>,1|O<2>,6|C<3>}	112.5035	0.504	2	112.5035	0.254	2	113.1589	0.348	822	113.2167	0.577	853	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	3:4:3:	3:3:3:1:	3:4:3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]2)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]2)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]2){2|H<1>,8|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,2|H<1>,7|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]2){2|H<1>,8|C<3>}	112.5498	0.411	6	112.5498	0.169	6	113.1589	0.348	822	113.2167	0.577	853	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	3:4:3:	3:3:3:1:	3:4:3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]Br)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]Br){1|O<2>,2|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|Br<1>,1|C<4>,2|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|H<1>,5|C<3>}	112.8525	0.602	6	112.8525	0.362	6	113.1589	0.348	822	113.2167	0.577	853	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	3:4:3:	3:3:3:1:	3:4:3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]C)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]C)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]C){1|H<1>,2|C<4>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){2|C<4>,2|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]C){1|C<4>,2|H<1>,5|C<3>}	113.5770	0.000	1	113.5770	0.000	1	113.1589	0.348	822	113.2167	0.577	853	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	3:4:3:	3:3:3:1:	3:4:3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]C)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2Ge)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]C){1|Ge<4>,2|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){2|C<4>,2|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2Ge)(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	112.6360	0.000	1	112.6360	0.000	1	113.1589	0.348	822	113.2167	0.577	853	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	3:4:3:	3:3:3:1:	3:4:3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]C)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]C)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]C){1|H<1>,2|C<4>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|H<1>,3|C<4>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]C){1|H<1>,2|C<4>,5|C<3>}	112.3915	0.436	4	112.3915	0.190	4	113.1589	0.348	822	113.2167	0.577	853	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	3:4:3:	3:3:3:1:	3:4:3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]C)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]C){3|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){4|C<4>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	112.6113	0.223	3	112.6113	0.050	3	113.1589	0.348	822	113.2167	0.577	853	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	3:4:3:	3:3:3:1:	3:4:3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]C)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]N)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]C){1|N<3>,2|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<2>,1|C<4>,2|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]N){1|C<2>,2|H<1>,5|C<3>}	113.6540	0.498	2	113.6540	0.248	2	113.1589	0.348	822	113.2167	0.577	853	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	3:4:3:	3:3:3:1:	3:4:3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]C[5])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]C[5]){1|Ir<6>,2|H<1>,2|N<3>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,2|H<1>,7|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){2|H<1>,6|C<3>}	112.0595	0.018	2	112.0595	0.000	2	113.1589	0.348	822	113.2167	0.577	853	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	3:4:3:	3:3:3:1:	3:4:3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]Cl)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2Si)(C[6a]C[6a]Cl)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]Cl){1|Cl<1>,1|Si<4>,1|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|Cl<1>,1|C<4>,2|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2Si)(C[6a]C[6a]Cl){1|Cl<1>,2|H<1>,5|C<3>}	114.1290	0.000	1	114.1290	0.000	1	113.1589	0.348	822	113.2167	0.577	853	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	3:4:3:	3:3:3:1:	3:4:3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[5a,6a])2(C[6,6,6a]C[6,6,6a]C[6a])(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[5a,6a])2(C[6,6,6a]C[6,6,6a]C[6a])(H){1|C<4>,1|H<1>,2|O<2>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){3|H<1>,5|C<3>}	113.1045	0.585	2	113.1045	0.342	2	113.1589	0.348	822	113.2167	0.577	853	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	3:4:3:	3:3:3:1:	3:4:3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a,6a])(C[6,6,6a]C[6,6,6a]C[6a])2(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a,6a])(C[6,6,6a]C[6,6,6a]C[6a])2(H){1|C<4>,2|H<1>,7|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){3|H<1>,5|C<3>}	113.7200	0.000	1	113.7200	0.000	1	113.1589	0.348	822	113.2167	0.577	853	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	3:4:3:	3:3:3:1:	3:4:3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6,6a]C[6,6,6a]N[6a])(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|N<2>,1|N<3>,2|H<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6,6a]C[6,6,6a]N[6a])(H){1|C<4>,1|N<2>,2|H<1>,5|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|N<2>,3|H<1>,4|C<3>}	113.4117	0.351	7	113.4040	0.094	14	113.1589	0.348	822	113.2167	0.577	853	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	3:4:3:	3:3:3:1:	3:4:3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6,6a]C[6,6,6a]N[6a])(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|N<2>,3|H<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6,6a]C[6,6,6a]N[6a])(H){1|C<4>,1|N<2>,2|H<1>,5|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|N<2>,1|N<3>,2|H<1>,4|C<3>}	113.3963	0.282	7	113.4040	0.094	14	113.1589	0.348	822	113.2167	0.577	853	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	3:4:3:	3:3:3:1:	3:4:3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]Br)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){2|C<4>,2|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]Br){3|H<1>,5|C<3>}	113.9570	0.000	1	113.9570	0.000	1	113.1589	0.348	822	113.2167	0.577	853	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	3:4:3:	3:3:3:1:	3:4:3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|C<2>,2|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,3|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]H){3|H<1>,5|C<3>}	113.5382	0.204	28	113.6394	0.215	78	113.1589	0.348	822	113.2167	0.577	853	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	3:4:3:	3:3:3:1:	3:4:3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|C<4>,1|H<1>,6|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,3|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	113.7767	0.540	36	113.6394	0.215	78	113.1589	0.348	822	113.2167	0.577	853	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	3:4:3:	3:3:3:1:	3:4:3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,1|O<2>,2|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]H){3|H<1>,5|C<3>}	113.4060	0.105	2	113.6394	0.215	78	113.1589	0.348	822	113.2167	0.577	853	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	3:4:3:	3:3:3:1:	3:4:3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,3|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]H){1|N<3>,2|H<1>,5|C<3>}	113.5587	0.229	3	113.6394	0.215	78	113.1589	0.348	822	113.2167	0.577	853	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	3:4:3:	3:3:3:1:	3:4:3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,3|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]H){3|H<1>,5|C<3>}	113.2655	0.220	2	113.6394	0.215	78	113.1589	0.348	822	113.2167	0.577	853	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	3:4:3:	3:3:3:1:	3:4:3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){2|C<4>,2|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]H){3|H<1>,5|C<3>}	111.8760	0.000	1	113.6394	0.215	78	113.1589	0.348	822	113.2167	0.577	853	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	3:4:3:	3:3:3:1:	3:4:3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,3|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]H){1|N<3>,2|H<1>,5|C<3>}	113.8245	0.265	6	113.6394	0.215	78	113.1589	0.348	822	113.2167	0.577	853	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	3:4:3:	3:3:3:1:	3:4:3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2Ge)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|Ge<4>,2|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,3|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2Ge)(C[6a]C[6a]H){3|H<1>,5|C<3>}	113.2223	0.407	12	113.3601	0.263	14	113.1589	0.348	822	113.2167	0.577	853	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	3:4:3:	3:3:3:1:	3:4:3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2Ge)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|Ge<4>,2|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){2|C<4>,2|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2Ge)(C[6a]C[6a]H){3|H<1>,5|C<3>}	114.1870	0.054	2	113.3601	0.263	14	113.1589	0.348	822	113.2167	0.577	853	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	3:4:3:	3:3:3:1:	3:4:3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[5a]C[6a])	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,3|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[5a]C[6a]){1|N<2>,1|S<2>,3|H<1>,5|C<3>}	113.3900	0.000	1	113.3900	0.000	1	113.1589	0.348	822	113.2167	0.577	853	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	3:4:3:	3:3:3:1:	3:4:3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]Br)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|Br<1>,1|C<4>,2|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]Br){1|O<2>,2|H<1>,5|C<3>}	112.9100	0.329	6	112.9100	0.109	6	113.1589	0.348	822	113.2167	0.577	853	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	3:4:3:	3:3:3:1:	3:4:3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]C)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,3|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]C){3|H<1>,5|C<3>}	112.9253	0.227	3	112.9253	0.051	3	113.1589	0.348	822	113.2167	0.577	853	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	3:4:3:	3:3:3:1:	3:4:3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]C[5])	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,3|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]C[5]){1|Ir<6>,2|H<1>,2|N<3>,5|C<3>}	113.7295	0.069	2	113.7295	0.005	2	113.1589	0.348	822	113.2167	0.577	853	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	3:4:3:	3:3:3:1:	3:4:3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|Br<1>,2|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,3|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|Br<1>,2|H<1>,5|C<3>}	113.2415	0.250	11	113.0992	0.210	413	113.1589	0.348	822	113.2167	0.577	853	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	3:4:3:	3:3:3:1:	3:4:3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|C<2>,2|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,3|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){3|H<1>,5|C<3>}	113.3007	0.199	3	113.0992	0.210	413	113.1589	0.348	822	113.2167	0.577	853	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	3:4:3:	3:3:3:1:	3:4:3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,3|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|O<2>,2|H<1>,5|C<3>}	112.8920	0.244	4	113.0992	0.210	413	113.1589	0.348	822	113.2167	0.577	853	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	3:4:3:	3:3:3:1:	3:4:3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|N<3>,2|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,3|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|N<3>,2|H<1>,5|C<3>}	113.5844	0.322	5	113.0992	0.210	413	113.1589	0.348	822	113.2167	0.577	853	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	3:4:3:	3:3:3:1:	3:4:3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|N<3>,2|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,3|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){3|H<1>,5|C<3>}	113.3080	0.407	32	113.0992	0.210	413	113.1589	0.348	822	113.2167	0.577	853	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	3:4:3:	3:3:3:1:	3:4:3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|O<2>,2|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,1|O<2>,2|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|O<2>,2|H<1>,5|C<3>}	113.2705	0.957	2	113.0992	0.210	413	113.1589	0.348	822	113.2167	0.577	853	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	3:4:3:	3:3:3:1:	3:4:3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|O<2>,2|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,3|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	113.3425	0.162	4	113.0992	0.210	413	113.1589	0.348	822	113.2167	0.577	853	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	3:4:3:	3:3:3:1:	3:4:3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|O<2>,2|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,3|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){3|H<1>,5|C<3>}	113.1162	0.395	22	113.0992	0.210	413	113.1589	0.348	822	113.2167	0.577	853	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	3:4:3:	3:3:3:1:	3:4:3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|Pt<4>,2|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,3|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){3|H<1>,5|C<3>}	113.8430	0.580	4	113.0992	0.210	413	113.1589	0.348	822	113.2167	0.577	853	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	3:4:3:	3:3:3:1:	3:4:3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,3|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){2|H<1>,6|C<3>}	113.2550	0.248	6	113.0992	0.210	413	113.1589	0.348	822	113.2167	0.577	853	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	3:4:3:	3:3:3:1:	3:4:3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,3|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){3|H<1>,5|C<3>}	112.8900	0.201	2	113.0992	0.210	413	113.1589	0.348	822	113.2167	0.577	853	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	3:4:3:	3:3:3:1:	3:4:3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|Br<1>,1|C<4>,2|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){3|H<1>,5|C<3>}	113.0468	0.863	6	113.0992	0.210	413	113.1589	0.348	822	113.2167	0.577	853	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	3:4:3:	3:3:3:1:	3:4:3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<2>,1|C<4>,2|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){3|H<1>,5|C<3>}	112.9347	0.282	20	113.0992	0.210	413	113.1589	0.348	822	113.2167	0.577	853	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	3:4:3:	3:3:3:1:	3:4:3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,1|H<1>,2|O<2>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){3|H<1>,5|C<3>}	112.5875	1.056	4	113.0992	0.210	413	113.1589	0.348	822	113.2167	0.577	853	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	3:4:3:	3:3:3:1:	3:4:3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,1|H<1>,2|P<3>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){3|H<1>,5|C<3>}	113.6010	0.000	1	113.0992	0.210	413	113.1589	0.348	822	113.2167	0.577	853	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	3:4:3:	3:3:3:1:	3:4:3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,1|H<1>,2|P<4>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){3|H<1>,5|C<3>}	113.4082	0.822	4	113.0992	0.210	413	113.1589	0.348	822	113.2167	0.577	853	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	3:4:3:	3:3:3:1:	3:4:3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,1|N<2>,1|O<2>,2|H<1>,5|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){3|H<1>,5|C<3>}	113.2325	0.174	4	113.0992	0.210	413	113.1589	0.348	822	113.2167	0.577	853	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	3:4:3:	3:3:3:1:	3:4:3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,1|N<2>,2|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){3|H<1>,5|C<3>}	113.3524	0.294	8	113.0992	0.210	413	113.1589	0.348	822	113.2167	0.577	853	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	3:4:3:	3:3:3:1:	3:4:3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,1|N<3>,2|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){3|H<1>,5|C<3>}	113.0946	0.447	18	113.0992	0.210	413	113.1589	0.348	822	113.2167	0.577	853	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	3:4:3:	3:3:3:1:	3:4:3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,1|O<2>,2|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){3|H<1>,5|C<3>}	113.2255	0.377	44	113.0992	0.210	413	113.1589	0.348	822	113.2167	0.577	853	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	3:4:3:	3:3:3:1:	3:4:3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,2|H<1>,7|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){3|H<1>,5|C<3>}	113.0605	0.451	28	113.0992	0.210	413	113.1589	0.348	822	113.2167	0.577	853	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	3:4:3:	3:3:3:1:	3:4:3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,3|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|C<2>,2|H<1>,5|C<3>}	113.0010	0.420	3	113.0992	0.210	413	113.1589	0.348	822	113.2167	0.577	853	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	3:4:3:	3:3:3:1:	3:4:3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,3|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|N<3>,2|H<1>,5|C<3>}	112.9171	0.450	32	113.0992	0.210	413	113.1589	0.348	822	113.2167	0.577	853	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	3:4:3:	3:3:3:1:	3:4:3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,3|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|O<2>,2|H<1>,5|C<3>}	112.9521	0.448	21	113.0992	0.210	413	113.1589	0.348	822	113.2167	0.577	853	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	3:4:3:	3:3:3:1:	3:4:3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,3|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|Pt<4>,2|H<1>,5|C<3>}	112.1360	0.238	4	113.0992	0.210	413	113.1589	0.348	822	113.2167	0.577	853	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	3:4:3:	3:3:3:1:	3:4:3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,3|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){2|H<1>,6|C<3>}	113.4785	0.093	2	113.0992	0.210	413	113.1589	0.348	822	113.2167	0.577	853	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	3:4:3:	3:3:3:1:	3:4:3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,3|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){3|H<1>,5|C<3>}	113.0512	0.435	115	113.0992	0.210	413	113.1589	0.348	822	113.2167	0.577	853	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	3:4:3:	3:3:3:1:	3:4:3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|Cl<1>,1|C<4>,1|N<2>,2|H<1>,5|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){3|H<1>,5|C<3>}	113.1765	0.278	2	113.0992	0.210	413	113.1589	0.348	822	113.2167	0.577	853	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	3:4:3:	3:3:3:1:	3:4:3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|H<1>,3|C<4>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){3|H<1>,5|C<3>}	112.5975	0.094	2	113.0992	0.210	413	113.1589	0.348	822	113.2167	0.577	853	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	3:4:3:	3:3:3:1:	3:4:3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]O)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|O<2>,2|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,3|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]O){1|C<4>,2|H<1>,5|C<3>}	112.8200	0.167	6	112.4836	0.143	14	113.1589	0.348	822	113.2167	0.577	853	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	3:4:3:	3:3:3:1:	3:4:3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]O)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|O<2>,2|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,3|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]O){2|H<1>,6|C<3>}	112.2314	0.277	8	112.4836	0.143	14	113.1589	0.348	822	113.2167	0.577	853	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	3:4:3:	3:3:3:1:	3:4:3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]P)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|P<3>,2|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,3|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]P){3|H<1>,5|C<3>}	113.3310	0.000	1	113.6565	0.084	8	113.1589	0.348	822	113.2167	0.577	853	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	3:4:3:	3:3:3:1:	3:4:3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]P)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|P<4>,2|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,3|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]P){3|H<1>,5|C<3>}	113.7030	0.278	7	113.6565	0.084	8	113.1589	0.348	822	113.2167	0.577	853	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	3:4:3:	3:3:3:1:	3:4:3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2I)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|I<1>,2|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,3|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2I)(C[6a]C[6a]H){3|H<1>,5|C<3>}	113.8100	0.000	1	113.8100	0.000	1	113.1589	0.348	822	113.2167	0.577	853	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	3:4:3:	3:3:3:1:	3:4:3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2Ir)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|Ir<5>,2|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,3|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2Ir)(C[6a]C[6a]H){3|H<1>,5|C<3>}	114.2960	0.000	1	114.6110	0.174	4	113.1589	0.348	822	113.2167	0.577	853	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	3:4:3:	3:3:3:1:	3:4:3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2Ir)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|Ir<6>,2|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,3|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2Ir)(C[6a]C[6a]H){3|H<1>,5|C<3>}	114.7160	0.441	3	114.6110	0.174	4	113.1589	0.348	822	113.2167	0.577	853	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	3:4:3:	3:3:3:1:	3:4:3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2Ir)(C[6a]C[6a]P)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|Ir<5>,1|H<1>,1|P<4>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,3|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2Ir)(C[6a]C[6a]P){3|H<1>,5|C<3>}	111.9375	0.189	2	112.3088	0.129	6	113.1589	0.348	822	113.2167	0.577	853	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	3:4:3:	3:3:3:1:	3:4:3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2Ir)(C[6a]C[6a]P)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|Ir<6>,1|H<1>,1|P<4>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,3|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2Ir)(C[6a]C[6a]P){3|H<1>,5|C<3>}	112.4945	0.255	4	112.3088	0.129	6	113.1589	0.348	822	113.2167	0.577	853	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	3:4:3:	3:3:3:1:	3:4:3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2N)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,3|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2N)(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	113.6207	0.391	12	113.5567	0.221	30	113.1589	0.348	822	113.2167	0.577	853	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	3:4:3:	3:3:3:1:	3:4:3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2N)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|N<3>,2|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,3|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2N)(C[6a]C[6a]H){3|H<1>,5|C<3>}	113.5141	0.522	18	113.5567	0.221	30	113.1589	0.348	822	113.2167	0.577	853	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	3:4:3:	3:3:3:1:	3:4:3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2O)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|O<2>,2|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,3|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2O)(C[6a]C[6a]H){3|H<1>,5|C<3>}	113.5633	0.332	6	113.5633	0.110	6	113.1589	0.348	822	113.2167	0.577	853	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	3:4:3:	3:3:3:1:	3:4:3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2Pd)(C[6a]C[6a]P)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|Pd<4>,1|H<1>,1|P<4>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,1|O<2>,2|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2Pd)(C[6a]C[6a]P){3|H<1>,5|C<3>}	112.4213	0.382	4	112.4213	0.146	4	113.1589	0.348	822	113.2167	0.577	853	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	3:4:3:	3:3:3:1:	3:4:3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2Pt)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|Pt<4>,2|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,3|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2Pt)(C[6a]C[6a]H){3|H<1>,5|C<3>}	113.8210	0.000	1	113.8210	0.000	1	113.1589	0.348	822	113.2167	0.577	853	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	3:4:3:	3:3:3:1:	3:4:3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2Pt)(C[6a]C[6a]P)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|Pt<4>,1|H<1>,1|P<4>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,1|O<2>,2|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2Pt)(C[6a]C[6a]P){3|H<1>,5|C<3>}	112.4665	0.025	2	112.5205	0.026	4	113.1589	0.348	822	113.2167	0.577	853	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	3:4:3:	3:3:3:1:	3:4:3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2Pt)(C[6a]C[6a]P)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|Pt<4>,1|H<1>,1|P<4>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,3|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2Pt)(C[6a]C[6a]P){3|H<1>,5|C<3>}	112.5745	0.257	2	112.5205	0.026	4	113.1589	0.348	822	113.2167	0.577	853	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	3:4:3:	3:3:3:1:	3:4:3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2Ru)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|Ru<6>,2|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,3|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2Ru)(C[6a]C[6a]H){3|H<1>,5|C<3>}	114.0310	0.000	1	114.0310	0.000	1	113.1589	0.348	822	113.2167	0.577	853	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	3:4:3:	3:3:3:1:	3:4:3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2Ru)(C[6a]C[6a]P)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|Ru<6>,1|H<1>,1|P<4>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,3|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2Ru)(C[6a]C[6a]P){3|H<1>,5|C<3>}	112.8640	0.099	2	112.8640	0.010	2	113.1589	0.348	822	113.2167	0.577	853	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	3:4:3:	3:3:3:1:	3:4:3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2S)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|S<1>,2|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,3|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2S)(C[6a]C[6a]H){3|H<1>,5|C<3>}	113.3683	0.154	3	113.5843	0.064	21	113.1589	0.348	822	113.2167	0.577	853	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	3:4:3:	3:3:3:1:	3:4:3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2S)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|S<2>,2|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,3|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2S)(C[6a]C[6a]H){3|H<1>,5|C<3>}	113.6203	0.252	18	113.5843	0.064	21	113.1589	0.348	822	113.2167	0.577	853	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	3:4:3:	3:3:3:1:	3:4:3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2Se)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|Se<2>,2|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,3|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2Se)(C[6a]C[6a]H){3|H<1>,5|C<3>}	113.6202	0.151	17	113.6202	0.023	17	113.1589	0.348	822	113.2167	0.577	853	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	3:4:3:	3:3:3:1:	3:4:3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2Si)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|Si<4>,2|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|Cl<1>,1|C<4>,2|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2Si)(C[6a]C[6a]H){3|H<1>,5|C<3>}	113.2275	0.578	2	113.2275	0.334	2	113.1589	0.348	822	113.2167	0.577	853	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	3:4:3:	3:3:3:1:	3:4:3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]N)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]C)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]N){1|C<2>,2|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,1|N<3>,2|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]C){1|N<3>,2|H<1>,5|C<3>}	112.5030	0.561	2	112.5030	0.315	2	113.1589	0.348	822	113.2167	0.577	853	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	3:4:3:	3:3:3:1:	3:4:3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]N)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]N)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]N){1|N<2>,2|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,1|N<3>,2|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]N){1|N<3>,2|H<1>,5|C<3>}	112.6660	0.000	1	113.1005	0.378	2	113.1589	0.348	822	113.2167	0.577	853	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	3:4:3:	3:3:3:1:	3:4:3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]N)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]N)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]N){1|N<3>,2|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,1|N<2>,2|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]N){1|N<2>,2|H<1>,5|C<3>}	113.5350	0.000	1	113.1005	0.378	2	113.1589	0.348	822	113.2167	0.577	853	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	3:4:3:	3:3:3:1:	3:4:3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]N[6a])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]N[6a]Cl)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]N[6a]){1|Cl<1>,1|H<1>,2|N<2>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,1|N<2>,2|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]N[6a]Cl){1|H<1>,1|N<2>,5|C<3>}	113.0500	0.000	1	113.0500	0.000	1	113.1589	0.348	822	113.2167	0.577	853	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	3:4:3:	3:3:3:1:	3:4:3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]N[6a])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]N[6a]O)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]N[6a]){1|H<1>,1|N<2>,1|O<2>,6|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,1|N<2>,2|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]N[6a]O){1|H<1>,1|N<2>,5|C<3>}	112.9310	0.000	1	113.1890	0.133	2	113.1589	0.348	822	113.2167	0.577	853	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	3:4:3:	3:3:3:1:	3:4:3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]N[6a])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]N[6a]O)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]N[6a]){1|H<1>,1|O<2>,2|N<2>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,1|N<2>,2|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]N[6a]O){1|H<1>,1|N<2>,5|C<3>}	113.4470	0.000	1	113.1890	0.133	2	113.1589	0.348	822	113.2167	0.577	853	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	3:4:3:	3:3:3:1:	3:4:3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]O)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]O)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]O){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,1|O<2>,2|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]O){1|O<2>,2|H<1>,5|C<3>}	114.2810	0.000	1	114.2810	0.000	1	113.1589	0.348	822	113.2167	0.577	853	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	3:4:3:	3:3:3:1:	3:4:3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]O)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]O){1|C<4>,2|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,1|H<1>,2|O<2>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|O<2>,2|H<1>,5|C<3>}	113.8523	0.291	6	113.8990	0.047	14	113.1589	0.348	822	113.2167	0.577	853	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	3:4:3:	3:3:3:1:	3:4:3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]O)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]O){2|H<1>,6|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,1|H<1>,2|O<2>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|O<2>,2|H<1>,5|C<3>}	114.0480	0.161	2	113.8990	0.047	14	113.1589	0.348	822	113.2167	0.577	853	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	3:4:3:	3:3:3:1:	3:4:3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]O)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]O){2|H<1>,6|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,3|O<2>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|O<2>,2|H<1>,5|C<3>}	113.8960	0.140	6	113.8990	0.047	14	113.1589	0.348	822	113.2167	0.577	853	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	3:4:3:	3:3:3:1:	3:4:3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]O)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]O)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]O){1|O<2>,2|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,1|O<2>,2|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]O){1|O<2>,2|H<1>,5|C<3>}	113.1043	0.417	7	113.1043	0.174	7	113.1589	0.348	822	113.2167	0.577	853	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	3:4:3:	3:3:3:1:	3:4:3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]O)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2Pd)(C[6a]C[6a]O)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]O){1|Pd<4>,1|H<1>,1|O<2>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,1|O<2>,2|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2Pd)(C[6a]C[6a]O){1|O<2>,2|H<1>,5|C<3>}	114.4230	0.530	2	114.4230	0.281	2	113.1589	0.348	822	113.2167	0.577	853	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	3:4:3:	3:3:3:1:	3:4:3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]O)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2Pt)(C[6a]C[6a]O)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]O){1|Pt<4>,1|H<1>,1|O<2>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,1|O<2>,2|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2Pt)(C[6a]C[6a]O){1|O<2>,2|H<1>,5|C<3>}	114.9150	0.000	1	114.9150	0.000	1	113.1589	0.348	822	113.2167	0.577	853	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	3:4:3:	3:3:3:1:	3:4:3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]P)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]P){3|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,1|H<1>,2|P<3>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|P<3>,2|H<1>,5|C<3>}	112.2900	0.000	1	111.6139	0.237	8	113.1589	0.348	822	113.2167	0.577	853	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	3:4:3:	3:3:3:1:	3:4:3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]P)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]P){3|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,1|H<1>,2|P<4>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|P<4>,2|H<1>,5|C<3>}	111.5173	0.435	7	111.6139	0.237	8	113.1589	0.348	822	113.2167	0.577	853	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	3:4:3:	3:3:3:1:	3:4:3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]N[6a]Cl)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]N[6a])	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]N[6a]Cl){1|H<1>,1|N<2>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|Cl<1>,1|C<4>,1|N<2>,2|H<1>,5|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]N[6a]){1|Cl<1>,1|H<1>,2|N<2>,5|C<3>}	114.4270	0.000	1	114.4270	0.000	1	113.1589	0.348	822	113.2167	0.577	853	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	3:4:3:	3:3:3:1:	3:4:3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]N[6a]O)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]N[6a])	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]N[6a]O){1|H<1>,1|N<2>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,1|N<2>,1|O<2>,2|H<1>,5|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]N[6a]){1|H<1>,1|N<2>,1|O<2>,6|C<3>}	114.7950	0.000	1	114.6020	0.074	2	113.1589	0.348	822	113.2167	0.577	853	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	3:4:3:	3:3:3:1:	3:4:3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]N[6a]O)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]N[6a])	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]N[6a]O){1|H<1>,1|N<2>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,1|N<2>,1|O<2>,2|H<1>,5|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]N[6a]){1|H<1>,1|O<2>,2|N<2>,5|C<3>}	114.4090	0.000	1	114.6020	0.074	2	113.1589	0.348	822	113.2167	0.577	853	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	3:4:3:	3:3:3:1:	3:4:3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:P[3x6]-4:C[6a]-3:	C[6,6,6a](C[6,6,6a]P[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(P[3x6]C[6,6,6a]2C)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]P[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|P<4>,3|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(P[3x6]C[6,6,6a]2C)(C[6a]C[6a]H){3|H<1>,5|C<3>}	118.1530	0.000	1	118.1530	0.000	1	117.0921	0.486	10	113.2167	0.577	853	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	3:4:3:	3:3:3:1:	3:4:3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:P[3x6]-4:C[6a]-3:	C[6,6,6a](C[6,6,6a]P[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(P[3x6]C[6,6,6a]2Rh)(C[6a]C[6a]C)	C[6,6,6a](C[6,6,6a]P[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|Rh<4>,1|C<4>,1|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|P<4>,3|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(P[3x6]C[6,6,6a]2Rh)(C[6a]C[6a]C){3|H<1>,5|C<3>}	118.1770	0.000	1	118.1770	0.000	1	117.0921	0.486	10	113.2167	0.577	853	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	3:4:3:	3:3:3:1:	3:4:3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:P[3x6]-4:C[6a]-3:	C[6,6,6a](C[6,6,6a]P[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(P[3x6]C[6,6,6a]2Rh)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]P[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|Rh<4>,2|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|P<4>,3|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(P[3x6]C[6,6,6a]2Rh)(C[6a]C[6a]H){3|H<1>,5|C<3>}	116.8239	0.463	8	116.8239	0.214	8	117.0921	0.486	10	113.2167	0.577	853	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	3:4:3:	3:3:3:1:	3:4:3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:I-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2I)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(I)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2I)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(I){1|C<4>,3|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|I<1>,2|H<1>,5|C<3>}	112.3270	0.000	1	112.3270	0.000	1	112.3270	0.000	1	113.2167	0.577	853	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	3:4:3:	3:3:3:1:	3:4:3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:S-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2S)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(S)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2S)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(S){1|C<4>,3|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|S<1>,2|H<1>,5|C<3>}	114.7770	0.218	3	114.7770	0.047	3	114.7770	0.047	3	113.2167	0.577	853	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	3:4:3:	3:3:3:1:	3:4:3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6]-3:C[6,6]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]Br)(C[6,6]C[6,6]H)(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]H){1|Br<1>,3|C<3>,4|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]Br)(C[6,6]C[6,6]H)(H){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]H){1|Br<1>,3|C<3>,4|H<1>}	112.2205	0.028	2	112.2205	0.001	2	112.3695	0.042	4	113.2167	0.577	853	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	3:4:3:	3:3:3:1:	3:4:3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6]-3:C[6,6]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C)(C[6,6]C[6,6]H)(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]H){4|C<3>,4|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C)(C[6,6]C[6,6]H)(H){1|C<4>,2|H<1>,3|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]H){4|C<3>,4|H<1>}	112.5185	0.194	2	112.5185	0.038	2	112.3695	0.042	4	113.2167	0.577	853	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	3:4:3:	3:3:3:1:	3:4:3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6]-3:C[6,6]-3:H-1:	C[6,6,6a]-3:P[3x6]-4:C[6a]-3:	C[6,6,6a](C[6,6,6a]P[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C)2(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(P[3x6]C[6,6]2Pd)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]P[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]H){1|Pd<2>,2|C<4>,2|H<1>,3|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C)2(H){2|Si<4>,1|H<1>,1|P<4>,2|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(P[3x6]C[6,6]2Pd)(C[6a]C[6a]H){2|Si<4>,3|C<3>,3|H<1>}	115.9260	0.297	2	115.5407	0.490	3	115.5944	0.265	5	113.2167	0.577	853	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	3:4:3:	3:3:3:1:	3:4:3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6]-3:C[6,6]-3:H-1:	C[6,6,6a]-3:P[3x6]-4:C[6a]-3:	C[6,6,6a](C[6,6,6a]P[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C)2(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(P[3x6]C[6,6]2Pd)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]P[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]H){1|Pd<5>,2|C<4>,2|H<1>,3|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C)2(H){2|Si<4>,1|H<1>,1|P<4>,2|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(P[3x6]C[6,6]2Pd)(C[6a]C[6a]H){2|Si<4>,3|C<3>,3|H<1>}	114.7700	0.000	1	115.5407	0.490	3	115.5944	0.265	5	113.2167	0.577	853	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	3:4:3:	3:3:3:1:	3:4:3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6]-3:C[6,6]-3:H-1:	C[6,6,6a]-3:P[3x6]-4:C[6a]-3:	C[6,6,6a](C[6,6,6a]P[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C)2(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(P[3x6]C[6,6]2Pt)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]P[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]H){1|Pt<2>,2|C<4>,2|H<1>,3|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C)2(H){2|Si<4>,1|H<1>,1|P<4>,2|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(P[3x6]C[6,6]2Pt)(C[6a]C[6a]H){2|Si<4>,3|C<3>,3|H<1>}	115.6750	0.240	2	115.6750	0.058	2	115.5944	0.265	5	113.2167	0.577	853	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	3:4:3:	3:3:3:1:	4:3:3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[3x6]-3:C[6,6]-3:H-1:	C[4x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a](C[6,6,6a]C[4x6]C[6a])(C[3x6]C[3x6]C[6,6]H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]C[4x6]C[6])(C[6,6]C[6,6]H)(H)	C[6,6,6a](C[4x6]C[6,6a]C[4x6]C[6,6])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[4x6]C[6a])(C[3x6]C[3x6]C[6,6]H)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]C[4x6]C[6])(C[6,6]C[6,6]H)(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6,6,6a](C[4x6]C[6,6a]C[4x6]C[6,6])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){4|H<1>,6|C<3>}	113.3525	0.112	2	113.3525	0.013	2	113.3525	0.013	2	113.6067	0.288	23	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	3:4:3:	3:3:3:1:	4:3:3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[3x6]-3:C[6,6]-3:H-1:	C[5,3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a](C[6,6,6a]C[5,3x6]C[6a])(C[3x6]C[3x6]C[6,6]H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]C[3x6]C[6])(C[6,6]C[5,6,6]C)(H)	C[6,6,6a](C[5,3x6]C[5,6,6]C[3x6]C[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[5,3x6]C[6a])(C[3x6]C[3x6]C[6,6]H)(C[6a]C[6a]H){1|C<2>,1|C<4>,2|H<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]C[3x6]C[6])(C[6,6]C[5,6,6]C)(H){1|C<4>,1|H<1>,5|C<3>}	C[6,6,6a](C[5,3x6]C[5,6,6]C[3x6]C[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|O<2>,5|C<3>,5|H<1>}	112.6780	0.000	1	112.6780	0.000	1	112.6780	0.000	1	113.6067	0.288	23	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	3:4:3:	3:3:3:1:	4:3:3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[3x6]C[6,6,6a]2C[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,1|O<2>,2|H<1>,6|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]2C[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|Fe<10>,2|C<4>,3|H<1>,5|C<3>}	113.8545	0.200	4	113.7144	0.193	7	113.6997	0.287	18	113.6067	0.288	23	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	3:4:3:	3:3:3:1:	4:3:3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[3x6]C[6,6,6a]2C[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,3|H<1>,6|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]2C[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|Fe<10>,2|C<4>,3|H<1>,5|C<3>}	113.2055	0.484	2	113.7144	0.193	7	113.6997	0.287	18	113.6067	0.288	23	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	3:4:3:	3:3:3:1:	4:3:3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[3x6]C[6,6,6a]2C[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|H<1>,2|C<4>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,3|H<1>,6|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]2C[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|Fe<10>,2|H<1>,3|C<4>,5|C<3>}	114.1720	0.000	1	113.7144	0.193	7	113.6997	0.287	18	113.6067	0.288	23	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	3:4:3:	3:3:3:1:	4:3:3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[3x6]C[6,6,6a]2C[6a])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,3|H<1>,6|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]2C[6a])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){3|H<1>,7|C<3>}	113.5523	0.588	9	113.5523	0.346	9	113.6997	0.287	18	113.6067	0.288	23	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	3:4:3:	3:3:3:1:	4:3:3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]O)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[3x6]C[6,6,6a]2C[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]O)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]O){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,1|O<2>,2|H<1>,6|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]2C[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]O){1|Fe<10>,1|O<2>,2|C<4>,2|H<1>,5|C<3>}	114.3110	0.107	2	114.3110	0.012	2	113.6997	0.287	18	113.6067	0.288	23	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	3:4:3:	3:3:3:1:	4:3:3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6]-3:C[6,6]-3:H-1:	C[4x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a](C[6,6,6a]C[4x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[3x6]H)(C[6,6]C[6,6]O)(H)	C[6,6,6a](C[4x6]C[3x6]C[6,6]C[6])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[4x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[3x6]H)(C[6,6]C[6,6]O)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6,6,6a](C[4x6]C[3x6]C[6,6]C[6])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|O<1>,2|C<4>,3|C<3>,5|H<1>}	113.8600	0.000	1	113.8600	0.000	1	113.8600	0.000	1	113.6067	0.288	23	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	3:4:3:	3:3:3:1:	4:3:3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6]-3:C[6,6]-3:H-1:	C[5,3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a](C[6,6,6a]C[5,3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[5,6,6]C[6a])(C[6,6]C[6,6]H)(H)	C[6,6,6a](C[5,3x6]C[5,6,6]C[6,6]Se[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[5,3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]H){1|Se<3>,3|H<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[5,6,6]C[6a])(C[6,6]C[6,6]H)(H){1|C<4>,2|H<1>,5|C<3>}	C[6,6,6a](C[5,3x6]C[5,6,6]C[6,6]Se[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|O<1>,4|H<1>,5|C<3>}	113.1180	0.000	1	113.1180	0.000	1	113.1180	0.000	1	113.6067	0.288	23	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	3:4:3:	3:3:3:2:	3:3:3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:O-2:	C[6,6,6a]-3:P[3x6]-3:C[6a]-3:	C[6,6,6a](C[6,6,6a]P[3x6]C[6a])(C[3x6]C[6,6,6a]2O)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(OC)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(P[3x6]C[6,6,6a]2)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]P[3x6]C[6a])(C[3x6]C[6,6,6a]2O)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(OC){1|P<3>,3|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(P[3x6]C[6,6,6a]2)(C[6a]C[6a]H){1|O<2>,2|H<1>,5|C<3>}	115.2277	0.300	6	115.2277	0.090	6	115.2277	0.090	6	115.2277	0.090	6	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	3:4:3:	3:3:3:2:	3:4:3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:C-2:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(CC)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]H){1|C<2>,2|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(CC){1|C<4>,3|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]H){1|C<2>,2|H<1>,5|C<3>}	113.4637	0.217	6	113.4637	0.047	6	113.1786	0.122	41	112.9488	0.172	83	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	3:4:3:	3:3:3:2:	3:4:3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:C-2:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(CC)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(CC){1|C<4>,3|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|C<2>,2|H<1>,5|C<3>}	113.0470	0.305	29	113.0470	0.093	29	113.1786	0.122	41	112.9488	0.172	83	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	3:4:3:	3:3:3:2:	3:4:3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:C-2:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(CP)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]H){1|C<2>,2|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(CP){1|C<4>,3|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]H){1|C<2>,2|H<1>,5|C<3>}	113.5297	0.251	6	113.5297	0.063	6	113.1786	0.122	41	112.9488	0.172	83	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	3:4:3:	3:3:3:2:	3:4:3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:O-2:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2O)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(OC[6a])	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2O)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(OC[6a]){1|C<4>,3|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|O<2>,2|H<1>,5|C<3>}	112.6235	0.342	6	112.6235	0.117	6	112.6235	0.117	6	112.9488	0.172	83	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	3:4:3:	3:3:3:2:	3:4:3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:S-2:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2S)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(SC)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2S)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(SC){1|C<4>,3|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|S<2>,2|H<1>,5|C<3>}	112.9311	0.477	12	112.9311	0.227	12	112.8562	0.194	18	112.9488	0.172	83	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	3:4:3:	3:3:3:2:	3:4:3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:S-2:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2S)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(SC[6a])	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2S)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(SC[6a]){1|C<4>,3|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|S<2>,2|H<1>,5|C<3>}	112.7063	0.344	6	112.7063	0.118	6	112.8562	0.194	18	112.9488	0.172	83	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	3:4:3:	3:3:3:2:	3:4:3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:Se-2:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2Se)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(SeC[6a])	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2Se)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(SeC[6a]){1|C<4>,3|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|Se<2>,2|H<1>,5|C<3>}	112.6264	0.176	18	112.6264	0.031	18	112.6264	0.031	18	112.9488	0.172	83	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	3:4:3:	3:3:3:3:	3:3:3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6]-3:C[6,6]-3:C[6a]-3:	C[6,6,6a]-3:P[3x6]-3:C[6a]-3:	C[6,6,6a](C[6,6,6a]P[3x6]C[6a])(C[3x6]C[6,6]2C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]H)2(C[6a]C[6a]2)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(P[3x6]C[6,6]2)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]P[3x6]C[6a])(C[3x6]C[6,6]2C[6a])(C[6a]C[6a]H){4|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]H)2(C[6a]C[6a]2){1|P<3>,3|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(P[3x6]C[6,6]2)(C[6a]C[6a]H){2|H<1>,6|C<3>}	115.5810	0.000	1	115.5810	0.000	1	115.5810	0.000	1	115.5810	0.000	1	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	3:4:3:	3:3:3:3:	3:4:3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:C-3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(CHO)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(CHO){1|C<4>,1|O<2>,2|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]H){2|H<1>,6|C<3>}	113.3709	0.996	16	113.3709	0.992	16	113.0693	0.764	74	113.1042	1.164	110	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	3:4:3:	3:3:3:3:	3:4:3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:C-3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(COO)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(COO){1|C<4>,3|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]H){2|H<1>,6|C<3>}	113.7087	0.895	6	113.7087	0.802	6	113.0693	0.764	74	113.1042	1.164	110	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	3:4:3:	3:3:3:3:	3:4:3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:C-3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(COO)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(COO){1|C<4>,3|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|C<4>,1|H<1>,6|C<3>}	112.7339	0.763	35	112.7486	0.517	41	113.0693	0.764	74	113.1042	1.164	110	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	3:4:3:	3:3:3:3:	3:4:3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:C-3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(COO)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]H){1|N<3>,2|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(COO){1|C<4>,3|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){2|H<1>,6|C<3>}	112.8347	0.415	6	112.7486	0.517	41	113.0693	0.764	74	113.1042	1.164	110	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	3:4:3:	3:3:3:3:	3:4:3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:C-3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(CPtP)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(CPtP){1|C<4>,3|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]H){2|H<1>,6|C<3>}	113.8160	1.255	3	113.8160	1.576	3	113.0693	0.764	74	113.1042	1.164	110	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	3:4:3:	3:3:3:3:	3:4:3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:C-3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]O)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(CHO)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]O)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]O){1|H<1>,1|O<2>,6|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(CHO){1|C<4>,1|O<2>,2|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]O){1|H<1>,1|O<2>,6|C<3>}	113.3499	0.612	8	113.3499	0.374	8	113.0693	0.764	74	113.1042	1.164	110	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	3:4:3:	3:3:3:3:	3:4:3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:N-3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2N)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(NCH)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2N)(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(NCH){1|C<4>,3|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	112.8261	0.629	12	112.7136	0.275	28	112.7136	0.275	28	113.1042	1.164	110	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	3:4:3:	3:3:3:3:	3:4:3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:N-3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2N)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(NCH)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2N)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(NCH){1|C<4>,3|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|N<3>,2|H<1>,5|C<3>}	112.6293	0.433	16	112.7136	0.275	28	112.7136	0.275	28	113.1042	1.164	110	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	3:4:3:	3:3:3:3:	3:4:3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6]-3:C[6,6]-3:C[6a]-3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2C[6a])(C[6a]C[6a,6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]N[6,6]O)2(C[6a]C[6a]2)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]N[6,6]2C[6a])(C[6a]C[6a,6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2C[6a])(C[6a]C[6a,6a]H){1|H<1>,2|N<3>,2|O<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]N[6,6]O)2(C[6a]C[6a]2){3|C<4>,3|H<1>,4|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]N[6,6]2C[6a])(C[6a]C[6a,6a]H){1|H<1>,2|C<4>,7|C<3>}	113.5890	0.000	1	113.5890	0.000	1	114.1240	0.572	2	113.1042	1.164	110	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	3:4:3:	3:3:3:3:	3:4:3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6]-3:C[6,6]-3:C[6a]-3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]N[6,6]O)2(C[6a]C[6a]2)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]N[6,6]2C[6a])(C[6a]N[6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2C[6a])(C[6a]C[6a]H){1|N<2>,2|H<1>,2|N<3>,2|O<1>,3|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]N[6,6]O)2(C[6a]C[6a]2){3|C<4>,3|H<1>,4|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]N[6,6]2C[6a])(C[6a]N[6a]H){1|H<1>,2|C<4>,6|C<3>}	114.6590	0.000	1	114.6590	0.000	1	114.1240	0.572	2	113.1042	1.164	110	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	3:4:3:	3:3:3:3:	3:4:3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6]-3:C[6,6]-3:C[6a]-3:	C[6,6,6a]-3:P[3x6]-4:C[6a]-3:	C[6,6,6a](C[6,6,6a]P[3x6]C[6a])(C[3x6]C[6,6]2C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]H)2(C[6a]C[6a]2)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(P[3x6]C[6,6]2Fe)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]P[3x6]C[6a])(C[3x6]C[6,6]2C[6a])(C[6a]C[6a]H){1|Fe<8>,4|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]H)2(C[6a]C[6a]2){1|P<4>,3|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(P[3x6]C[6,6]2Fe)(C[6a]C[6a]H){2|H<1>,6|C<3>}	117.3220	0.000	1	117.3220	0.000	1	116.7018	0.207	4	113.1042	1.164	110	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	3:4:3:	3:3:3:3:	3:4:3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6]-3:C[6,6]-3:C[6a]-3:	C[6,6,6a]-3:P[3x6]-4:C[6a]-3:	C[6,6,6a](C[6,6,6a]P[3x6]C[6a])(C[3x6]C[6,6]2C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]H)2(C[6a]C[6a]2)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(P[3x6]C[6,6]2Se)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]P[3x6]C[6a])(C[3x6]C[6,6]2C[6a])(C[6a]C[6a]H){1|Se<1>,4|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]H)2(C[6a]C[6a]2){1|P<4>,3|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(P[3x6]C[6,6]2Se)(C[6a]C[6a]H){2|H<1>,6|C<3>}	116.4015	0.233	2	116.4015	0.054	2	116.7018	0.207	4	113.1042	1.164	110	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	3:4:3:	3:3:3:3:	3:4:3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6]-3:C[6,6]-3:C[6a]-3:	C[6,6,6a]-3:P[3x6]-4:C[6a]-3:	C[6,6,6a](C[6,6,6a]P[3x6]C[6a])(C[3x6]C[6,6]2C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]H)2(C[6a]C[6a]2)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(P[3x6]C[6,6]2W)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]P[3x6]C[6a])(C[3x6]C[6,6]2C[6a])(C[6a]C[6a]H){1|W<6>,4|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]H)2(C[6a]C[6a]2){1|P<4>,3|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(P[3x6]C[6,6]2W)(C[6a]C[6a]H){2|H<1>,6|C<3>}	116.6820	0.000	1	116.6820	0.000	1	116.7018	0.207	4	113.1042	1.164	110	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	3:4:3:	3:3:3:3:	3:4:3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:N[6,6]-3:N[6,6]-3:C[6a]-3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]N[6,6]2C[6a])(C[6a]C[6a,6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(N[6,6]C[6,6]C)2(C[6a]C[6a]2)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2C[6a])(C[6a]C[6a,6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]N[6,6]2C[6a])(C[6a]C[6a,6a]H){1|H<1>,2|C<4>,7|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(N[6,6]C[6,6]C)2(C[6a]C[6a]2){1|C<4>,2|O<1>,3|H<1>,4|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2C[6a])(C[6a]C[6a,6a]H){1|H<1>,2|N<3>,2|O<1>,5|C<3>}	111.6290	0.000	1	111.6290	0.000	1	111.6505	0.001	2	113.1042	1.164	110	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	3:4:3:	3:3:3:3:	3:4:3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:N[6,6]-3:N[6,6]-3:C[6a]-3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]N[6,6]2C[6a])(C[6a]N[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(N[6,6]C[6,6]C)2(C[6a]C[6a]2)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]N[6,6]2C[6a])(C[6a]N[6a]H){1|H<1>,2|C<4>,6|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(N[6,6]C[6,6]C)2(C[6a]C[6a]2){1|C<4>,1|N<2>,2|O<1>,3|C<3>,3|H<1>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2C[6a])(C[6a]C[6a]H){1|N<2>,2|H<1>,2|N<3>,2|O<1>,3|C<3>}	111.6720	0.000	1	111.6720	0.000	1	111.6505	0.001	2	113.1042	1.164	110	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	3:4:3:	3:3:3:4:	3:4:3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:C-4:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]Br)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(CC[6a]HH)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]Br){3|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(CC[6a]HH){1|Br<1>,1|H<1>,2|C<4>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|H<1>,5|C<3>}	112.6470	0.000	1	112.6470	0.000	1	113.7535	1.073	127	113.7690	1.018	146	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	3:4:3:	3:3:3:4:	3:4:3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:C-4:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]C)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(CC[6a]HH)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]C)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]C){1|C<4>,2|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(CC[6a]HH){1|Br<1>,1|H<1>,2|C<4>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]C){1|H<1>,2|C<4>,5|C<3>}	110.6070	0.000	1	110.6070	0.000	1	113.7535	1.073	127	113.7690	1.018	146	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	3:4:3:	3:3:3:4:	3:4:3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:C-4:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]Cl)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(CH3)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]Cl)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]Cl){1|Cl<1>,1|C<4>,1|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(CH3){1|Cl<1>,1|C<4>,2|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]Cl){1|Cl<1>,1|C<4>,1|H<1>,5|C<3>}	113.2821	0.111	8	113.2821	0.012	8	113.7535	1.073	127	113.7690	1.018	146	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	3:4:3:	3:3:3:4:	3:4:3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:C-4:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(CCHH)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(CCHH){1|C<4>,3|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|H<1>,5|C<3>}	114.4580	0.244	6	114.3743	0.053	9	113.7535	1.073	127	113.7690	1.018	146	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	3:4:3:	3:3:3:4:	3:4:3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:C-4:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(CCHH)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(CCHH){1|C<4>,3|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	114.2070	0.031	3	114.3743	0.053	9	113.7535	1.073	127	113.7690	1.018	146	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	3:4:3:	3:3:3:4:	3:4:3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:C-4:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(CCHH)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]H){1|N<3>,2|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(CCHH){1|C<4>,3|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	114.0897	0.302	3	114.0897	0.091	3	113.7535	1.073	127	113.7690	1.018	146	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	3:4:3:	3:3:3:4:	3:4:3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:C-4:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(CC[6a]HH)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(CC[6a]HH){1|Br<1>,1|H<1>,2|C<4>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	113.7630	0.000	1	113.8880	0.067	6	113.7535	1.073	127	113.7690	1.018	146	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	3:4:3:	3:3:3:4:	3:4:3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:C-4:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(CC[6a]HH)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(CC[6a]HH){1|C<4>,1|O<2>,2|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	114.1595	0.021	2	113.8880	0.067	6	113.7535	1.073	127	113.7690	1.018	146	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	3:4:3:	3:3:3:4:	3:4:3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:C-4:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(CC[6a]HH)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(CC[6a]HH){1|C<4>,3|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	113.7487	0.236	3	113.8880	0.067	6	113.7535	1.073	127	113.7690	1.018	146	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	3:4:3:	3:3:3:4:	3:4:3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:C-4:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(CH3)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(CH3){1|C<4>,3|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	113.6980	1.316	48	113.7734	1.266	92	113.7535	1.073	127	113.7690	1.018	146	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	3:4:3:	3:3:3:4:	3:4:3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:C-4:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(CH3)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(CH3){1|C<4>,3|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	113.6846	1.001	31	113.7734	1.266	92	113.7535	1.073	127	113.7690	1.018	146	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	3:4:3:	3:3:3:4:	3:4:3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:C-4:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(CH3)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(CH3){1|Cl<1>,1|C<4>,2|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	114.2639	0.092	13	113.7734	1.266	92	113.7535	1.073	127	113.7690	1.018	146	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	3:4:3:	3:3:3:4:	3:4:3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:C-4:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(CHHO)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(CHHO){1|C<4>,3|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	113.7845	0.104	6	113.7845	0.011	6	113.7535	1.073	127	113.7690	1.018	146	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	3:4:3:	3:3:3:4:	3:4:3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:C-4:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]O)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(CC[6a]HH)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]O)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]O){1|O<2>,2|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(CC[6a]HH){1|C<4>,1|O<2>,2|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]O){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	112.3590	0.000	1	112.3590	0.000	1	113.7535	1.073	127	113.7690	1.018	146	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	3:4:3:	3:3:3:4:	3:4:3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:Ge-4:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2Ge)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(GeC[3x6]FF)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]C)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2Ge)(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(GeC[3x6]FF){1|C<4>,3|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]C){1|Ge<4>,2|H<1>,5|C<3>}	113.9430	0.000	1	113.9430	0.000	1	113.8941	0.684	15	113.7690	1.018	146	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	3:4:3:	3:3:3:4:	3:4:3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:Ge-4:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2Ge)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(GeC[3x6]FF)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2Ge)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(GeC[3x6]FF){1|C<4>,3|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|Ge<4>,2|H<1>,5|C<3>}	112.1960	0.020	2	112.1960	0.000	2	113.8941	0.684	15	113.7690	1.018	146	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	3:4:3:	3:3:3:4:	3:4:3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:Ge-4:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2Ge)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(GeClPt2)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2Ge)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(GeClPt2){1|C<4>,3|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|Ge<4>,2|H<1>,5|C<3>}	114.2360	0.727	3	114.2360	0.529	3	113.8941	0.684	15	113.7690	1.018	146	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	3:4:3:	3:3:3:4:	3:4:3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:Ge-4:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2Ge)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(GePt2H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2Ge)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(GePt2H){1|C<4>,3|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|Ge<4>,2|H<1>,5|C<3>}	114.3067	0.551	3	114.3067	0.304	3	113.8941	0.684	15	113.7690	1.018	146	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	3:4:3:	3:3:3:4:	3:4:3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:Ge-4:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2Ge)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(GePtHH)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2Ge)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(GePtHH){1|C<4>,3|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|Ge<4>,2|H<1>,5|C<3>}	114.0747	0.467	6	114.0747	0.218	6	113.8941	0.684	15	113.7690	1.018	146	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	3:4:3:	3:3:3:4:	3:4:3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:Si-4:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2Si)(C[6a]C[6a]Cl)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(SiC[6a]HH)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]Cl)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2Si)(C[6a]C[6a]Cl){1|Cl<1>,2|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(SiC[6a]HH){1|Cl<1>,1|C<4>,2|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]Cl){1|Cl<1>,1|Si<4>,1|H<1>,5|C<3>}	112.5730	0.000	1	112.5730	0.000	1	113.6620	1.245	3	113.7690	1.018	146	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	3:4:3:	3:3:3:4:	3:4:3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:Si-4:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2Si)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(SiC[6a]HH)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2Si)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(SiC[6a]HH){1|Cl<1>,1|C<4>,2|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|Si<4>,2|H<1>,5|C<3>}	114.2065	0.844	2	114.2065	0.712	2	113.6620	1.245	3	113.7690	1.018	146	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	3:4:3:	3:3:3:4:	3:4:3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6]-3:C[6,6]-3:C-4:	C[6,6,6a]-3:B[3x6]-4:C[6a]-3:	C[6,6,6a](C[6,6,6a]B[3x6]C[6a])(C[3x6]C[6,6]2C)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]H)2(CH3)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(B[3x6]C[6,6]2N[6])(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]B[3x6]C[6a])(C[3x6]C[6,6]2C)(C[6a]C[6a]H){1|N<3>,3|C<3>,4|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]H)2(CH3){1|B<4>,2|C<3>,3|H<1>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(B[3x6]C[6,6]2N[6])(C[6a]C[6a]H){1|C<4>,4|H<1>,5|C<3>}	114.1730	0.000	1	114.1730	0.000	1	114.1730	0.000	1	113.7690	1.018	146	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	3:4:3:	3:3:4:3:	3:3:4:	C[6,6a,6a]-3:C[3x6]-4:C[6,6,6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a,6a]-3:C[6,6,6a]-3:C[6,6]-4:	C[6,6,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[3x6]C[6,6,6a]C[6,6]C[6a])(C[6,6,6a]C[6,6a,6a]C[6,6])	C[3x6](C[6,6,6a]C[6,6a,6a]C[5,6,6a])(C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[6,6]C[6a]N[6]O[6])(C[6a]C[6a]2)	C[6,6,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[6,6,6a]C[6,6a,6a]C[3x6])(C[6,6]C[6a]C[6]N[6])	C[6,6,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[3x6]C[6,6,6a]C[6,6]C[6a])(C[6,6,6a]C[6,6a,6a]C[6,6]){11|C<3>,1|N<3>,1|O<2>}	C[3x6](C[6,6,6a]C[6,6a,6a]C[5,6,6a])(C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[6,6]C[6a]N[6]O[6])(C[6a]C[6a]2){2|C<4>,3|H<1>,9|C<3>}	C[6,6,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[6,6,6a]C[6,6a,6a]C[3x6])(C[6,6]C[6a]C[6]N[6]){1|C<4>,1|H<1>,1|N<2>,1|O<1>,8|C<3>}	120.7720	0.000	1	120.7720	0.000	1	120.7720	0.000	1	120.7720	0.000	1	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	3:4:3:	3:4:2:1:	3:4:3:	C[6,6,6a]-3:C[3x6]-4:C[6,6a]-3:	C[6,6,6a]-3:C[6,6]-4:O[6,6]-2:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]O[6,6]H)(C[6,6a]C[6,6a]C[6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6,6a])(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(H)	C[6,6,6a](C[6,6,6a]C[6,6a]C[3x6])(C[3x6]C[6,6]2C)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]O[6,6]H)(C[6,6a]C[6,6a]C[6]){1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6,6a])(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6,6,6a](C[6,6,6a]C[6,6a]C[3x6])(C[3x6]C[6,6]2C)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|O<2>,3|H<1>}	111.0386	0.753	5	111.0386	0.567	5	111.0386	0.567	5	111.8597	0.773	13	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	3:4:3:	3:4:2:1:	3:4:3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[3x6]-4:O[6,6]-2:H-1:	C[6,6,6a]-3:C[4x6]-4:C[6a]-3:	C[6,6,6a](C[6,6,6a]C[4x6]C[6a])(C[3x6]C[3x6]O[6,6]H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]C[6,6a]C[4x6]O)(O[6,6]C[3x6])(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[4x6]C[3x6]C[4x6]O)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[4x6]C[6a])(C[3x6]C[3x6]O[6,6]H)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]C[6,6a]C[4x6]O)(O[6,6]C[3x6])(H){1|H<1>,2|O<2>,3|C<4>,4|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[4x6]C[3x6]C[4x6]O)(C[6a]C[6a]H){1|C<3>,3|C<4>,3|H<1>,3|O<2>}	113.0755	0.354	2	113.0755	0.126	2	113.0755	0.126	2	111.8597	0.773	13	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	3:4:3:	3:4:2:1:	3:4:3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6]-4:O[6,6]-2:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]O[6,6]H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]CH)(O[6,6]C[6,6])(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2C)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]O[6,6]H)(C[6a]C[6a]H){2|C<3>,3|C<4>,3|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]CH)(O[6,6]C[6,6])(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2C)(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	112.2230	0.000	1	112.2230	0.000	1	112.1387	0.016	6	111.8597	0.773	13	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	3:4:3:	3:4:2:1:	3:4:3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6]-4:O[6,6]-2:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]O[6,6]H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2C)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]O[6,6]H)(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2C)(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	112.1707	0.093	4	112.1218	0.018	5	112.1387	0.016	6	111.8597	0.773	13	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	3:4:3:	3:4:2:1:	3:4:3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6]-4:O[6,6]-2:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]O[6,6]H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2C)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]O[6,6]H)(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(H){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2C)(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	111.9260	0.000	1	112.1218	0.018	5	112.1387	0.016	6	111.8597	0.773	13	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	3:4:3:	3:4:2:1:	4:3:3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6]-4:O[6,6]-2:H-1:	C[4x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a](C[6,6,6a]C[4x6]C[6a])(C[3x6]C[6,6]O[6,6]H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[3x6]HH)(O[6,6]C[6,6])(H)	C[6,6,6a](C[4x6]C[3x6]C[6,6]C[6])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[4x6]C[6a])(C[3x6]C[6,6]O[6,6]H)(C[6a]C[6a]H){1|C<3>,3|H<1>,4|C<4>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[3x6]HH)(O[6,6]C[6,6])(H){2|C<3>,2|C<4>,4|H<1>}	C[6,6,6a](C[4x6]C[3x6]C[6,6]C[6])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<3>,2|O<2>,3|C<4>,7|H<1>}	111.9320	0.000	1	111.9320	0.000	1	112.0225	0.016	2	112.0225	0.016	2	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	3:4:3:	3:4:2:1:	4:3:3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6]-4:O[6,6]-2:H-1:	C[4x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a](C[6,6,6a]C[4x6]C[6a])(C[3x6]C[6,6]O[6,6]H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[3x6]HH)(O[6,6]C[6,6])(H)	C[6,6,6a](C[4x6]C[3x6]C[6,6]C[6])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]O)	C[6,6,6a](C[6,6,6a]C[4x6]C[6a])(C[3x6]C[6,6]O[6,6]H)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[3x6]HH)(O[6,6]C[6,6])(H){2|C<3>,2|C<4>,4|H<1>}	C[6,6,6a](C[4x6]C[3x6]C[6,6]C[6])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]O){1|C<3>,2|O<2>,3|C<4>,7|H<1>}	112.1130	0.000	1	112.1130	0.000	1	112.0225	0.016	2	112.0225	0.016	2	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	3:4:3:	3:4:2:4:	3:4:3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6]-4:O[6,6]-2:C-4:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]O[6,6]C)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(CH3)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]O[6,6]C)(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(CH3){1|C<4>,2|C<3>,5|H<1>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2C[6a])(C[6a]C[6a]H){1|O<2>,2|C<4>,3|C<3>,6|H<1>}	113.4140	0.000	1	113.4140	0.000	1	113.0875	0.213	2	113.0875	0.213	2	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	3:4:3:	3:4:2:4:	3:4:3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6]-4:O[6,6]-2:C-4:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]O[6,6]C)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(CH3)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]O[6,6]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,5|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(CH3){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|O<2>,3|H<1>}	112.7610	0.000	1	112.7610	0.000	1	113.0875	0.213	2	113.0875	0.213	2	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	3:4:3:	3:4:3:1:	3:4:3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[5,6,6]-4:C[6,6]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6,6,6a]-3:	C[6,6,6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[3x6]C[5,6,6]C[6,6]H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]H)(H)	C[6,6,6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[3x6]C[5,6,6]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])	C[6,6,6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[3x6]C[5,6,6]C[6,6]H)(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]H)(H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[6,6,6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[3x6]C[5,6,6]C[6,6]H)(C[6,6,6a]C[3x6]C[6a]){3|C<4>,4|C<3>,5|H<1>}	112.8380	0.208	2	112.8380	0.043	2	112.8380	0.043	2	112.9134	0.361	14	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	3:4:3:	3:4:3:1:	3:4:3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6,6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6,6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6,6a]H){1|C<4>,3|C<3>,5|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){1|C<4>,2|C<3>,4|H<1>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6,6a]H){1|C<4>,3|C<3>,5|H<1>}	112.9505	0.234	4	112.9505	0.055	4	113.1946	0.183	9	112.9134	0.361	14	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	3:4:3:	3:4:3:1:	3:4:3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]CN)(C[6,6]C[6,6]H)(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2C)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]H){1|C<2>,1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]CN)(C[6,6]C[6,6]H)(H){1|C<4>,2|C<3>,4|H<1>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2C)(C[6a]C[6a]H){1|C<4>,2|C<3>,6|H<1>}	113.6810	0.000	1	113.6810	0.000	1	113.1946	0.183	9	112.9134	0.361	14	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	3:4:3:	3:4:3:1:	3:4:3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HO)(C[6,6]O[6,6]C)(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]O[6,6]C)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HO)(C[6,6]O[6,6]C)(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]O[6,6]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,5|H<1>}	112.5950	0.000	1	112.5950	0.000	1	113.1946	0.183	9	112.9134	0.361	14	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	3:4:3:	3:4:3:1:	3:4:3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]N[5]C)(C[6,6]C[6,6]H)(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2C)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]H){1|C<2>,1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]N[5]C)(C[6,6]C[6,6]H)(H){2|C<3>,3|C<4>,4|H<1>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2C)(C[6a]C[6a]H){1|C<4>,2|C<3>,6|H<1>}	113.3550	0.000	1	113.3550	0.000	1	113.1946	0.183	9	112.9134	0.361	14	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	3:4:3:	3:4:3:1:	3:4:3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]N[6]C)(C[6,6]C[6,6]H)(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2C)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]H){1|C<2>,1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]N[6]C)(C[6,6]C[6,6]H)(H){2|C<3>,3|C<4>,4|H<1>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2C)(C[6a]C[6a]H){1|C<4>,2|C<3>,6|H<1>}	113.7160	0.000	1	113.7160	0.000	1	113.1946	0.183	9	112.9134	0.361	14	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	3:4:3:	3:4:3:1:	3:4:3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]O)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2O)(C[6a]C[6a]O)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]O){1|C<4>,2|C<3>,2|O<2>,4|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2O)(C[6a]C[6a]O){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	113.6020	0.000	1	113.6020	0.000	1	113.1946	0.183	9	112.9134	0.361	14	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	3:4:3:	3:4:3:1:	3:4:3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6]-4:N[6,6]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]N[6,6]H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)(N[6,6]C[6,6]S)(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]N[6,6]H)(C[6a]C[6a]H){1|C<3>,1|S<4>,2|C<4>,5|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)(N[6,6]C[6,6]S)(H){1|C<4>,2|C<3>,5|H<1>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,7|H<1>}	112.4740	0.000	1	112.4740	0.000	1	112.4740	0.000	1	112.9134	0.361	14	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	3:4:3:	3:4:3:1:	3:4:3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6]-4:N[6,6]-3:H-1:	C[6,6,6a]-3:C[4x6]-4:C[6a]-3:	C[6,6,6a](C[6,6,6a]C[4x6]C[6a])(C[3x6]C[6,6]N[6,6]H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[3x6]HH)(N[6,6]C[3x6]C)(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[4x6]C[3x6]2H)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[4x6]C[6a])(C[3x6]C[6,6]N[6,6]H)(C[6a]C[6a]H){1|C<3>,3|C<4>,5|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[3x6]HH)(N[6,6]C[3x6]C)(H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[4x6]C[3x6]2H)(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	111.5000	0.000	1	111.9430	0.392	2	111.9430	0.392	2	112.9134	0.361	14	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	3:4:3:	3:4:3:1:	3:4:3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6]-4:N[6,6]-3:H-1:	C[6,6,6a]-3:C[4x6]-4:C[6a]-3:	C[6,6,6a](C[6,6,6a]C[4x6]C[6a])(C[3x6]C[6,6]N[6,6]H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[3x6]HH)(N[6,6]C[3x6]C)(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[4x6]C[3x6]2H)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[4x6]C[6a])(C[3x6]C[6,6]N[6,6]H)(C[6a]C[6a]H){2|C<3>,2|C<4>,5|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[3x6]HH)(N[6,6]C[3x6]C)(H){1|H<1>,2|C<3>,5|C<4>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[4x6]C[3x6]2H)(C[6a]C[6a]H){1|C<3>,1|N<3>,3|H<1>,5|C<4>}	112.3860	0.000	1	111.9430	0.392	2	111.9430	0.392	2	112.9134	0.361	14	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	3:4:3:	3:4:3:1:	4:3:3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[5,6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6a,6a]-3:C[6,6,6a]-3:	C[6,6,6a](C[6,6,6a]C[6a,6a]C[3x6])(C[3x6]C[5,6,6]C[6,6]H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]H)(H)	C[6,6,6a](C[3x6]C[5,6,6]C[6,6]H)(C[6a,6a]C[6a,6a]C[6a])(C[6,6,6a]C[3x6]C[6a])	C[6,6,6a](C[6,6,6a]C[6a,6a]C[3x6])(C[3x6]C[5,6,6]C[6,6]H)(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]H)(H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[6,6,6a](C[3x6]C[5,6,6]C[6,6]H)(C[6a,6a]C[6a,6a]C[6a])(C[6,6,6a]C[3x6]C[6a]){1|C<4>,5|C<3>,5|H<1>}	113.6430	0.000	1	113.6430	0.000	1	113.6430	0.000	1	113.8640	0.050	3	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	3:4:3:	3:4:3:1:	4:3:3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-3:H-1:	C[5,3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a](C[6,6,6a]C[5,3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]H)(H)	C[6,6,6a](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[5,3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]H){1|C<4>,3|C<3>,5|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]H)(H){1|C<4>,2|H<1>,3|C<3>}	C[6,6,6a](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){2|C<4>,4|C<3>,5|H<1>}	113.9745	0.165	2	113.9745	0.027	2	113.9745	0.027	2	113.8640	0.050	3	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	3:4:3:	3:4:3:2:	3:4:3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-3:O-2:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2O)(C[6a]C[6a]O)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(OC)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]O)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2O)(C[6a]C[6a]O){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(OC){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]O){1|C<4>,2|C<3>,2|O<2>,4|H<1>}	111.8250	0.000	1	111.8250	0.000	1	111.8250	0.000	1	111.8250	0.000	1	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	3:4:3:	3:4:3:3:	3:4:3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-3:C-3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2C)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(CCO)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2C)(C[6a]C[6a]H){1|C<4>,2|C<3>,6|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(CCO){1|C<2>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]H){1|C<2>,1|C<4>,1|N<3>,3|C<3>,3|H<1>}	112.3107	0.187	3	112.3107	0.035	3	112.3107	0.035	3	112.3107	0.035	3	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	3:4:3:	3:4:3:3:	4:3:3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-3:C[6a]-3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6,6]O[6,6]O)(C[6a]C[6a]2)	C[6,6,6a](C[3x6]C[6,6]O[6,6]C[6])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2C[6a])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6,6]O[6,6]O)(C[6a]C[6a]2){1|C<4>,4|C<3>,5|H<1>}	C[6,6,6a](C[3x6]C[6,6]O[6,6]C[6])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){3|C<3>,3|C<4>,5|H<1>}	113.3365	0.124	2	113.3365	0.015	2	113.3365	0.015	2	113.3365	0.015	2	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	3:4:3:	3:4:3:4:	3:4:3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-3:C-4:	C[6,6,6a]-3:C[3x6]-4:C[6,6a]-3:	C[6,6,6a](C[6,6,6a]C[6,6a]C[3x6])(C[3x6]C[6,6]2C)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6,6]O[6,6]O)(CH3)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]O[6,6]H)(C[6,6a]C[6,6a]C[6])	C[6,6,6a](C[6,6,6a]C[6,6a]C[3x6])(C[3x6]C[6,6]2C)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|O<2>,3|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6,6]O[6,6]O)(CH3){1|C<4>,2|C<3>,3|H<1>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]O[6,6]H)(C[6,6a]C[6,6a]C[6]){1|O<1>,2|C<4>,3|H<1>,4|C<3>}	113.9668	0.818	5	113.9668	0.669	5	113.9668	0.669	5	113.5000	0.500	12	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	3:4:3:	3:4:3:4:	3:4:3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-3:C-4:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2C)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C[6a]C)(C[6,6]O[6,6]O)(CH3)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]O[6,6]H)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2C)(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C[6a]C)(C[6,6]O[6,6]O)(CH3){1|C<4>,3|H<1>,4|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]O[6,6]H)(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	113.3620	0.000	1	113.3620	0.000	1	113.2857	0.071	6	113.5000	0.500	12	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	3:4:3:	3:4:3:4:	3:4:3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-3:C-4:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2C)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C[6a]H)(C[6,6]O[6,6]O)(CH3)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]O[6,6]H)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2C)(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C[6a]H)(C[6,6]O[6,6]O)(CH3){1|C<4>,3|H<1>,4|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]O[6,6]H)(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	113.3123	0.323	4	113.2704	0.087	5	113.2857	0.071	6	113.5000	0.500	12	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	3:4:3:	3:4:3:4:	3:4:3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-3:C-4:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2C)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C[6a]H)(C[6,6]O[6,6]O)(CH3)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]O[6,6]H)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2C)(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C[6a]H)(C[6,6]O[6,6]O)(CH3){2|C<4>,2|H<1>,4|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]O[6,6]H)(C[6a]C[6a]H){2|C<3>,3|C<4>,3|H<1>}	113.1030	0.000	1	113.2704	0.087	5	113.2857	0.071	6	113.5000	0.500	12	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	3:4:3:	3:4:3:4:	3:4:3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6]-4:N[6,6]-3:C-4:	C[6,6,6a]-3:C[4x6]-4:C[6a]-3:	C[6,6,6a](C[6,6,6a]C[4x6]C[6a])(C[3x6]C[6,6]N[6,6]C)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[3x6]HH)(N[6,6]C[3x6]C)(CH3)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[4x6]C[3x6]2H)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[4x6]C[6a])(C[3x6]C[6,6]N[6,6]C)(C[6a]C[6a]H){1|C<3>,3|C<4>,5|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[3x6]HH)(N[6,6]C[3x6]C)(CH3){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[4x6]C[3x6]2H)(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,3|C<4>,3|H<1>}	112.4520	0.000	1	112.4520	0.000	1	112.4520	0.000	1	113.5000	0.500	12	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	3:4:3:	3:4:4:1:	3:3:3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-4:H-1:	C[6,6,6a]-3:N[3x6]-3:C[6a]-3:	C[6,6,6a](C[6,6,6a]N[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)2(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(N[3x6]C[6,6]2)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]N[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]H){1|C<2>,1|C<3>,2|C<4>,5|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)2(H){1|N<3>,2|C<3>,5|H<1>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(N[3x6]C[6,6]2)(C[6a]C[6a]H){1|C<3>,2|C<4>,7|H<1>}	112.2810	0.000	1	112.2810	0.000	1	112.2810	0.000	1	112.2810	0.000	1	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	3:4:3:	3:4:4:1:	3:4:3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[3x6]-4:C[6,6]-4:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[3x6]C[6,6]H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]HH)(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[3x6]C[6,6]C)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[3x6]C[6,6]H)(C[6a]C[6a]H){2|C<4>,3|C<3>,5|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]HH)(H){1|C<4>,1|O<1>,3|H<1>,5|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[3x6]C[6,6]C)(C[6a]C[6a]H){2|C<4>,3|C<3>,5|H<1>}	114.9540	0.000	1	114.9540	0.000	1	114.9540	0.000	1	113.0935	0.351	25	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	3:4:3:	3:4:4:1:	3:4:3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-4:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[5,6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]CC)(C[6,6]C[6,6]CH)(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[5,6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[5,6a]H){1|O<2>,3|C<3>,3|C<4>,3|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]CC)(C[6,6]C[6,6]CH)(H){1|C<4>,2|C<3>,5|H<1>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[5,6a]H){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	112.9880	0.000	1	112.9880	0.000	1	113.0274	0.228	22	113.0935	0.351	25	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	3:4:3:	3:4:4:1:	3:4:3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-4:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[5,6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)2(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[5,6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[5,6a]H){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)2(H){2|C<4>,2|H<1>,4|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[5,6a]H){1|O<2>,3|C<3>,3|C<4>,3|H<1>}	113.1180	0.000	1	113.1180	0.000	1	113.0274	0.228	22	113.0935	0.351	25	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	3:4:3:	3:4:4:1:	3:4:3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-4:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a,6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]BrH)(C[6,6]C[6,6]HH)(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a,6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a,6a]H){1|Br<1>,2|C<3>,2|C<4>,5|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]BrH)(C[6,6]C[6,6]HH)(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a,6a]H){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	112.9755	0.053	2	112.9755	0.003	2	113.0274	0.228	22	113.0935	0.351	25	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	3:4:3:	3:4:4:1:	3:4:3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-4:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a,6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]HO)(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a,6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a,6a]H){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]HO)(H){1|Br<1>,1|C<4>,2|C<3>,4|H<1>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a,6a]H){1|Br<1>,2|C<3>,2|C<4>,5|H<1>}	112.5525	0.317	2	112.5525	0.101	2	113.0274	0.228	22	113.0935	0.351	25	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	3:4:3:	3:4:4:1:	3:4:3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-4:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]F)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]IrH)2(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]F)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]F){1|Ir<7>,1|C<3>,2|C<4>,2|F<1>,3|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]IrH)2(H){1|C<4>,1|F<1>,2|C<3>,2|H<1>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]F){1|Ir<7>,1|C<3>,2|C<4>,2|F<1>,3|H<1>}	113.3783	0.416	4	113.3783	0.173	4	113.0274	0.228	22	113.0935	0.351	25	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	3:4:3:	3:4:4:1:	3:4:3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-4:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]Br2)(C[6,6]C[6,6]BrH)(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]H){3|Br<1>,1|C<3>,2|C<4>,4|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]Br2)(C[6,6]C[6,6]BrH)(H){1|Br<1>,1|C<4>,2|C<3>,4|H<1>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]H){1|Br<1>,1|C<3>,2|C<4>,6|H<1>}	112.6430	0.000	1	112.8355	0.074	2	113.0274	0.228	22	113.0935	0.351	25	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	3:4:3:	3:4:4:1:	3:4:3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-4:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]Br2)(C[6,6]C[6,6]BrH)(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]H){3|Br<1>,1|C<3>,2|C<4>,4|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]Br2)(C[6,6]C[6,6]BrH)(H){2|Br<1>,1|C<4>,2|C<3>,3|H<1>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]H){2|Br<1>,1|C<3>,2|C<4>,5|H<1>}	113.0280	0.000	1	112.8355	0.074	2	113.0274	0.228	22	113.0935	0.351	25	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	3:4:3:	3:4:4:1:	3:4:3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-4:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]BrH)(C[6,6]C[6,6]HH)(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]H){1|Br<1>,1|C<3>,2|C<4>,6|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]BrH)(C[6,6]C[6,6]HH)(H){3|Br<1>,1|C<4>,2|C<3>,2|H<1>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]H){3|Br<1>,1|C<3>,2|C<4>,4|H<1>}	113.5150	0.000	1	113.5150	0.000	1	113.0274	0.228	22	113.0935	0.351	25	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	3:4:3:	3:4:4:1:	3:4:3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-4:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]BrH)2(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]H){2|Br<1>,1|C<3>,2|C<4>,5|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]BrH)2(H){3|Br<1>,1|C<4>,2|C<3>,2|H<1>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]H){3|Br<1>,1|C<3>,2|C<4>,4|H<1>}	112.1630	0.000	1	112.1630	0.000	1	113.0274	0.228	22	113.0935	0.351	25	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	3:4:3:	3:4:4:1:	3:4:3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-4:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]CC)(C[6,6]C[6,6]CH)(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]H){3|C<3>,3|C<4>,4|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]CC)(C[6,6]C[6,6]CH)(H){1|C<4>,2|C<3>,5|H<1>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]H){1|C<3>,2|C<4>,7|H<1>}	113.1520	0.000	1	113.1520	0.000	1	113.0274	0.228	22	113.0935	0.351	25	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	3:4:3:	3:4:4:1:	3:4:3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-4:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(C[6,6]N[6,6]HH)(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]N[6,6]H)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]H){1|N<4>,2|C<3>,2|C<4>,5|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(C[6,6]N[6,6]HH)(H){2|C<4>,4|C<3>,4|H<1>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]N[6,6]H)(C[6a]C[6a]H){1|C<3>,3|C<4>,6|H<1>}	111.8800	0.000	1	111.8800	0.000	1	113.0274	0.228	22	113.0935	0.351	25	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	3:4:3:	3:4:4:1:	3:4:3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-4:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]CrH)2(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]H){1|Cr<8>,1|C<3>,2|C<4>,5|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]CrH)2(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]H){1|Cr<8>,1|C<3>,2|C<4>,5|H<1>}	113.1100	0.089	2	113.1100	0.008	2	113.0274	0.228	22	113.0935	0.351	25	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	3:4:3:	3:4:4:1:	3:4:3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-4:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6,6]N[6,6]HH)(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]N[6,6]H)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,7|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6,6]N[6,6]HH)(H){1|C<4>,1|S<4>,2|C<3>,3|H<1>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]N[6,6]H)(C[6a]C[6a]H){1|C<3>,1|S<4>,2|C<4>,5|H<1>}	113.1800	0.000	1	113.1800	0.000	1	113.0274	0.228	22	113.0935	0.351	25	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	3:4:3:	3:4:4:1:	3:4:3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-4:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)2(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]H){1|C<3>,2|C<4>,7|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)2(H){2|C<4>,2|H<1>,4|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]H){3|C<3>,3|C<4>,4|H<1>}	113.0600	0.000	1	113.0600	0.000	1	113.0274	0.228	22	113.0935	0.351	25	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	3:4:3:	3:4:4:1:	3:4:3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-4:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]O)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)2(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]O)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]O){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)2(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]O){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	113.2560	0.000	1	113.2560	0.000	1	113.0274	0.228	22	113.0935	0.351	25	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	3:4:3:	3:4:4:1:	3:4:3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-4:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]O)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)2(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2O)(C[6a]C[6a]O)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]O){1|C<3>,2|C<4>,2|O<2>,5|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)2(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2O)(C[6a]C[6a]O){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	113.8300	0.000	1	113.8300	0.000	1	113.0274	0.228	22	113.0935	0.351	25	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	3:4:3:	3:4:4:1:	3:4:3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-4:H-1:	C[6,6,6a]-3:C[5,3x6]-4:C[6a]-3:	C[6,6,6a](C[6,6,6a]C[5,3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[5,6,6]CH)(C[6,6]C[5,6,6]HH)(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[5,3x6]C[5,6,6]2H)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[5,3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]H){1|C<3>,3|C<4>,6|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[5,6,6]CH)(C[6,6]C[5,6,6]HH)(H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[5,3x6]C[5,6,6]2H)(C[6a]C[6a]H){1|C<3>,1|N<3>,3|C<4>,5|H<1>}	112.8510	0.000	1	112.8510	0.000	1	112.8510	0.000	1	113.0935	0.351	25	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	3:4:3:	3:4:4:1:	3:4:3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6]-4:N[6,6]-4:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]N[6,6]H)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)(N[6,6]C[6,6]CH)(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]N[6,6]H)(C[6a]C[6a]H){1|C<3>,3|C<4>,6|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)(N[6,6]C[6,6]CH)(H){2|C<4>,3|C<3>,3|H<1>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]H){1|N<4>,2|C<3>,2|C<4>,5|H<1>}	112.9310	0.000	1	112.9310	0.000	1	112.9310	0.000	1	113.0935	0.351	25	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	3:4:3:	3:4:4:2:	3:4:3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-4:O-2:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2O)(C[6a]C[6a]O)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)2(OC)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]O)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2O)(C[6a]C[6a]O){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)2(OC){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]O){1|C<3>,2|C<4>,2|O<2>,5|H<1>}	112.3190	0.000	1	112.3190	0.000	1	112.3190	0.000	1	112.3190	0.000	1	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	3:4:3:	3:4:4:3:	3:4:3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6]-4:C[3x6]-4:C-3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[3x6]C[6,6]C)(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C[6a]H)(C[3x6]C[3x6]C[6]H)(CC[6a]O)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[3x6]C[6,6]H)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[3x6]C[6,6]C)(C[6a]C[6a]H){2|C<4>,3|C<3>,5|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C[6a]H)(C[3x6]C[3x6]C[6]H)(CC[6a]O){1|C<4>,1|O<1>,4|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[3x6]C[6,6]H)(C[6a]C[6a]H){2|C<4>,3|C<3>,5|H<1>}	112.4930	0.000	1	112.4930	0.000	1	112.4930	0.000	1	112.5460	0.006	2	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	3:4:3:	3:4:4:3:	3:4:3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-4:C[6a]-3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6,6]O[6,6]HH)(C[6a]C[6a]2)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]O[6,6]C)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2C[6a])(C[6a]C[6a]H){1|O<2>,2|C<4>,3|C<3>,6|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6,6]O[6,6]HH)(C[6a]C[6a]2){1|C<4>,4|C<3>,5|H<1>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]O[6,6]C)(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	112.5990	0.000	1	112.5990	0.000	1	112.5990	0.000	1	112.5460	0.006	2	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	3:4:3:	4:3:3:1:	3:4:3:	C[6,6,6a]-3:C[3x6]-4:C[6,6,6a]-3:	C[5,6,6]-4:C[6,6,6a]-3:C[6,6]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[3x6]C[5,6,6]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6,6a]C[6,6,6a]2)(C[6,6]C[6,6]H)(H)	C[6,6,6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[3x6]C[5,6,6]C[6,6]H)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[3x6]C[5,6,6]C[6,6]H)(C[6,6,6a]C[3x6]C[6a]){3|C<4>,4|C<3>,5|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6,6a]C[6,6,6a]2)(C[6,6]C[6,6]H)(H){1|N<3>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[6,6,6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[3x6]C[5,6,6]C[6,6]H)(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	112.9380	0.266	2	112.9380	0.071	2	112.9380	0.071	2	112.9380	0.071	2	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	4:3:3:	3:3:2:1:	4:3:3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:N[6,6]-2:H-1:	C[5,3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a](C[3x6]C[6,6,6a]N[6,6]H)(C[6,6,6a]C[5,3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(N[6,6]C[5,6,6])(H)	C[6,6,6a](C[5,3x6]C[6,6,6a]C[5,6,6]S[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]N[6,6]H)(C[6,6,6a]C[5,3x6]C[6a])(C[6a]C[6a]H){1|S<2>,2|H<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(N[6,6]C[5,6,6])(H){1|C<4>,2|H<1>,5|C<3>}	C[6,6,6a](C[5,3x6]C[6,6,6a]C[5,6,6]S[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|N<2>,3|H<1>,5|C<3>}	112.9383	0.223	4	112.9383	0.050	4	112.9383	0.050	4	112.9383	0.050	4	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	4:3:3:	3:3:2:2:	4:3:3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:O[6,6]-2:C-2:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a](C[3x6]C[6,6,6a]O[6,6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a,6a]C[6a])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(O[6,6]O[6,6])(CC)	C[6,6,6a](C[3x6]C[6,6,6a]O[6,6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a,6a]C[6a])	C[6,6,6a](C[3x6]C[6,6,6a]O[6,6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a,6a]C[6a]){1|C<2>,1|O<2>,7|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(O[6,6]O[6,6])(CC){1|C<4>,1|H<1>,5|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]O[6,6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a,6a]C[6a]){1|C<2>,1|O<2>,7|C<3>}	111.5105	0.233	2	111.5105	0.054	2	112.0090	0.394	4	112.0090	0.394	4	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	4:3:3:	3:3:2:2:	4:3:3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:O[6,6]-2:C-2:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a](C[3x6]C[6,6,6a]O[6,6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(O[6,6]O[6,6])(CC)	C[6,6,6a](C[3x6]C[6,6,6a]O[6,6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]O[6,6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<2>,1|O<2>,2|H<1>,3|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(O[6,6]O[6,6])(CC){1|C<4>,1|H<1>,5|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]O[6,6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<2>,1|O<2>,2|H<1>,3|C<3>}	112.5075	0.364	2	112.5075	0.133	2	112.0090	0.394	4	112.0090	0.394	4	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	4:3:3:	3:3:2:3:	4:3:3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:O[6,6]-2:C[6a]-3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a](C[3x6]C[6,6,6a]O[6,6]C[6a])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a,6a]C[6a])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(O[6,6]O[6,6])(C[6a]C[6a]2)	C[6,6,6a](C[3x6]C[6,6,6a]O[6,6]C[6a])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a,6a]C[6a])	C[6,6,6a](C[3x6]C[6,6,6a]O[6,6]C[6a])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a,6a]C[6a]){10|C<3>,1|O<2>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(O[6,6]O[6,6])(C[6a]C[6a]2){1|C<4>,3|H<1>,7|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]O[6,6]C[6a])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a,6a]C[6a]){10|C<3>,1|O<2>}	111.5997	0.150	10	111.5997	0.022	10	112.2319	0.440	20	112.2319	0.440	20	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	4:3:3:	3:3:2:3:	4:3:3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:O[6,6]-2:C[6a]-3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a](C[3x6]C[6,6,6a]O[6,6]C[6a])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(O[6,6]O[6,6])(C[6a]C[6a]2)	C[6,6,6a](C[3x6]C[6,6,6a]O[6,6]C[6a])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]O[6,6]C[6a])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|O<2>,2|H<1>,6|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(O[6,6]O[6,6])(C[6a]C[6a]2){1|C<4>,3|H<1>,7|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]O[6,6]C[6a])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|O<2>,2|H<1>,6|C<3>}	112.8641	0.135	10	112.8641	0.018	10	112.2319	0.440	20	112.2319	0.440	20	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	4:3:3:	3:3:2:4:	4:3:3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:O[6,6]-2:C-4:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a](C[3x6]C[6,6,6a]O[6,6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(O[6,6]N[6,6])(CH3)	C[6,6,6a](C[3x6]C[6,6,6a]N[6,6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]O[6,6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(O[6,6]N[6,6])(CH3){1|C<4>,2|H<1>,5|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]N[6,6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	112.6295	0.965	2	112.6295	0.932	2	112.2397	0.238	12	112.4611	0.524	14	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	4:3:3:	3:3:2:4:	4:3:3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:O[6,6]-2:C-4:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a](C[3x6]C[6,6,6a]O[6,6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(O[6,6]O[6,6])(CH3)	C[6,6,6a](C[3x6]C[6,6,6a]O[6,6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]O[6,6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(O[6,6]O[6,6])(CH3){1|C<4>,2|H<1>,4|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]O[6,6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	112.6115	0.156	2	112.6115	0.024	2	112.2397	0.238	12	112.4611	0.524	14	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	4:3:3:	3:3:2:4:	4:3:3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:O[6,6]-2:C-4:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a](C[3x6]C[6,6,6a]O[6,6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(O[6,6]O[6,6])(CHHN)	C[6,6,6a](C[3x6]C[6,6,6a]O[6,6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]O[6,6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(O[6,6]O[6,6])(CHHN){1|C<4>,2|H<1>,4|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]O[6,6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	112.0493	0.336	8	112.0493	0.113	8	112.2397	0.238	12	112.4611	0.524	14	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	4:3:3:	3:3:2:4:	4:3:3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:O[6,6]-2:C-4:	C[5,3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a](C[3x6]C[6,6,6a]O[6,6]C)(C[6,6,6a]C[5,3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(O[6,6]N[5,6,6])(CH3)	C[6,6,6a](C[5,3x6]C[6,6,6a]N[5,6,6]C[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]O[6,6]C)(C[6,6,6a]C[5,3x6]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(O[6,6]N[5,6,6])(CH3){1|C<4>,2|H<1>,5|C<3>}	C[6,6,6a](C[5,3x6]C[6,6,6a]N[5,6,6]C[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|O<2>,2|C<4>,4|C<3>,4|H<1>}	113.7895	0.265	2	113.7895	0.070	2	113.7895	0.070	2	112.4611	0.524	14	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	4:3:3:	3:3:3:1:	4:3:3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[5a,6,6]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a](C[3x6]C[5a,6,6]C[6,6,6a]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a,6a]H)	C[3x6](C[5a,6,6]C[5a,6,6]C[5a])(C[6,6,6a]C[6,6,6a]C[6a])2(H)	C[6,6,6a](C[3x6]C[5a,6,6]C[6,6,6a]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a,6a]H)	C[6,6,6a](C[3x6]C[5a,6,6]C[6,6,6a]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a,6a]H){2|H<1>,6|C<3>}	C[3x6](C[5a,6,6]C[5a,6,6]C[5a])(C[6,6,6a]C[6,6,6a]C[6a])2(H){1|C<4>,1|N<3>,2|H<1>,6|C<3>}	C[6,6,6a](C[3x6]C[5a,6,6]C[6,6,6a]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a,6a]H){2|H<1>,6|C<3>}	113.1196	0.670	16	113.1196	0.448	16	113.6457	0.585	47	113.2700	0.736	352	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	4:3:3:	3:3:3:1:	4:3:3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[5a,6,6]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a](C[3x6]C[5a,6,6]C[6,6,6a]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[5a,6,6]C[5a,6,6]C[5a])(C[6,6,6a]C[6,6,6a]C[6a])2(H)	C[6,6,6a](C[3x6]C[5a,6,6]C[6,6,6a]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[5a,6,6]C[6,6,6a]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[3x6](C[5a,6,6]C[5a,6,6]C[5a])(C[6,6,6a]C[6,6,6a]C[6a])2(H){1|C<4>,1|N<3>,2|H<1>,6|C<3>}	C[6,6,6a](C[3x6]C[5a,6,6]C[6,6,6a]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	113.4924	0.287	8	113.4924	0.082	8	113.6457	0.585	47	113.2700	0.736	352	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	4:3:3:	3:3:3:1:	4:3:3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[5a,6,6]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a](C[3x6]C[5a,6,6]C[6,6,6a]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[5a,6,6]C[5a,6,6]N[5a])(C[6,6,6a]C[6,6,6a]C[6a])2(H)	C[6,6,6a](C[3x6]C[5a,6,6]C[6,6,6a]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[5a,6,6]C[6,6,6a]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|N<2>,3|H<1>,4|C<3>}	C[3x6](C[5a,6,6]C[5a,6,6]N[5a])(C[6,6,6a]C[6,6,6a]C[6a])2(H){1|C<4>,1|N<2>,1|N<3>,2|H<1>,4|C<3>}	C[6,6,6a](C[3x6]C[5a,6,6]C[6,6,6a]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|N<2>,3|H<1>,4|C<3>}	114.0651	0.705	23	114.0651	0.497	23	113.6457	0.585	47	113.2700	0.736	352	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	4:3:3:	3:3:3:1:	4:3:3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:B[6,6]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a](C[3x6]C[6,6,6a]B[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a,6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(B[6,6]B[6,6]N)(H)	C[6,6,6a](C[3x6]C[6,6,6a]B[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a,6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]B[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a,6a]H){1|B<3>,1|N<3>,2|H<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(B[6,6]B[6,6]N)(H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]B[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a,6a]H){1|B<3>,1|N<3>,2|H<1>,4|C<3>}	115.2108	0.311	4	115.2108	0.097	4	115.4301	0.116	8	113.2700	0.736	352	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	4:3:3:	3:3:3:1:	4:3:3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:B[6,6]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a](C[3x6]C[6,6,6a]B[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(B[6,6]B[6,6]N)(H)	C[6,6,6a](C[3x6]C[6,6,6a]B[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]B[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|B<3>,1|N<3>,3|C<3>,3|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(B[6,6]B[6,6]N)(H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]B[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|B<3>,1|N<3>,3|C<3>,3|H<1>}	115.4700	0.035	2	115.6495	0.046	4	115.4301	0.116	8	113.2700	0.736	352	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	4:3:3:	3:3:3:1:	4:3:3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:B[6,6]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a](C[3x6]C[6,6,6a]B[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(B[6,6]B[6,6]N)(H)	C[6,6,6a](C[3x6]C[6,6,6a]B[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]B[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|B<4>,1|N<3>,3|C<3>,3|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(B[6,6]B[6,6]N)(H){1|C<4>,2|H<1>,2|N<4>,4|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]B[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|B<3>,2|N<4>,3|C<3>,3|H<1>}	115.8290	0.089	2	115.6495	0.046	4	115.4301	0.116	8	113.2700	0.736	352	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	4:3:3:	3:3:3:1:	4:3:3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[3x6]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a](C[3x6]C[6,6,6a]C[3x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[3x6]C[3x6]C[6])(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[3x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[3x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[3x6]C[3x6]C[6])(H){1|C<4>,1|O<1>,2|H<1>,6|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[3x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	113.1580	0.347	4	113.1243	0.070	23	113.1243	0.070	23	113.2700	0.736	352	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	4:3:3:	3:3:3:1:	4:3:3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[3x6]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a](C[3x6]C[6,6,6a]C[3x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[3x6]C[3x6]C[6])(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[3x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[3x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[3x6]C[3x6]C[6])(H){1|C<4>,1|O<1>,2|H<1>,6|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[3x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	113.0622	0.240	16	113.1243	0.070	23	113.1243	0.070	23	113.2700	0.736	352	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	4:3:3:	3:3:3:1:	4:3:3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[3x6]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a](C[3x6]C[6,6,6a]C[3x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[3x6]C[3x6]C[6])(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[3x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[3x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[3x6]C[3x6]C[6])(H){2|C<4>,3|H<1>,5|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[3x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	113.4103	0.053	3	113.1243	0.070	23	113.1243	0.070	23	113.2700	0.736	352	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	4:3:3:	3:3:3:1:	4:3:3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[3x6]-3:H-1:	C[5x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a](C[3x6]C[6,6,6a]C[3x6]H)(C[6,6,6a]C[5x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[3x6]C[5x6]Si[6])(H)	C[6,6,6a](C[5x6]C[6,6,6a]C[5,3x6]C[5x6])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[3x6]H)(C[6,6,6a]C[5x6]C[6a])(C[6a]C[6a]H){1|Si<4>,1|C<4>,2|H<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[3x6]C[5x6]Si[6])(H){2|H<1>,4|C<4>,5|C<3>}	C[6,6,6a](C[5x6]C[6,6,6a]C[5,3x6]C[5x6])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,7|C<3>}	113.0330	0.000	1	113.3060	0.149	2	113.3060	0.149	2	113.2700	0.736	352	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	4:3:3:	3:3:3:1:	4:3:3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[3x6]-3:H-1:	C[5x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a](C[3x6]C[6,6,6a]C[3x6]H)(C[6,6,6a]C[5x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[3x6]C[5x6]Si[6])(H)	C[6,6,6a](C[5x6]C[6,6,6a]C[5,3x6]C[5x6])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[3x6]H)(C[6,6,6a]C[5x6]C[6a])(C[6a]C[6a]H){1|Si<4>,1|C<4>,2|H<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[3x6]C[5x6]Si[6])(H){2|H<1>,4|C<4>,5|C<3>}	C[6,6,6a](C[5x6]C[6,6,6a]C[5,3x6]C[5x6])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,3|H<1>,7|C<3>}	113.5790	0.000	1	113.3060	0.149	2	113.3060	0.149	2	113.2700	0.736	352	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	4:3:3:	3:3:3:1:	4:3:3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5])(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5])(H){1|O<2>,2|C<4>,2|H<1>,6|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	113.1653	0.191	4	113.1653	0.037	4	113.1653	0.037	4	113.2700	0.736	352	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	4:3:3:	3:3:3:1:	4:3:3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a,6a]C[5])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a,6a]C[5])	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a,6a]C[5]){1|Fe<10>,2|H<1>,3|C<4>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]H)(H){1|H<1>,3|C<4>,4|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a,6a]C[5]){1|Fe<10>,2|H<1>,3|C<4>,5|C<3>}	111.4755	0.162	2	111.8990	0.248	4	113.0862	0.572	228	113.2700	0.736	352	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	4:3:3:	3:3:3:1:	4:3:3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a,6a]C[5])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a,6a]C[5])	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a,6a]C[5]){1|Fe<10>,2|H<1>,3|C<4>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]H)(H){2|C<4>,2|H<1>,4|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a,6a]C[5]){1|Fe<10>,2|H<1>,3|C<4>,5|C<3>}	112.3225	0.013	2	111.8990	0.248	4	113.0862	0.572	228	113.2700	0.736	352	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	4:3:3:	3:3:3:1:	4:3:3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]C)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]C){4|C<3>,4|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]H)(H){1|H<1>,3|C<4>,4|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	112.9395	0.598	2	112.9395	0.357	2	113.0862	0.572	228	113.2700	0.736	352	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	4:3:3:	3:3:3:1:	4:3:3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]C)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]O)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]C){1|O<1>,3|H<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]O)(H){1|C<4>,1|O<1>,2|C<2>,4|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<2>,1|O<1>,2|H<1>,4|C<3>}	114.2175	0.152	4	114.2175	0.023	4	113.0862	0.572	228	113.2700	0.736	352	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	4:3:3:	3:3:3:1:	4:3:3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]Cl)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]Cl){3|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C)(H){2|Cl<1>,1|C<4>,5|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|Cl<1>,2|H<1>,5|C<3>}	113.3370	0.099	2	113.3370	0.010	2	113.0862	0.572	228	113.2700	0.736	352	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	4:3:3:	3:3:3:1:	4:3:3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[5,6,6]O)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[5,6,6]O)(H){1|C<4>,2|H<1>,6|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){3|H<1>,6|C<3>}	113.7040	0.089	2	113.7040	0.008	2	113.0862	0.572	228	113.2700	0.736	352	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	4:3:3:	3:3:3:1:	4:3:3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]2)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]2)(H){1|P<4>,2|C<4>,2|H<1>,5|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|P<4>,3|H<1>,4|C<3>}	112.0830	0.486	7	112.0830	0.237	7	113.0862	0.572	228	113.2700	0.736	352	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	4:3:3:	3:3:3:1:	4:3:3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C)(H){1|C<4>,2|H<1>,5|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	113.0950	0.277	2	113.0443	0.031	4	113.0862	0.572	228	113.2700	0.736	352	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	4:3:3:	3:3:3:1:	4:3:3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C)(H){1|C<4>,2|H<1>,5|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	112.9935	0.067	2	113.0443	0.031	4	113.0862	0.572	228	113.2700	0.736	352	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	4:3:3:	3:3:3:1:	4:3:3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]C[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C)(H){1|C<4>,2|H<1>,5|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]C[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|Fe<10>,2|C<4>,3|H<1>,5|C<3>}	113.4217	0.315	6	113.4217	0.099	6	113.0862	0.572	228	113.2700	0.736	352	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	4:3:3:	3:3:3:1:	4:3:3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]Cl)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|Cl<1>,2|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C)(H){1|C<4>,2|H<1>,5|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]Cl){3|H<1>,5|C<3>}	112.5500	0.042	2	112.5500	0.002	2	113.0862	0.572	228	113.2700	0.736	352	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	4:3:3:	3:3:3:1:	4:3:3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C)(H){1|C<4>,1|P<4>,2|H<1>,4|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|P<4>,3|H<1>,4|C<3>}	112.7145	0.134	2	112.3816	0.333	27	113.0862	0.572	228	113.2700	0.736	352	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	4:3:3:	3:3:3:1:	4:3:3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C)(H){1|C<4>,1|P<4>,2|H<1>,5|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|P<4>,3|H<1>,5|C<3>}	113.1805	0.182	2	112.3816	0.333	27	113.0862	0.572	228	113.2700	0.736	352	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	4:3:3:	3:3:3:1:	4:3:3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C)(H){2|C<4>,2|H<1>,4|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	112.1344	0.572	16	112.3816	0.333	27	113.0862	0.572	228	113.2700	0.736	352	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	4:3:3:	3:3:3:1:	4:3:3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C)(H){1|C<4>,1|S<2>,2|H<1>,4|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|S<2>,3|H<1>,4|C<3>}	112.2735	0.148	2	112.3816	0.333	27	113.0862	0.572	228	113.2700	0.736	352	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	4:3:3:	3:3:3:1:	4:3:3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C)(H){1|C<4>,2|H<1>,5|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	112.8517	0.410	3	112.3816	0.333	27	113.0862	0.572	228	113.2700	0.736	352	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	4:3:3:	3:3:3:1:	4:3:3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C)(H){1|C<4>,3|H<1>,4|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){4|C<3>,4|H<1>}	112.6310	0.236	2	112.3816	0.333	27	113.0862	0.572	228	113.2700	0.736	352	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	4:3:3:	3:3:3:1:	4:3:3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]Pd)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]P)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|Pd<4>,1|H<1>,1|P<4>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C)(H){1|C<4>,2|H<1>,5|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]Pd)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]P){3|H<1>,5|C<3>}	112.1720	0.054	2	112.1720	0.003	2	113.0862	0.572	228	113.2700	0.736	352	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	4:3:3:	3:3:3:1:	4:3:3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C[6])(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C[6])(H){1|Ru<9>,1|P<4>,2|H<1>,3|C<4>,4|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|P<4>,3|H<1>,4|C<3>}	113.0425	0.227	2	113.0425	0.052	2	113.0862	0.572	228	113.2700	0.736	352	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	4:3:3:	3:3:3:1:	4:3:3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C[6a])(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<2>,2|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C[6a])(H){1|C<4>,2|H<1>,7|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	112.9240	0.103	2	112.9240	0.011	2	113.0862	0.572	228	113.2700	0.736	352	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	4:3:3:	3:3:3:1:	4:3:3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C[6a])(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C[6a])(H){1|C<4>,1|P<4>,2|H<1>,6|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|P<4>,3|H<1>,4|C<3>}	112.5974	0.454	15	112.5974	0.206	15	113.0862	0.572	228	113.2700	0.736	352	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	4:3:3:	3:3:3:1:	4:3:3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C[6a])(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]Te)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|Te<2>,2|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C[6a])(H){1|C<4>,2|H<1>,7|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]Te)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	113.1985	0.211	2	113.1985	0.045	2	113.0862	0.572	228	113.2700	0.736	352	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	4:3:3:	3:3:3:1:	4:3:3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]C)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]H)(H){2|C<4>,2|H<1>,4|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]C){4|C<3>,4|H<1>}	112.4870	0.359	2	112.4870	0.129	2	113.0862	0.572	228	113.2700	0.736	352	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	4:3:3:	3:3:3:1:	4:3:3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){4|C<3>,4|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]H)(H){1|C<4>,2|H<1>,5|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	112.3555	0.128	2	112.5547	0.056	6	113.0862	0.572	228	113.2700	0.736	352	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	4:3:3:	3:3:3:1:	4:3:3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){4|C<3>,4|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]H)(H){1|C<4>,3|H<1>,4|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){4|C<3>,4|H<1>}	112.6543	0.218	4	112.5547	0.056	6	113.0862	0.572	228	113.2700	0.736	352	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	4:3:3:	3:3:3:1:	4:3:3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]N)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]N)(H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|N<3>,3|H<1>,4|C<3>}	113.6670	0.495	2	113.6958	0.187	78	113.0862	0.572	228	113.2700	0.736	352	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	4:3:3:	3:3:3:1:	4:3:3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]N)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|N<2>,3|H<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]N)(H){1|C<4>,1|N<2>,2|H<1>,4|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|N<2>,3|H<1>,4|C<3>}	113.3702	0.211	16	113.6958	0.187	78	113.0862	0.572	228	113.2700	0.736	352	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	4:3:3:	3:3:3:1:	4:3:3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]N)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|N<3>,3|H<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]N)(H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	114.3895	0.416	2	113.6958	0.187	78	113.0862	0.572	228	113.2700	0.736	352	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	4:3:3:	3:3:3:1:	4:3:3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]N)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|N<3>,3|H<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]N)(H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|N<3>,3|H<1>,4|C<3>}	113.7626	0.427	58	113.6958	0.187	78	113.0862	0.572	228	113.2700	0.736	352	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	4:3:3:	3:3:3:1:	4:3:3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]N)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]O)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|H<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]N)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,4|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]O){1|N<3>,3|H<1>,4|C<3>}	113.6170	0.040	2	113.6170	0.002	2	113.0862	0.572	228	113.2700	0.736	352	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	4:3:3:	3:3:3:1:	4:3:3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]O)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]C)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<2>,1|O<1>,2|H<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]O)(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]C){1|O<1>,3|H<1>,4|C<3>}	113.7993	0.179	3	113.7993	0.032	3	113.0862	0.572	228	113.2700	0.736	352	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	4:3:3:	3:3:3:1:	4:3:3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]O)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|O<1>,3|H<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]O)(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|O<1>,3|H<1>,4|C<3>}	114.0460	0.260	3	114.0460	0.067	3	113.0862	0.572	228	113.2700	0.736	352	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	4:3:3:	3:3:3:1:	4:3:3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]P)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,1|P<4>,2|H<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]P)(H){1|C<4>,2|H<1>,5|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	112.8898	0.550	8	112.8898	0.303	8	113.0862	0.572	228	113.2700	0.736	352	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	4:3:3:	3:3:3:1:	4:3:3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]P)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|P<4>,3|H<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]P)(H){1|C<4>,1|P<4>,2|H<1>,4|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|P<4>,3|H<1>,4|C<3>}	112.5612	0.641	12	112.6792	0.338	39	113.0862	0.572	228	113.2700	0.736	352	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	4:3:3:	3:3:3:1:	4:3:3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]P)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|P<4>,3|H<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]P)(H){1|C<4>,2|H<1>,5|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	112.7354	0.584	24	112.6792	0.338	39	113.0862	0.572	228	113.2700	0.736	352	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	4:3:3:	3:3:3:1:	4:3:3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]P)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|P<4>,3|H<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]P)(H){2|C<4>,2|H<1>,4|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	112.7017	0.326	3	112.6792	0.338	39	113.0862	0.572	228	113.2700	0.736	352	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	4:3:3:	3:3:3:1:	4:3:3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]S)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|S<2>,3|H<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]S)(H){1|C<4>,2|H<1>,5|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	112.6880	0.098	2	112.6880	0.010	2	113.0862	0.572	228	113.2700	0.736	352	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	4:3:3:	3:3:3:1:	4:3:3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]O)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]N)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]O){1|N<3>,3|H<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]N)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,4|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|H<1>,4|C<3>}	114.2845	0.135	2	114.2845	0.018	2	113.0862	0.572	228	113.2700	0.736	352	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	4:3:3:	3:3:3:1:	4:3:3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[5,3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[5,3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[5,6,6]C[6a])(H)	C[6,6,6a](C[5,3x6]C[6,6,6a]C[5,6,6]S[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[5,3x6]C[6a])(C[6a]C[6a]H){1|S<2>,2|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[5,6,6]C[6a])(H){1|C<4>,2|H<1>,7|C<3>}	C[6,6,6a](C[5,3x6]C[6,6,6a]C[5,6,6]S[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){3|H<1>,6|C<3>}	113.2031	0.366	16	113.2031	0.134	16	113.2970	0.160	24	113.2700	0.736	352	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	4:3:3:	3:3:3:1:	4:3:3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[5,3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[5,3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[5,6,6]C[6a])(H)	C[6,6,6a](C[5,3x6]C[6,6,6a]C[5,6,6]Se[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[5,3x6]C[6a])(C[6a]C[6a]H){1|Se<3>,2|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[5,6,6]C[6a])(H){1|C<4>,2|H<1>,7|C<3>}	C[6,6,6a](C[5,3x6]C[6,6,6a]C[5,6,6]Se[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|O<1>,3|H<1>,6|C<3>}	113.5240	0.955	2	113.5240	0.911	2	113.2970	0.160	24	113.2700	0.736	352	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	4:3:3:	3:3:3:1:	4:3:3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[5,3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[5,3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[5,6,6]H)(H)	C[6,6,6a](C[5,3x6]C[6,6,6a]C[5,6,6]C[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[5,3x6]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[5,6,6]H)(H){2|C<4>,2|H<1>,4|C<3>}	C[6,6,6a](C[5,3x6]C[6,6,6a]C[5,6,6]C[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	113.4930	0.274	2	113.4930	0.075	2	113.2970	0.160	24	113.2700	0.736	352	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	4:3:3:	3:3:3:1:	4:3:3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[5,3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[5,3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[5,6,6]H)(H)	C[6,6,6a](C[5,3x6]C[6,6,6a]C[5,6,6]S[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[5,3x6]C[6a])(C[6a]C[6a]H){1|S<2>,3|H<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[5,6,6]H)(H){1|C<4>,2|H<1>,5|C<3>}	C[6,6,6a](C[5,3x6]C[6,6,6a]C[5,6,6]S[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){3|H<1>,6|C<3>}	113.5945	0.278	2	113.5945	0.077	2	113.2970	0.160	24	113.2700	0.736	352	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	4:3:3:	3:3:3:1:	4:3:3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[5,3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[5,3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[5,6,6]H)(H)	C[6,6,6a](C[5,3x6]C[6,6,6a]C[5,6,6]Se[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[5,3x6]C[6a])(C[6a]C[6a]H){1|Se<2>,3|H<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[5,6,6]H)(H){1|C<4>,2|H<1>,5|C<3>}	C[6,6,6a](C[5,3x6]C[6,6,6a]C[5,6,6]Se[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){3|H<1>,6|C<3>}	113.3280	0.327	2	113.3280	0.107	2	113.2970	0.160	24	113.2700	0.736	352	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	4:3:3:	3:3:3:1:	4:3:3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:N[6,6]-3:H-1:	C[5,3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a](C[3x6]C[6,6,6a]N[6,6]H)(C[6,6,6a]C[5,3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(N[6,6]C[5,6,6]B)(H)	C[6,6,6a](C[5,3x6]C[6,6,6a]C[5,6,6]S[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]N[6,6]H)(C[6,6,6a]C[5,3x6]C[6a])(C[6a]C[6a]H){1|B<4>,1|S<2>,2|H<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(N[6,6]C[5,6,6]B)(H){1|C<4>,2|H<1>,5|C<3>}	C[6,6,6a](C[5,3x6]C[6,6,6a]C[5,6,6]S[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|N<3>,3|H<1>,5|C<3>}	113.0460	0.187	2	113.0460	0.035	2	113.0430	0.195	12	113.2700	0.736	352	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	4:3:3:	3:3:3:1:	4:3:3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:N[6,6]-3:H-1:	C[5,3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a](C[3x6]C[6,6,6a]N[6,6]H)(C[6,6,6a]C[5,3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(N[6,6]C[5,6,6]H)(H)	C[6,6,6a](C[5,3x6]C[6,6,6a]C[5,6,6]S[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]N[6,6]H)(C[6,6,6a]C[5,3x6]C[6a])(C[6a]C[6a]H){1|S<2>,3|H<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(N[6,6]C[5,6,6]H)(H){1|C<4>,2|H<1>,5|C<3>}	C[6,6,6a](C[5,3x6]C[6,6,6a]C[5,6,6]S[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|N<3>,3|H<1>,5|C<3>}	113.0325	0.050	2	113.0325	0.003	2	113.0430	0.195	12	113.2700	0.736	352	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	4:3:3:	3:3:3:1:	4:3:3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:N[6,6]-3:H-1:	C[5,3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a](C[3x6]C[6,6,6a]N[6,6]H)(C[6,6,6a]C[5,3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(N[6,6]C[5,6,6]O)(H)	C[6,6,6a](C[5,3x6]C[6,6,6a]C[5,6,6]S[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]N[6,6]H)(C[6,6,6a]C[5,3x6]C[6a])(C[6a]C[6a]H){1|O<1>,1|S<2>,2|H<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(N[6,6]C[5,6,6]O)(H){1|C<4>,2|H<1>,5|C<3>}	C[6,6,6a](C[5,3x6]C[6,6,6a]C[5,6,6]S[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|N<3>,3|H<1>,5|C<3>}	112.9762	0.641	4	113.0449	0.301	8	113.0430	0.195	12	113.2700	0.736	352	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	4:3:3:	3:3:3:1:	4:3:3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:N[6,6]-3:H-1:	C[5,3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a](C[3x6]C[6,6,6a]N[6,6]H)(C[6,6,6a]C[5,3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(N[6,6]C[5,6,6]O)(H)	C[6,6,6a](C[5,3x6]C[6,6,6a]C[5,6,6]S[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]N[6,6]H)(C[6,6,6a]C[5,3x6]C[6a])(C[6a]C[6a]H){1|O<2>,1|S<2>,2|H<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(N[6,6]C[5,6,6]O)(H){1|C<4>,2|H<1>,5|C<3>}	C[6,6,6a](C[5,3x6]C[6,6,6a]C[5,6,6]S[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|N<3>,3|H<1>,5|C<3>}	113.1135	0.527	4	113.0449	0.301	8	113.0430	0.195	12	113.2700	0.736	352	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	4:3:3:	3:3:3:1:	4:3:3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:P[4x6]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a](C[3x6]C[6,6,6a]P[4x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(P[4x6]C[3x6]P[4x6])(H)	C[6,6,6a](C[3x6]C[6,6,6a]P[4x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]P[4x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,1|P<4>,3|C<3>,3|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(P[4x6]C[3x6]P[4x6])(H){1|Mo<9>,2|C<4>,3|H<1>,6|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]P[4x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|Mo<9>,1|C<4>,1|P<3>,3|C<3>,3|H<1>}	116.4522	0.134	4	116.4522	0.018	4	116.4522	0.018	4	113.2700	0.736	352	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	4:3:3:	3:3:3:2:	4:3:3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:C-2:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C[6a])(CC)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C[6a])(CC){1|C<4>,2|H<1>,7|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<2>,2|H<1>,5|C<3>}	112.6910	0.013	2	112.6910	0.000	2	112.6910	0.000	2	112.6910	0.000	2	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	4:3:3:	3:3:3:3:	3:4:3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a](C[3x6]C[6,6,6a]2C[6a])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(C[6a]C[6a]2)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]2C[6a])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){3|H<1>,7|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(C[6a]C[6a]2){1|C<4>,4|H<1>,9|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){2|H<1>,6|C<3>}	113.5607	1.504	3	113.4230	0.737	9	113.4230	0.737	9	113.4230	0.737	9	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	4:3:3:	3:3:3:3:	3:4:3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a](C[3x6]C[6,6,6a]2C[6a])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(C[6a]C[6a]2)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]2C[6a])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){3|H<1>,7|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(C[6a]C[6a]2){1|C<4>,5|H<1>,8|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){2|H<1>,6|C<3>}	113.3542	0.507	6	113.4230	0.737	9	113.4230	0.737	9	113.4230	0.737	9	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	4:3:3:	3:3:3:3:	4:3:3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:C-3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C)(CHO)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C)(CHO){1|C<4>,2|H<1>,5|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	112.5020	0.202	2	112.5020	0.041	2	112.5020	0.041	2	113.1255	0.549	4	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	4:3:3:	3:3:3:3:	4:3:3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:C[6a]-3:	C[5,3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]C[6a])(C[6,6,6a]C[5,3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[5,6,6]H)(C[6a]C[6a]2)	C[6,6,6a](C[5,3x6]C[6,6,6a]C[5,6,6]C[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]C[6a])(C[6,6,6a]C[5,3x6]C[6a])(C[6a]C[6a]H){1|C<4>,3|H<1>,6|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[5,6,6]H)(C[6a]C[6a]2){2|C<4>,4|H<1>,6|C<3>}	C[6,6,6a](C[5,3x6]C[6,6,6a]C[5,6,6]C[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,1|S<2>,4|H<1>,5|C<3>}	113.7490	0.229	2	113.7490	0.052	2	113.7490	0.052	2	113.1255	0.549	4	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	4:3:3:	3:3:3:4:	3:4:3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:C[5]-4:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a](C[3x6]C[6,6,6a]2C[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(C[5]C[5]2Fe)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]2C[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|Fe<10>,2|C<4>,3|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(C[5]C[5]2Fe){1|O<2>,3|C<4>,4|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	113.4880	0.190	4	113.5697	0.202	7	113.4547	0.207	9	113.4547	0.207	9	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	4:3:3:	3:3:3:4:	3:4:3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:C[5]-4:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a](C[3x6]C[6,6,6a]2C[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(C[5]C[5]2Fe)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]2C[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|Fe<10>,2|C<4>,3|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(C[5]C[5]2Fe){3|C<4>,5|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	113.9605	0.750	2	113.5697	0.202	7	113.4547	0.207	9	113.4547	0.207	9	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	4:3:3:	3:3:3:4:	3:4:3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:C[5]-4:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a](C[3x6]C[6,6,6a]2C[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(C[5]C[5]2Fe)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]2C[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|Fe<10>,2|H<1>,3|C<4>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(C[5]C[5]2Fe){3|C<4>,5|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|H<1>,2|C<4>,5|C<3>}	113.1150	0.000	1	113.5697	0.202	7	113.4547	0.207	9	113.4547	0.207	9	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	4:3:3:	3:3:3:4:	3:4:3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:C[5]-4:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a](C[3x6]C[6,6,6a]2C[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]O)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(C[5]C[5]2Fe)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]O)	C[6,6,6a](C[3x6]C[6,6,6a]2C[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]O){1|Fe<10>,1|O<2>,2|C<4>,2|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(C[5]C[5]2Fe){1|O<2>,3|C<4>,4|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]O){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	113.0520	0.177	2	113.0520	0.031	2	113.4547	0.207	9	113.4547	0.207	9	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	4:3:3:	3:3:3:4:	4:3:3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[3x6]-3:C-4:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a](C[3x6]C[6,6,6a]C[3x6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[3x6]C[3x6]C[6])(CH3)	C[6,6,6a](C[3x6]C[6,6,6a]C[3x6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[3x6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[3x6]C[3x6]C[6])(CH3){1|C<4>,3|H<1>,6|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[3x6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	114.4630	0.600	6	114.4626	0.301	8	114.4626	0.301	8	113.5904	0.660	28	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	4:3:3:	3:3:3:4:	4:3:3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[3x6]-3:C-4:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a](C[3x6]C[6,6,6a]C[3x6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[3x6]C[3x6]C[6])(CH3)	C[6,6,6a](C[3x6]C[6,6,6a]C[3x6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[3x6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[3x6]C[3x6]C[6])(CH3){1|C<4>,3|H<1>,6|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[3x6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	114.4615	0.554	2	114.4626	0.301	8	114.4626	0.301	8	113.5904	0.660	28	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	4:3:3:	3:3:3:4:	4:3:3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:C-4:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C)(CHHO)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C)(CHHO){1|C<4>,2|H<1>,5|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	112.7945	0.080	2	112.7945	0.006	2	113.0744	0.287	10	113.5904	0.660	28	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	4:3:3:	3:3:3:4:	4:3:3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:C-4:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C[6a])(CH3)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C[6a])(CH3){1|C<4>,1|P<4>,2|H<1>,6|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,1|P<4>,2|H<1>,4|C<3>}	113.1444	0.583	8	113.1444	0.340	8	113.0744	0.287	10	113.5904	0.660	28	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	4:3:3:	3:3:3:4:	4:3:3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:C-4:	C[5,3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]C)(C[6,6,6a]C[5,3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[5,6,6]H)(CH3)	C[6,6,6a](C[5,3x6]C[6,6,6a]C[5,6,6]C[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]C)(C[6,6,6a]C[5,3x6]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[5,6,6]H)(CH3){2|C<4>,2|H<1>,4|C<3>}	C[6,6,6a](C[5,3x6]C[6,6,6a]C[5,6,6]C[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<4>,2|H<1>,4|C<3>}	114.2990	0.194	2	114.2990	0.038	2	114.2990	0.038	2	113.5904	0.660	28	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	4:3:3:	3:3:3:4:	4:3:3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:C[5]-4:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]C[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C)(C[5]C[5]2Fe)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]C[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|Fe<10>,2|C<4>,3|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C)(C[5]C[5]2Fe){3|C<4>,4|H<1>,5|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	113.2070	0.480	6	113.2070	0.230	6	113.2070	0.230	6	113.5904	0.660	28	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	4:3:3:	3:3:3:4:	4:3:3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:N[6,6]-3:C-4:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a](C[3x6]C[6,6,6a]N[6,6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(N[6,6]O[6,6]C)(CH3)	C[6,6,6a](C[3x6]C[6,6,6a]O[6,6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]N[6,6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(N[6,6]O[6,6]C)(CH3){1|C<4>,2|H<1>,4|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]O[6,6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	113.1230	0.939	2	113.1230	0.882	2	113.1230	0.882	2	113.5904	0.660	28	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	4:3:3:	3:3:4:1:	4:3:3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:B[6,6]-4:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a](C[3x6]C[6,6,6a]B[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(B[6,6]B[6,6]ClN)(H)	C[6,6,6a](C[3x6]C[6,6,6a]B[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]B[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|Cl<1>,1|B<4>,1|N<4>,3|C<3>,3|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(B[6,6]B[6,6]ClN)(H){1|Cl<1>,1|C<4>,1|N<4>,2|H<1>,4|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]B[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|Cl<1>,1|B<4>,1|N<4>,3|C<3>,3|H<1>}	115.0302	0.589	4	115.0302	0.347	4	115.0153	0.215	6	113.3823	0.536	473	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	4:3:3:	3:3:4:1:	4:3:3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:B[6,6]-4:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a](C[3x6]C[6,6,6a]B[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(B[6,6]B[6,6]NN)(H)	C[6,6,6a](C[3x6]C[6,6,6a]B[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]B[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|B<3>,2|N<4>,3|C<3>,3|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(B[6,6]B[6,6]NN)(H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]B[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|B<4>,1|N<3>,3|C<3>,3|H<1>}	114.9855	0.180	2	114.9855	0.033	2	115.0153	0.215	6	113.3823	0.536	473	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	4:3:3:	3:3:4:1:	4:3:3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[3x6]-4:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a](C[3x6]C[6,6,6a]C[3x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a,6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[3x6]C[3x6]C[6]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[3x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a,6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[3x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a,6a]H){1|C<4>,3|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[3x6]C[3x6]C[6]H)(H){1|C<4>,1|O<1>,3|H<1>,6|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[3x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a,6a]H){1|C<4>,3|H<1>,5|C<3>}	112.1995	0.267	2	112.1995	0.071	2	113.3977	0.247	34	113.3823	0.536	473	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	4:3:3:	3:3:4:1:	4:3:3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[3x6]-4:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a](C[3x6]C[6,6,6a]C[3x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[3x6]C[3x6]C[6]Cr)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[3x6]C[6a])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[3x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|Cr<9>,2|C<4>,2|H<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[3x6]C[3x6]C[6]Cr)(H){3|C<4>,3|H<1>,4|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[3x6]C[6a])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|Cr<9>,2|C<4>,3|H<1>,5|C<3>}	113.6480	0.723	2	113.6480	0.522	2	113.3977	0.247	34	113.3823	0.536	473	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	4:3:3:	3:3:4:1:	4:3:3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[3x6]-4:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a](C[3x6]C[6,6,6a]C[3x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[3x6]C[3x6]C[6]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[3x6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[3x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[3x6]C[3x6]C[6]H)(H){1|C<4>,1|O<1>,3|H<1>,6|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[3x6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	113.7930	0.305	4	113.7930	0.093	4	113.3977	0.247	34	113.3823	0.536	473	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	4:3:3:	3:3:4:1:	4:3:3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[3x6]-4:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a](C[3x6]C[6,6,6a]C[3x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[3x6]C[3x6]C[6]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[3x6]C[6a])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[3x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[3x6]C[3x6]C[6]H)(H){2|C<4>,5|C<3>,5|H<1>}	C[6,6,6a](C[3x6]C[6,6,6a]C[3x6]C[6a])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,4|H<1>,6|C<3>}	113.9400	0.764	2	113.8055	0.434	4	113.3977	0.247	34	113.3823	0.536	473	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	4:3:3:	3:3:4:1:	4:3:3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[3x6]-4:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a](C[3x6]C[6,6,6a]C[3x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[3x6]C[3x6]C[6]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[3x6]C[6a])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[3x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[3x6]C[3x6]C[6]H)(H){3|C<4>,4|C<3>,5|H<1>}	C[6,6,6a](C[3x6]C[6,6,6a]C[3x6]C[6a])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){2|C<4>,4|H<1>,5|C<3>}	113.6710	0.805	2	113.8055	0.434	4	113.3977	0.247	34	113.3823	0.536	473	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	4:3:3:	3:3:4:1:	4:3:3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[3x6]-4:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a](C[3x6]C[6,6,6a]C[3x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[3x6]C[3x6]C[6]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[3x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[3x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[3x6]C[3x6]C[6]H)(H){1|C<4>,1|O<1>,3|H<1>,6|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[3x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	113.2705	0.256	6	113.2705	0.066	6	113.3977	0.247	34	113.3823	0.536	473	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	4:3:3:	3:3:4:1:	4:3:3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[3x6]-4:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a](C[3x6]C[6,6,6a]C[3x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[3x6]C[3x6]N[5,6]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[3x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[3x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[3x6]C[3x6]N[5,6]H)(H){1|C<4>,1|N<3>,3|H<1>,6|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[3x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	113.3631	0.289	16	113.3631	0.084	16	113.3977	0.247	34	113.3823	0.536	473	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	4:3:3:	3:3:4:1:	4:3:3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[4,6,6]-4:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a](C[3x6]C[6,6,6a]C[4,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[4,6,6]C[4,6,6]2C)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[4,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[4,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<2>,2|C<4>,3|C<3>,3|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[4,6,6]C[4,6,6]2C)(H){1|C<2>,3|C<4>,3|H<1>,4|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[4,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	113.9785	0.879	4	113.9785	0.773	4	113.5094	0.686	8	113.3823	0.536	473	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	4:3:3:	3:3:4:1:	4:3:3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[4,6,6]-4:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a](C[3x6]C[6,6,6a]C[4,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[4,6,6]C[4,6,6]2H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[4,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[4,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[4,6,6]C[4,6,6]2H)(H){1|C<2>,3|C<4>,3|H<1>,4|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[4,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<2>,2|C<4>,3|C<3>,3|H<1>}	113.0403	0.490	4	113.0403	0.240	4	113.5094	0.686	8	113.3823	0.536	473	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	4:3:3:	3:3:4:1:	4:3:3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:Br-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]Br)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(Br)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]Br)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]Br)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|Br<1>,1|C<4>,3|H<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(Br){1|C<4>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]Br)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|Br<1>,1|C<4>,3|H<1>,4|C<3>}	112.9145	0.306	4	112.9145	0.093	4	112.9145	0.093	4	113.3823	0.536	473	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	4:3:3:	3:3:4:1:	4:3:3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a,6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a,6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a,6a]H){1|C<4>,3|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H){1|C<4>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a,6a]H){1|C<4>,3|H<1>,5|C<3>}	113.1070	0.502	52	113.0682	0.542	54	113.4064	0.309	239	113.3823	0.536	473	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	4:3:3:	3:3:4:1:	4:3:3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a,6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a,6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a,6a]H){1|C<4>,3|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H){1|C<4>,1|O<1>,1|O<2>,3|H<1>,5|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a,6a]H){1|C<4>,3|H<1>,5|C<3>}	112.0595	3.707	2	113.0682	0.542	54	113.4064	0.309	239	113.3823	0.536	473	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	4:3:3:	3:3:4:1:	4:3:3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a,6a]Si)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a,6a]Si)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a,6a]Si){1|Si<4>,1|C<4>,2|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H){1|Si<4>,1|C<4>,1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a,6a]Si){1|Si<4>,1|C<4>,2|H<1>,5|C<3>}	111.3620	0.000	1	111.3620	0.000	1	113.4064	0.309	239	113.3823	0.536	473	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	4:3:3:	3:3:4:1:	4:3:3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]C)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]C)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]C){1|C<2>,1|C<4>,3|H<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H){1|C<2>,1|C<4>,1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]C){1|C<2>,1|C<4>,3|H<1>,4|C<3>}	113.5045	0.115	2	113.5045	0.013	2	113.4064	0.309	239	113.3823	0.536	473	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	4:3:3:	3:3:4:1:	4:3:3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]C)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]C){1|C<4>,4|C<3>,4|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<2>,5|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<2>,1|C<4>,3|H<1>,4|C<3>}	113.6960	0.156	2	113.6960	0.024	2	113.4064	0.309	239	113.3823	0.536	473	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	4:3:3:	3:3:4:1:	4:3:3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]F)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]F)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]F){1|C<4>,2|F<1>,2|H<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|F<1>,5|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]F){1|C<4>,2|F<1>,2|H<1>,4|C<3>}	113.8251	0.269	8	113.8251	0.073	8	113.4064	0.309	239	113.3823	0.536	473	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	4:3:3:	3:3:4:1:	4:3:3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,3|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H){1|C<4>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	114.1570	0.539	2	114.0398	0.116	24	113.4064	0.309	239	113.3823	0.536	473	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	4:3:3:	3:3:4:1:	4:3:3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H){1|C<4>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	114.1211	0.336	14	114.0398	0.116	24	113.4064	0.309	239	113.3823	0.536	473	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	4:3:3:	3:3:4:1:	4:3:3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H){1|C<4>,1|O<1>,1|O<2>,3|H<1>,5|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	113.7660	0.060	4	114.0398	0.116	24	113.4064	0.309	239	113.3823	0.536	473	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	4:3:3:	3:3:4:1:	4:3:3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){3|C<3>,3|C<4>,3|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H){1|N<3>,1|O<2>,2|C<4>,3|H<1>,5|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	113.9708	0.396	4	114.0398	0.116	24	113.4064	0.309	239	113.3823	0.536	473	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	4:3:3:	3:3:4:1:	4:3:3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]C[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H){1|C<4>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]C[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<2>,4|C<3>,5|H<1>}	113.9545	0.321	4	113.9545	0.103	4	113.4064	0.309	239	113.3823	0.536	473	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	4:3:3:	3:3:4:1:	4:3:3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]C)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<2>,1|C<4>,3|H<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H){1|C<4>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]C){1|C<4>,4|C<3>,4|H<1>}	113.2945	0.088	2	113.2945	0.008	2	113.4064	0.309	239	113.3823	0.536	473	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	4:3:3:	3:3:4:1:	4:3:3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,1|F<1>,3|H<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H){1|C<4>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,1|F<1>,3|H<1>,4|C<3>}	113.4781	0.174	8	113.3677	0.110	126	113.4064	0.309	239	113.3823	0.536	473	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	4:3:3:	3:3:4:1:	4:3:3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H){1|C<4>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	112.8665	0.173	2	113.3677	0.110	126	113.4064	0.309	239	113.3823	0.536	473	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	4:3:3:	3:3:4:1:	4:3:3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H){1|C<2>,1|C<4>,1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	113.4350	0.499	2	113.3677	0.110	126	113.4064	0.309	239	113.3823	0.536	473	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	4:3:3:	3:3:4:1:	4:3:3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H){1|C<4>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	113.5980	0.293	2	113.3677	0.110	126	113.4064	0.309	239	113.3823	0.536	473	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	4:3:3:	3:3:4:1:	4:3:3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H){1|C<4>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	113.4032	0.244	90	113.3677	0.110	126	113.4064	0.309	239	113.3823	0.536	473	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	4:3:3:	3:3:4:1:	4:3:3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H){1|C<4>,1|O<1>,1|O<2>,3|H<1>,5|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	112.9760	0.999	5	113.3677	0.110	126	113.4064	0.309	239	113.3823	0.536	473	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	4:3:3:	3:3:4:1:	4:3:3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H){1|N<3>,1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	113.2300	0.461	2	113.3677	0.110	126	113.4064	0.309	239	113.3823	0.536	473	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	4:3:3:	3:3:4:1:	4:3:3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H){1|Si<4>,1|C<4>,1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	112.8000	0.000	1	113.3677	0.110	126	113.4064	0.309	239	113.3823	0.536	473	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	4:3:3:	3:3:4:1:	4:3:3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H){1|C<4>,1|N<3>,1|O<2>,4|H<1>,5|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	113.5390	0.488	2	113.3677	0.110	126	113.4064	0.309	239	113.3823	0.536	473	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	4:3:3:	3:3:4:1:	4:3:3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H){1|N<3>,2|C<4>,4|C<3>,5|H<1>}	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	113.2663	0.333	12	113.3677	0.110	126	113.4064	0.309	239	113.3823	0.536	473	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	4:3:3:	3:3:4:1:	4:3:3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]O)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H){1|C<4>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]O)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	113.7990	0.256	2	113.7990	0.066	2	113.4064	0.309	239	113.3823	0.536	473	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	4:3:3:	3:3:4:1:	4:3:3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]P)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,1|P<2>,3|H<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H){1|C<4>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]P)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	114.6415	0.032	2	114.0722	0.453	4	113.4064	0.309	239	113.3823	0.536	473	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	4:3:3:	3:3:4:1:	4:3:3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]P)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,1|P<2>,3|H<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H){1|C<4>,1|O<1>,1|O<2>,3|H<1>,5|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]P)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	113.5030	0.249	2	114.0722	0.453	4	113.4064	0.309	239	113.3823	0.536	473	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	4:3:3:	3:3:4:1:	4:3:3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]N[5]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]N[5]H)(H){1|N<3>,2|C<4>,3|H<1>,5|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	113.5541	0.310	8	113.5541	0.096	8	113.4064	0.309	239	113.3823	0.536	473	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	4:3:3:	3:3:4:1:	4:3:3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[6,6]C[5]2)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){3|H<1>,6|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[6,6]C[5]2)(H){1|C<4>,2|H<1>,3|O<1>,6|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	113.0320	0.008	2	113.0320	0.000	2	113.4064	0.309	239	113.3823	0.536	473	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	4:3:3:	3:3:4:1:	4:3:3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a,6a]C[6a])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]CC)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a,6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a,6a]C[6a]){1|C<4>,2|C<2>,2|H<1>,6|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]CC)(H){2|C<2>,2|C<4>,5|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a,6a]H){1|C<4>,1|H<1>,2|C<2>,5|C<3>}	112.4720	0.122	2	112.4720	0.015	2	113.1428	0.354	170	113.3823	0.536	473	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	4:3:3:	3:3:4:1:	4:3:3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a,6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]CC)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a,6a]C[6a])	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a,6a]H){1|C<4>,1|H<1>,2|C<2>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]CC)(H){1|H<1>,2|C<2>,2|C<4>,4|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a,6a]C[6a]){1|C<4>,2|C<2>,2|H<1>,6|C<3>}	112.2530	0.611	2	112.2530	0.373	2	113.1428	0.354	170	113.3823	0.536	473	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	4:3:3:	3:3:4:1:	4:3:3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]C)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]CC)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]C)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]C){1|H<1>,2|C<2>,3|C<3>,3|C<4>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]CC)(H){1|H<1>,2|C<2>,2|C<4>,4|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]C){1|H<1>,2|C<2>,3|C<3>,3|C<4>}	112.7970	0.209	2	113.0367	0.140	4	113.1428	0.354	170	113.3823	0.536	473	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	4:3:3:	3:3:4:1:	4:3:3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]C)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]CC)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]C)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]C){1|H<1>,2|C<2>,3|C<3>,3|C<4>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]CC)(H){2|C<2>,2|C<4>,5|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]C){1|H<1>,2|C<2>,3|C<3>,3|C<4>}	113.2765	0.383	2	113.0367	0.140	4	113.1428	0.354	170	113.3823	0.536	473	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	4:3:3:	3:3:4:1:	4:3:3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]CC)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,3|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]CC)(H){1|C<4>,4|C<3>,4|H<1>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,3|C<3>,5|H<1>}	113.3535	0.101	2	113.4387	0.167	4	113.1428	0.354	170	113.3823	0.536	473	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	4:3:3:	3:3:4:1:	4:3:3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]CC)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]CC)(H){1|C<4>,4|C<3>,4|H<1>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,3|C<3>,5|H<1>}	113.5240	0.679	2	113.4387	0.167	4	113.1428	0.354	170	113.3823	0.536	473	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	4:3:3:	3:3:4:1:	4:3:3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]CH)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]CH)(H){1|C<4>,3|H<1>,5|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	113.0890	0.600	32	113.0951	0.342	77	113.1428	0.354	170	113.3823	0.536	473	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	4:3:3:	3:3:4:1:	4:3:3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]CH)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]CH)(H){1|C<4>,4|C<3>,4|H<1>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,3|C<3>,5|H<1>}	113.3080	0.305	2	113.0951	0.342	77	113.1428	0.354	170	113.3823	0.536	473	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	4:3:3:	3:3:4:1:	4:3:3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]CH)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]CH)(H){1|C<4>,4|C<3>,4|H<1>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,3|C<3>,5|H<1>}	113.3090	0.272	2	113.0951	0.342	77	113.1428	0.354	170	113.3823	0.536	473	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	4:3:3:	3:3:4:1:	4:3:3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]CH)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]CH)(H){2|C<4>,3|H<1>,4|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	113.0790	0.601	41	113.0951	0.342	77	113.1428	0.354	170	113.3823	0.536	473	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	4:3:3:	3:3:4:1:	4:3:3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]CH)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]Ir)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]P)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|Ir<6>,1|P<4>,2|C<4>,2|H<1>,3|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]CH)(H){2|C<4>,3|H<1>,4|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]Ir)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]P){2|C<4>,3|C<3>,4|H<1>}	112.6315	0.613	2	112.6315	0.376	2	113.1428	0.354	170	113.3823	0.536	473	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	4:3:3:	3:3:4:1:	4:3:3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]CH)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]P)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<2>,1|C<4>,1|P<2>,3|C<3>,3|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]CH)(H){1|C<2>,1|C<4>,3|H<1>,4|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]P)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<2>,1|C<4>,3|C<3>,4|H<1>}	114.4067	0.047	3	114.4067	0.002	3	113.1428	0.354	170	113.3823	0.536	473	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	4:3:3:	3:3:4:1:	4:3:3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]CH)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]Ru)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]P)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|Ru<6>,1|P<4>,2|C<4>,2|H<1>,3|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]CH)(H){2|C<4>,3|H<1>,4|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]Ru)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]P){2|C<4>,3|C<3>,4|H<1>}	112.7775	0.180	2	112.7775	0.033	2	113.1428	0.354	170	113.3823	0.536	473	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	4:3:3:	3:3:4:1:	4:3:3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C[6a]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C[6a]H)(H){1|C<4>,3|H<1>,7|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	113.2245	0.336	2	113.2245	0.113	2	113.1428	0.354	170	113.3823	0.536	473	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	4:3:3:	3:3:4:1:	4:3:3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C[6a]P[6])(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|P<4>,3|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C[6a]P[6])(H){1|C<4>,1|O<1>,2|H<1>,2|O<2>,7|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	113.0400	0.279	2	113.0400	0.078	2	113.1428	0.354	170	113.3823	0.536	473	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	4:3:3:	3:3:4:1:	4:3:3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]HH)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,3|C<3>,5|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]HH)(H){1|C<4>,1|P<4>,3|H<1>,4|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,1|P<4>,3|C<3>,4|H<1>}	113.5580	0.991	2	113.0778	0.238	14	113.1428	0.354	170	113.3823	0.536	473	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	4:3:3:	3:3:4:1:	4:3:3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]HH)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,3|C<3>,5|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]HH)(H){1|C<4>,2|H<1>,6|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,3|H<1>,5|C<3>}	113.1845	0.224	2	113.0778	0.238	14	113.1428	0.354	170	113.3823	0.536	473	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	4:3:3:	3:3:4:1:	4:3:3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]HH)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,3|C<3>,5|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]HH)(H){1|C<4>,3|H<1>,5|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	113.0505	0.252	2	113.0778	0.238	14	113.1428	0.354	170	113.3823	0.536	473	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	4:3:3:	3:3:4:1:	4:3:3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]HH)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,3|C<3>,5|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]HH)(H){1|C<4>,4|C<3>,4|H<1>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,3|C<3>,5|H<1>}	113.0948	0.295	4	113.0778	0.238	14	113.1428	0.354	170	113.3823	0.536	473	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	4:3:3:	3:3:4:1:	4:3:3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]HH)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,3|C<3>,5|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]HH)(H){2|C<4>,2|H<1>,5|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	112.4220	0.581	2	113.0778	0.238	14	113.1428	0.354	170	113.3823	0.536	473	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	4:3:3:	3:3:4:1:	4:3:3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]HH)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,3|C<3>,5|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]HH)(H){2|C<4>,3|H<1>,4|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	113.1400	0.208	2	113.0778	0.238	14	113.1428	0.354	170	113.3823	0.536	473	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	4:3:3:	3:3:4:1:	4:3:3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]HH)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]O)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]HH)(H){1|C<4>,4|C<3>,4|H<1>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]O){1|C<4>,3|C<3>,5|H<1>}	112.6820	0.160	2	112.6820	0.026	2	113.1428	0.354	170	113.3823	0.536	473	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	4:3:3:	3:3:4:1:	4:3:3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]HH)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]P)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,1|P<4>,3|C<3>,4|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]HH)(H){1|C<4>,4|C<3>,4|H<1>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]P){1|C<4>,3|C<3>,5|H<1>}	113.6825	0.385	4	113.6825	0.148	4	113.1428	0.354	170	113.3823	0.536	473	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	4:3:3:	3:3:4:1:	4:3:3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]HH)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]Se)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|Se<2>,1|C<4>,3|C<3>,4|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]HH)(H){1|Pt<4>,1|C<4>,3|H<1>,4|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]Se)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|Pt<4>,1|C<4>,3|C<3>,4|H<1>}	113.6195	0.244	2	113.6195	0.060	2	113.1428	0.354	170	113.3823	0.536	473	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	4:3:3:	3:3:4:1:	4:3:3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]HN)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]HN)(H){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	113.2454	0.385	8	113.2500	0.116	26	113.1428	0.354	170	113.3823	0.536	473	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	4:3:3:	3:3:4:1:	4:3:3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]HN)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]HN)(H){1|C<4>,1|N<4>,3|H<1>,4|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<4>,3|C<3>,4|H<1>}	113.2231	0.350	8	113.2500	0.116	26	113.1428	0.354	170	113.3823	0.536	473	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	4:3:3:	3:3:4:1:	4:3:3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]HN)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]HN)(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	113.4455	0.223	2	113.2500	0.116	26	113.1428	0.354	170	113.3823	0.536	473	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	4:3:3:	3:3:4:1:	4:3:3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]HN)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<4>,3|C<3>,4|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]HN)(H){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	113.2327	0.353	8	113.2500	0.116	26	113.1428	0.354	170	113.3823	0.536	473	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	4:3:3:	3:3:4:1:	4:3:3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]HO)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]HO)(H){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	113.2820	0.236	2	113.2820	0.056	2	113.1428	0.354	170	113.3823	0.536	473	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	4:3:3:	3:3:4:1:	4:3:3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]HP)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,1|P<4>,3|C<3>,4|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]HP)(H){1|C<4>,1|P<4>,3|H<1>,4|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,1|P<4>,3|C<3>,4|H<1>}	113.3950	0.622	4	113.3930	0.320	6	113.1428	0.354	170	113.3823	0.536	473	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	4:3:3:	3:3:4:1:	4:3:3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]HP)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,1|P<4>,3|C<3>,4|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]HP)(H){1|C<4>,4|C<3>,4|H<1>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,3|C<3>,5|H<1>}	113.3890	0.665	2	113.3930	0.320	6	113.1428	0.354	170	113.3823	0.536	473	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	4:3:3:	3:3:4:1:	4:3:3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]N[5]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]N[5]H)(H){1|C<4>,1|N<3>,3|H<1>,6|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	113.1055	1.124	4	113.1055	1.264	4	113.1428	0.354	170	113.3823	0.536	473	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	4:3:3:	3:3:4:1:	4:3:3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]N[5a]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]N[5a]H)(H){1|C<4>,1|N<3>,3|H<1>,6|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	113.3825	0.548	4	113.3825	0.300	4	113.1428	0.354	170	113.3823	0.536	473	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	4:3:3:	3:3:4:1:	4:3:3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]O)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]HH)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]O){1|C<4>,3|C<3>,5|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]HH)(H){1|C<4>,2|H<1>,2|O<2>,4|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	113.8300	0.124	2	113.8300	0.015	2	113.1428	0.354	170	113.3823	0.536	473	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	4:3:3:	3:3:4:1:	4:3:3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]P)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]HH)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]P){1|C<4>,3|C<3>,5|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]HH)(H){1|C<4>,2|H<1>,2|P<4>,4|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,1|P<4>,3|C<3>,4|H<1>}	112.1448	0.908	4	112.1448	0.824	4	113.1428	0.354	170	113.3823	0.536	473	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	4:3:3:	3:3:4:1:	4:3:3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:H-1:	C[5,3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[5,3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[5,6,6]HH)(H)	C[6,6,6a](C[5,3x6]C[6,6,6a]C[5,6,6]C[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[5,3x6]C[6a])(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[5,6,6]HH)(H){2|C<4>,3|H<1>,4|C<3>}	C[6,6,6a](C[5,3x6]C[6,6,6a]C[5,6,6]C[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){2|C<4>,5|C<3>,5|H<1>}	113.6945	1.203	2	113.6820	0.522	4	113.6820	0.522	4	113.3823	0.536	473	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	4:3:3:	3:3:4:1:	4:3:3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:H-1:	C[5,3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[5,3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[5,6,6]HH)(H)	C[6,6,6a](C[5,3x6]C[6,6,6a]C[5,6,6]C[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[5,3x6]C[6a])(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[5,6,6]HH)(H){2|C<4>,3|H<1>,4|C<3>}	C[6,6,6a](C[5,3x6]C[6,6,6a]C[5,6,6]C[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){3|C<4>,4|C<3>,5|H<1>}	113.6695	0.344	2	113.6820	0.522	4	113.6820	0.522	4	113.3823	0.536	473	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	4:3:3:	3:3:4:1:	4:3:3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:P[4x6]-4:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a](C[3x6]C[6,6,6a]P[4x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(P[4x6]C[3x6]P[4x6]Mo)(H)	C[6,6,6a](C[3x6]C[6,6,6a]P[4x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]P[4x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|Mo<9>,1|C<4>,1|P<3>,3|C<3>,3|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(P[4x6]C[3x6]P[4x6]Mo)(H){2|C<4>,3|H<1>,6|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]P[4x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,1|P<4>,3|C<3>,3|H<1>}	116.0018	0.249	4	116.0018	0.062	4	116.0018	0.062	4	113.3823	0.536	473	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	4:3:3:	3:3:4:1:	4:3:3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:Si[6,6]-4:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a](C[3x6]C[6,6,6a]Si[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(Si[6,6]Si[6,6]Si2)(H)	C[6,6,6a](C[3x6]C[6,6,6a]Si[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]Si[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){3|Si<4>,3|C<3>,3|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(Si[6,6]Si[6,6]Si2)(H){2|Si<4>,1|C<4>,2|H<1>,4|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]Si[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){3|Si<4>,3|C<3>,3|H<1>}	116.8375	0.598	4	116.8375	0.358	4	116.8375	0.358	4	113.3823	0.536	473	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	4:3:3:	3:3:4:2:	4:3:3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:O-2:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]O)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(OC)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]O)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]O)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(OC){1|C<4>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]O)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	113.9462	0.619	4	113.7524	0.241	8	113.7392	0.190	10	113.4384	0.499	20	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	4:3:3:	3:3:4:2:	4:3:3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:O-2:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]O)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(OC)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]O)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]O)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(OC){1|N<3>,2|C<4>,4|C<3>,5|H<1>}	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]O)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	113.5585	0.282	4	113.7524	0.241	8	113.7392	0.190	10	113.4384	0.499	20	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	4:3:3:	3:3:4:2:	4:3:3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:O-2:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]O)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(OH)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]O)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(OH){1|C<4>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	113.6865	0.101	2	113.6865	0.010	2	113.7392	0.190	10	113.4384	0.499	20	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	4:3:3:	3:3:4:2:	4:3:3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:P-2:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]P)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(PP)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]P)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(PP){1|C<4>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,1|P<2>,3|H<1>,4|C<3>}	113.4470	0.523	2	113.5012	0.116	4	113.5012	0.116	4	113.4384	0.499	20	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	4:3:3:	3:3:4:2:	4:3:3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:P-2:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]P)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(PP)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]P)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(PP){1|C<4>,1|O<1>,1|O<2>,3|H<1>,5|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,1|P<2>,3|H<1>,4|C<3>}	113.5555	0.248	2	113.5012	0.116	4	113.5012	0.116	4	113.4384	0.499	20	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	4:3:3:	3:3:4:2:	4:3:3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:P-2:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]P)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]CH)(PP)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]P)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<2>,1|C<4>,3|C<3>,4|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]CH)(PP){1|C<2>,1|C<4>,3|H<1>,4|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<2>,1|C<4>,1|P<2>,3|C<3>,3|H<1>}	113.4255	0.669	4	113.4255	0.448	4	113.4255	0.448	4	113.4384	0.499	20	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	4:3:3:	3:3:4:2:	4:3:3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:Se-2:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]Se)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]PtH)(SePt)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]Se)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|Pt<4>,1|C<4>,3|C<3>,4|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]PtH)(SePt){1|C<4>,4|C<3>,4|H<1>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|Se<2>,1|C<4>,3|C<3>,4|H<1>}	111.8345	0.105	2	111.8345	0.011	2	111.8345	0.011	2	113.4384	0.499	20	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	4:3:3:	3:3:4:3:	4:3:3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a](C[3x6]C[6,6,6a]C[3x6]C[6a])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[3x6]C[3x6]C[6]Cr)(C[6a]C[6a]2)	C[6,6,6a](C[3x6]C[6,6,6a]C[3x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[3x6]C[6a])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|Cr<9>,2|C<4>,3|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[3x6]C[3x6]C[6]Cr)(C[6a]C[6a]2){3|C<4>,5|H<1>,6|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[3x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|Cr<9>,2|C<4>,2|H<1>,4|C<3>}	113.9345	1.309	2	113.9345	1.713	2	113.7593	0.612	6	113.5409	0.647	8	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	4:3:3:	3:3:4:3:	4:3:3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a](C[3x6]C[6,6,6a]C[3x6]C[6a])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[3x6]C[3x6]C[6]H)(C[6a]C[6a]2)	C[6,6,6a](C[3x6]C[6,6,6a]C[3x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[3x6]C[6a])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,4|H<1>,6|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[3x6]C[3x6]C[6]H)(C[6a]C[6a]2){2|C<4>,6|H<1>,7|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[3x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	113.5960	0.853	2	113.6718	0.419	4	113.7593	0.612	6	113.5409	0.647	8	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	4:3:3:	3:3:4:3:	4:3:3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a](C[3x6]C[6,6,6a]C[3x6]C[6a])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[3x6]C[3x6]C[6]H)(C[6a]C[6a]2)	C[6,6,6a](C[3x6]C[6,6,6a]C[3x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[3x6]C[6a])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){2|C<4>,4|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[3x6]C[3x6]C[6]H)(C[6a]C[6a]2){3|C<4>,6|C<3>,7|H<1>}	C[6,6,6a](C[3x6]C[6,6,6a]C[3x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	113.7475	0.712	2	113.6718	0.419	4	113.7593	0.612	6	113.5409	0.647	8	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	4:3:3:	3:3:4:3:	4:3:3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:C-3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(COO)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(COO){1|C<4>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,3|H<1>,5|C<3>}	112.8855	0.568	2	112.8855	0.322	2	112.8855	0.322	2	113.5409	0.647	8	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	4:3:3:	3:3:4:4:	4:3:3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[3x6]-4:C-4:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a](C[3x6]C[6,6,6a]C[3x6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[3x6]C[3x6]C[6]H)(CCHO)	C[6,6,6a](C[3x6]C[6,6,6a]C[3x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[3x6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[3x6]C[3x6]C[6]H)(CCHO){1|C<4>,1|O<1>,3|H<1>,6|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[3x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	113.8415	0.316	4	113.8415	0.100	4	113.8415	0.100	4	113.9805	0.170	59	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	4:3:3:	3:3:4:4:	4:3:3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[3x6]-4:C[5]-4:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a](C[3x6]C[6,6,6a]C[3x6]C[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[3x6]C[3x6]C[6]H)(C[5]O[5]2H)	C[6,6,6a](C[3x6]C[6,6,6a]C[3x6]C[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[3x6]C[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){2|C<4>,2|O<2>,4|C<3>,4|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[3x6]C[3x6]C[6]H)(C[5]O[5]2H){1|O<1>,3|C<4>,3|H<1>,6|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[3x6]C[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){2|C<4>,2|O<2>,4|C<3>,4|H<1>}	113.7463	0.186	4	113.7463	0.035	4	113.7463	0.035	4	113.9805	0.170	59	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	4:3:3:	3:3:4:4:	4:3:3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:C-4:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(CCHN)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(CCHN){1|C<4>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	113.7648	0.194	6	113.7648	0.038	6	113.8673	0.148	26	113.9805	0.170	59	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	4:3:3:	3:3:4:4:	4:3:3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:C-4:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(CCHO)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(CCHO){1|C<4>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	113.7775	0.156	4	113.7518	0.124	12	113.8673	0.148	26	113.9805	0.170	59	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	4:3:3:	3:3:4:4:	4:3:3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:C-4:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(CCHO)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(CCHO){1|C<4>,1|O<1>,1|O<2>,3|H<1>,5|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	114.1100	0.139	4	113.7518	0.124	12	113.8673	0.148	26	113.9805	0.170	59	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	4:3:3:	3:3:4:4:	4:3:3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:C-4:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(CCHO)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(CCHO){1|N<3>,1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){3|C<3>,3|C<4>,3|H<1>}	113.3680	0.205	4	113.7518	0.124	12	113.8673	0.148	26	113.9805	0.170	59	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	4:3:3:	3:3:4:4:	4:3:3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:C-4:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(CH3)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(CH3){1|C<4>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	114.5055	0.148	4	114.5055	0.022	4	113.8673	0.148	26	113.9805	0.170	59	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	4:3:3:	3:3:4:4:	4:3:3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:C-4:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(CHHO)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(CHHO){1|C<4>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	113.7293	0.233	4	113.7293	0.054	4	113.8673	0.148	26	113.9805	0.170	59	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	4:3:3:	3:3:4:4:	4:3:3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:C[5]-4:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]C[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(C[5]C[5]2Fe)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]C[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]C[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|Fe<10>,3|H<1>,4|C<3>,4|C<4>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(C[5]C[5]2Fe){1|N<3>,1|O<1>,3|C<4>,5|C<3>,5|H<1>}	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]C[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|Fe<10>,3|H<1>,4|C<3>,4|C<4>}	114.7515	0.086	4	114.7515	0.007	4	114.2981	0.241	8	113.9805	0.170	59	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	4:3:3:	3:3:4:4:	4:3:3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:C[5]-4:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]C[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(C[5]N[5]O[5]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]C[5])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<2>,4|C<3>,5|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(C[5]N[5]O[5]H){1|N<3>,1|O<1>,3|H<1>,4|C<4>,5|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	113.8448	0.075	4	113.8448	0.006	4	114.2981	0.241	8	113.9805	0.170	59	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	4:3:3:	3:3:4:4:	4:3:3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:C-4:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[5,6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]HH)(CH3)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[5,6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[5,6a]H){2|C<4>,3|H<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]HH)(CH3){1|C<4>,4|C<3>,4|H<1>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[5,6a]H){2|C<4>,3|H<1>,4|C<3>}	114.0481	0.436	11	114.0481	0.190	11	114.0583	0.162	15	113.9805	0.170	59	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	4:3:3:	3:3:4:4:	4:3:3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:C-4:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6,6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]HH)(CH3)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6,6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6,6a]H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]HH)(CH3){1|C<4>,4|C<3>,4|H<1>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6,6a]H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	113.7890	0.020	2	113.7890	0.000	2	114.0583	0.162	15	113.9805	0.170	59	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	4:3:3:	3:3:4:4:	4:3:3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:C-4:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]HH)(CH3)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]HH)(CH3){1|C<4>,4|C<3>,4|H<1>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	114.3840	0.064	2	114.3840	0.004	2	114.0583	0.162	15	113.9805	0.170	59	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	4:3:3:	3:3:4:4:	4:3:3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:C-4:	C[5x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]C)(C[6,6,6a]C[5x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[5x6]HH)(CH3)	C[6,6,6a](C[5x6]C[6,6,6a]C[5x6]C[6,6])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]C)(C[6,6,6a]C[5x6]C[6a])(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[5x6]HH)(CH3){1|C<4>,2|H<1>,6|C<3>}	C[6,6,6a](C[5x6]C[6,6,6a]C[5x6]C[6,6])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){3|C<4>,4|H<1>,5|C<3>}	114.3430	0.034	2	114.3430	0.001	2	114.3430	0.001	2	113.9805	0.170	59	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	4:3:3:	3:3:5:1:	4:3:3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-5:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]MgHN)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|Mg<6>,1|C<5>,1|N<3>,3|C<3>,4|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]MgHN)(H){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|Mg<6>,1|C<5>,1|N<3>,3|C<3>,4|H<1>}	113.3067	0.529	4	113.3067	0.280	4	113.3067	0.280	4	113.3067	0.280	4	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	4:3:3:	3:4:2:4:	3:4:3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6]-4:O[6,6]-2:C[6]-4:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a](C[3x6]C[6,6]O[6,6]C[6])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(C[6]C[6]2H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6]O[6,6]C[6])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){3|C<3>,3|C<4>,5|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(C[6]C[6]2H){1|O<1>,2|C<3>,3|C<4>,7|H<1>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2C[6a])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<4>,3|C<3>,4|H<1>}	113.5345	0.018	2	113.5345	0.000	2	113.5345	0.000	2	113.5345	0.000	2	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	4:3:3:	3:4:3:1:	3:4:3:	C[3x6]-4:C[6a,6a]-3:C[6,6,6a]-3:	C[6,6,6a]-3:C[5,6,6]-4:C[6,6]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a](C[3x6]C[5,6,6]C[6,6]H)(C[6a,6a]C[6a,6a]C[6a])(C[6,6,6a]C[3x6]C[6a])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a,6a])(C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]H)(H)	C[6,6,6a](C[6,6,6a]C[6a,6a]C[3x6])(C[3x6]C[5,6,6]C[6,6]H)(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[5,6,6]C[6,6]H)(C[6a,6a]C[6a,6a]C[6a])(C[6,6,6a]C[3x6]C[6a]){1|C<4>,5|C<3>,5|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a,6a])(C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]H)(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[6,6,6a](C[6,6,6a]C[6a,6a]C[3x6])(C[3x6]C[5,6,6]C[6,6]H)(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	112.9630	0.000	1	112.9630	0.000	1	112.9630	0.000	1	112.9630	0.000	1	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	4:3:3:	3:4:3:1:	4:3:3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[3,6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a](C[3x6]C[3,6,6]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[3,6,6]C[3,6,6]C[3]H)(C[6,6]C[6,6]H)(H)	C[6,6,6a](C[3x6]C[3,6,6]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[3,6,6]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){2|C<3>,2|C<4>,5|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[3,6,6]C[3,6,6]C[3]H)(C[6,6]C[6,6]H)(H){2|C<3>,2|C<4>,4|H<1>}	C[6,6,6a](C[3x6]C[3,6,6]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){2|C<3>,2|C<4>,5|H<1>}	112.6555	0.313	2	112.6555	0.098	2	112.6555	0.098	2	112.9683	0.263	10	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	4:3:3:	3:4:3:1:	4:3:3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[4,6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a](C[3x6]C[4,6,6]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[4,6,6]C[4,6,6]C[4]H)(C[6,6]C[6,6]H)(H)	C[6,6,6a](C[3x6]C[4,6,6]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[4,6,6]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){2|C<3>,2|C<4>,5|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[4,6,6]C[4,6,6]C[4]H)(C[6,6]C[6,6]H)(H){1|Br<1>,2|C<3>,2|C<4>,4|H<1>}	C[6,6,6a](C[3x6]C[4,6,6]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){2|C<3>,2|C<4>,5|H<1>}	113.1870	0.759	2	113.1870	0.577	2	113.1870	0.577	2	112.9683	0.263	10	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	4:3:3:	3:4:3:1:	4:3:3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[5,6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a](C[3x6]C[5,6,6]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6,6,6a]C)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]H)(H)	C[6,6,6a](C[3x6]C[5,6,6]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6,6,6a]C)	C[6,6,6a](C[3x6]C[5,6,6]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6,6,6a]C){1|C<2>,2|C<4>,3|C<3>,3|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]H)(H){1|C<2>,1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6,6,6a](C[3x6]C[5,6,6]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6,6,6a]C){1|C<2>,2|C<4>,3|C<3>,3|H<1>}	113.2395	0.561	2	113.2395	0.314	2	112.9997	0.279	6	112.9683	0.263	10	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	4:3:3:	3:4:3:1:	4:3:3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[5,6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a](C[3x6]C[5,6,6]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6,6,6a]C)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[5,6,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]H)(H)	C[6,6,6a](C[3x6]C[5,6,6]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6,6,6a]C)	C[6,6,6a](C[3x6]C[5,6,6]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6,6,6a]C){1|C<2>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[5,6,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]H)(H){1|C<2>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6,6,6a](C[3x6]C[5,6,6]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6,6,6a]C){1|C<2>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	113.2620	0.288	2	113.2620	0.083	2	112.9997	0.279	6	112.9683	0.263	10	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	4:3:3:	3:4:3:1:	4:3:3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[5,6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a](C[3x6]C[5,6,6]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a,6a]C)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]H)(H)	C[6,6,6a](C[3x6]C[5,6,6]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a,6a]H)	C[6,6,6a](C[3x6]C[5,6,6]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a,6a]C){1|C<4>,4|C<3>,4|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]H)(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[6,6,6a](C[3x6]C[5,6,6]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a,6a]H){1|C<4>,3|H<1>,5|C<3>}	112.1520	0.000	1	112.1520	0.000	1	112.9997	0.279	6	112.9683	0.263	10	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	4:3:3:	3:4:3:1:	4:3:3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[5,6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a](C[3x6]C[5,6,6]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a,6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]H)(H)	C[6,6,6a](C[3x6]C[5,6,6]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a,6a]C)	C[6,6,6a](C[3x6]C[5,6,6]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a,6a]H){1|C<4>,3|H<1>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]H)(H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[6,6,6a](C[3x6]C[5,6,6]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a,6a]C){1|C<4>,4|C<3>,4|H<1>}	112.8430	0.000	1	112.8430	0.000	1	112.9997	0.279	6	112.9683	0.263	10	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	4:3:3:	3:4:4:1:	4:3:3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[5,6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a](C[3x6]C[5,6,6]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6,6,6a]C)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[5,6,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]HO)(H)	C[6,6,6a](C[3x6]C[5,6,6]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6,6,6a]C)	C[6,6,6a](C[3x6]C[5,6,6]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6,6,6a]C){1|C<2>,1|C<3>,2|O<2>,3|C<4>,3|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[5,6,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]HO)(H){1|C<2>,2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6,6,6a](C[3x6]C[5,6,6]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6,6,6a]C){1|C<2>,1|C<3>,2|O<2>,3|C<4>,3|H<1>}	113.6475	0.128	2	113.6475	0.016	2	113.3630	0.059	6	113.3630	0.059	6	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	4:3:3:	3:4:4:1:	4:3:3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[5,6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a](C[3x6]C[5,6,6]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]C)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HW)(H)	C[6,6,6a](C[3x6]C[5,6,6]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]C)	C[6,6,6a](C[3x6]C[5,6,6]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]C){1|W<7>,2|C<3>,3|C<4>,4|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HW)(H){1|N<3>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[6,6,6a](C[3x6]C[5,6,6]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]C){1|W<7>,2|C<3>,3|C<4>,4|H<1>}	113.2250	0.076	2	113.2250	0.006	2	113.3630	0.059	6	113.3630	0.059	6	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	4:3:3:	3:4:4:1:	4:3:3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[5,6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a](C[3x6]C[5,6,6]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[5,6,6]C[5,6,6]C[5]Ru)(C[6,6]C[6,6]HH)(H)	C[6,6,6a](C[3x6]C[5,6,6]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[5,6,6]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|Ru<10>,1|C<3>,3|C<4>,5|H<1>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[5,6,6]C[5,6,6]C[5]Ru)(C[6,6]C[6,6]HH)(H){2|C<3>,3|C<4>,4|H<1>}	C[6,6,6a](C[3x6]C[5,6,6]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|Ru<10>,1|C<3>,3|C<4>,5|H<1>}	113.2165	0.177	2	113.2165	0.032	2	113.3630	0.059	6	113.3630	0.059	6	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	4:3:3:	4:3:2:1:	4:3:3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[5,3x6]-4:C[6,6,6a]-3:O[6,6]-2:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a](C[3x6]C[5,3x6]O[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[5,3x6]C[5,3x6]C[5]C[6])(C[6,6,6a]C[6,6,6a]C[6a])(O[6,6]C[6,6])(H)	C[6,6,6a](C[3x6]C[5,3x6]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[5,3x6]O[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[3x6](C[5,3x6]C[5,3x6]C[5]C[6])(C[6,6,6a]C[6,6,6a]C[6a])(O[6,6]C[6,6])(H){1|O<2>,2|C<3>,4|C<4>,7|H<1>}	C[6,6,6a](C[3x6]C[5,3x6]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<3>,2|C<4>,2|O<2>,5|H<1>}	112.3490	0.000	1	112.3490	0.000	1	112.3490	0.000	1	111.2942	0.479	5	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	4:3:3:	4:3:2:1:	4:3:3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[5,3x6]-4:C[6,6,6a]-3:O[6,6]-2:H-1:	C[4x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a](C[3x6]C[5,3x6]O[6,6]H)(C[6,6,6a]C[4x6]C[6a])(C[6a]C[5,6a]H)	C[3x6](C[5,3x6]C[5,4x6]C[5]C[6])(C[6,6,6a]C[6,6,6a]C[6a])(O[6,6]C[3x6])(H)	C[6,6,6a](C[4x6]C[5,4x6]C[3x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[5,6a]H)	C[6,6,6a](C[3x6]C[5,3x6]O[6,6]H)(C[6,6,6a]C[4x6]C[6a])(C[6a]C[5,6a]H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[3x6](C[5,3x6]C[5,4x6]C[5]C[6])(C[6,6,6a]C[6,6,6a]C[6a])(O[6,6]C[3x6])(H){2|C<3>,2|O<2>,4|C<4>,6|H<1>}	C[6,6,6a](C[4x6]C[5,4x6]C[3x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[5,6a]H){1|C<3>,2|C<4>,3|H<1>,4|O<2>}	111.3360	0.000	1	111.3360	0.000	1	111.0305	0.175	4	111.2942	0.479	5	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	4:3:3:	4:3:2:1:	4:3:3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[5,3x6]-4:C[6,6,6a]-3:O[6,6]-2:H-1:	C[4x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a](C[3x6]C[5,3x6]O[6,6]H)(C[6,6,6a]C[4x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[5,3x6]C[5,4x6]C[5]C[6])(C[6,6,6a]C[6,6,6a]C[6a])(O[6,6]C[3x6])(H)	C[6,6,6a](C[4x6]C[5,4x6]C[3x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[5,3x6]O[6,6]H)(C[6,6,6a]C[4x6]C[6a])(C[6a]C[6a]H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[3x6](C[5,3x6]C[5,4x6]C[5]C[6])(C[6,6,6a]C[6,6,6a]C[6a])(O[6,6]C[3x6])(H){2|C<3>,2|O<2>,4|C<4>,6|H<1>}	C[6,6,6a](C[4x6]C[5,4x6]C[3x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<3>,2|C<4>,3|O<2>,4|H<1>}	111.3180	0.000	1	111.3180	0.000	1	111.0305	0.175	4	111.2942	0.479	5	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	4:3:3:	4:3:2:1:	4:3:3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[5,3x6]-4:C[6,6,6a]-3:O[6,6]-2:H-1:	C[4x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a](C[3x6]C[5,3x6]O[6,6]H)(C[6,6,6a]C[4x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[5,3x6]C[5,4x6]C[5]C[6])(C[6,6,6a]C[6,6,6a]C[6a])(O[6,6]C[3x6])(H)	C[6,6,6a](C[4x6]C[5,4x6]C[3x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]O)	C[6,6,6a](C[3x6]C[5,3x6]O[6,6]H)(C[6,6,6a]C[4x6]C[6a])(C[6a]C[6a]H){1|C<3>,1|H<1>,2|O<2>,4|C<4>}	C[3x6](C[5,3x6]C[5,4x6]C[5]C[6])(C[6,6,6a]C[6,6,6a]C[6a])(O[6,6]C[3x6])(H){2|C<3>,2|O<2>,4|C<4>,6|H<1>}	C[6,6,6a](C[4x6]C[5,4x6]C[3x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]O){1|C<3>,2|C<4>,3|O<2>,4|H<1>}	110.7340	0.416	2	110.7340	0.173	2	111.0305	0.175	4	111.2942	0.479	5	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	4:3:3:	4:3:3:1:	4:3:3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	B[5,5,6,6]-4:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a](C[3x6]B[5,5,6,6]C[6,6,6a]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](B[5,5,6,6]B[5,5,6,6]N[5,5]S[5])(C[6,6,6a]C[6,6,6a]C[6a])2(H)	C[6,6,6a](C[3x6]B[5,5,6,6]C[6,6,6a]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]B[5,5,6,6]C[6,6,6a]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|B<4>,1|N<3>,1|S<2>,3|C<3>,3|H<1>}	C[3x6](B[5,5,6,6]B[5,5,6,6]N[5,5]S[5])(C[6,6,6a]C[6,6,6a]C[6a])2(H){1|C<4>,1|N<3>,1|S<2>,2|H<1>,7|C<3>}	C[6,6,6a](C[3x6]B[5,5,6,6]C[6,6,6a]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|B<4>,1|N<3>,1|S<2>,3|C<3>,3|H<1>}	115.7447	0.197	4	115.7447	0.039	4	115.7447	0.039	4	113.3916	0.818	81	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	4:3:3:	4:3:3:1:	4:3:3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[5,3x6]-4:C[6,6,6a]-3:C[3x6]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a](C[3x6]C[5,3x6]C[3x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[5,3x6]C[5,3x6]C[5,5,6]H)(C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]C[3x6]C[6])(H)	C[6,6,6a](C[3x6]C[5,3x6]C[3x6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[5,3x6]C[3x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	C[3x6](C[5,3x6]C[5,3x6]C[5,5,6]H)(C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]C[3x6]C[6])(H){1|O<1>,3|H<1>,4|C<3>,4|C<4>}	C[6,6,6a](C[3x6]C[5,3x6]C[3x6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	114.0660	0.000	1	114.0660	0.000	1	114.0660	0.000	1	113.3916	0.818	81	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	4:3:3:	4:3:3:1:	4:3:3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[5,3x6]-4:C[6,6,6a]-3:C[6,6,6a]-3:Br-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a](C[3x6]C[6,6,6a]C[5,3x6]Br)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[5,3x6]C[5,3x6]C[5]S[6])(C[6,6,6a]C[6,6,6a]C[6a])2(Br)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,3x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,3x6]Br)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,1|S<2>,3|H<1>,4|C<3>}	C[3x6](C[5,3x6]C[5,3x6]C[5]S[6])(C[6,6,6a]C[6,6,6a]C[6a])2(Br){1|C<4>,1|N<3>,1|O<1>,1|S<2>,2|H<1>,6|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[5,3x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|S<2>,2|H<1>,4|C<3>}	112.6557	2.320	4	112.6557	5.381	4	112.6557	5.381	4	113.3916	0.818	81	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	4:3:3:	4:3:3:1:	4:3:3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[5,3x6]-4:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a](C[3x6]C[6,6,6a]C[5,3x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[5,3x6]C[5,3x6]C[5]S[6])(C[6,6,6a]C[6,6,6a]C[6a])2(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,3x6]Br)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,3x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|S<2>,2|H<1>,4|C<3>}	C[3x6](C[5,3x6]C[5,3x6]C[5]S[6])(C[6,6,6a]C[6,6,6a]C[6a])2(H){1|C<4>,1|N<3>,1|O<1>,1|S<2>,2|H<1>,6|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[5,3x6]Br)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,1|S<2>,3|H<1>,4|C<3>}	113.3695	2.403	4	113.3695	5.776	4	113.4957	3.509	6	113.3916	0.818	81	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	4:3:3:	4:3:3:1:	4:3:3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[5,3x6]-4:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a](C[3x6]C[6,6,6a]C[5,3x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[5,3x6]C[5,3x6]C[5]S[6])(C[6,6,6a]C[6,6,6a]C[6a])2(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,3x6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,3x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,1|S<2>,2|H<1>,5|C<3>}	C[3x6](C[5,3x6]C[5,3x6]C[5]S[6])(C[6,6,6a]C[6,6,6a]C[6a])2(H){1|C<4>,1|N<3>,1|O<1>,1|S<2>,2|H<1>,6|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[5,3x6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,1|S<2>,3|H<1>,4|C<3>}	113.7480	0.160	2	113.7480	0.026	2	113.4957	3.509	6	113.3916	0.818	81	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	4:3:3:	4:3:3:1:	4:3:3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[5,3x6]-4:C[6,6,6a]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a](C[3x6]C[5,3x6]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6,6,6a]O)	C[3x6](C[5,3x6]C[5,3x6]C[5,5,6]H)(C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]H)(H)	C[6,6,6a](C[3x6]C[5,3x6]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6,6,6a]O)	C[6,6,6a](C[3x6]C[5,3x6]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6,6,6a]O){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[3x6](C[5,3x6]C[5,3x6]C[5,5,6]H)(C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]H)(H){1|Cl<1>,1|O<2>,2|H<1>,3|C<3>,3|C<4>}	C[6,6,6a](C[3x6]C[5,3x6]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6,6,6a]O){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	113.0258	0.166	4	113.0258	0.028	4	113.0258	0.028	4	113.3916	0.818	81	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	4:3:3:	4:3:3:1:	4:3:3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[5,4x6]-4:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a](C[3x6]C[6,6,6a]C[5,4x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a,6a]H)	C[3x6](C[5,4x6]C[5,6,6a]2C[5,4x6])(C[6,6,6a]C[6,6,6a]C[6a])2(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,4x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a,6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,4x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a,6a]H){1|C<4>,2|H<1>,6|C<3>}	C[3x6](C[5,4x6]C[5,6,6a]2C[5,4x6])(C[6,6,6a]C[6,6,6a]C[6a])2(H){10|C<3>,1|C<4>,2|H<1>}	C[6,6,6a](C[3x6]C[6,6,6a]C[5,4x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a,6a]H){1|C<4>,2|H<1>,6|C<3>}	112.9642	0.138	4	112.9642	0.019	4	113.2907	0.084	58	113.3916	0.818	81	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	4:3:3:	4:3:3:1:	4:3:3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[5,4x6]-4:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a](C[3x6]C[6,6,6a]C[5,4x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]Br)	C[3x6](C[5,4x6]C[5,4x6]C[3x6]C[5])(C[6,6,6a]C[6,6,6a]C[6a])2(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,4x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]Br)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,4x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]Br){1|Br<1>,2|C<4>,2|H<1>,4|C<3>}	C[3x6](C[5,4x6]C[5,4x6]C[3x6]C[5])(C[6,6,6a]C[6,6,6a]C[6a])2(H){1|Br<1>,1|O<1>,1|O<2>,2|C<4>,2|H<1>,7|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[5,4x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]Br){1|Br<1>,2|C<4>,2|H<1>,4|C<3>}	113.3555	0.111	2	113.3555	0.012	2	113.2907	0.084	58	113.3916	0.818	81	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	4:3:3:	4:3:3:1:	4:3:3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[5,4x6]-4:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a](C[3x6]C[6,6,6a]C[5,4x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]C)	C[3x6](C[5,4x6]C[5,4x6]C[3x6]C[5])(C[6,6,6a]C[6,6,6a]C[6a])2(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,4x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]C)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,4x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]C){1|C<2>,2|C<4>,2|H<1>,4|C<3>}	C[3x6](C[5,4x6]C[5,4x6]C[3x6]C[5])(C[6,6,6a]C[6,6,6a]C[6a])2(H){1|C<2>,1|O<1>,1|O<2>,2|C<4>,2|H<1>,7|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[5,4x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]C){1|C<2>,2|C<4>,2|H<1>,4|C<3>}	113.5855	0.248	2	113.3980	0.073	4	113.2907	0.084	58	113.3916	0.818	81	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	4:3:3:	4:3:3:1:	4:3:3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[5,4x6]-4:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a](C[3x6]C[6,6,6a]C[5,4x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]C)	C[3x6](C[5,4x6]C[5,4x6]C[3x6]C[5])(C[6,6,6a]C[6,6,6a]C[6a])2(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,4x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]C)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,4x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<4>,4|C<3>}	C[3x6](C[5,4x6]C[5,4x6]C[3x6]C[5])(C[6,6,6a]C[6,6,6a]C[6a])2(H){1|O<1>,1|O<2>,2|H<1>,3|C<4>,7|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[5,4x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<4>,4|C<3>}	113.2105	0.132	2	113.3980	0.073	4	113.2907	0.084	58	113.3916	0.818	81	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	4:3:3:	4:3:3:1:	4:3:3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[5,4x6]-4:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a](C[3x6]C[6,6,6a]C[5,4x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[5,4x6]C[5,4x6]C[3x6]C[5])(C[6,6,6a]C[6,6,6a]C[6a])2(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,4x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,4x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	C[3x6](C[5,4x6]C[5,4x6]C[3x6]C[5])(C[6,6,6a]C[6,6,6a]C[6a])2(H){1|Br<1>,1|O<1>,1|O<2>,2|C<4>,2|H<1>,7|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[5,4x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	113.3160	0.399	2	113.3865	0.065	28	113.2907	0.084	58	113.3916	0.818	81	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	4:3:3:	4:3:3:1:	4:3:3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[5,4x6]-4:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a](C[3x6]C[6,6,6a]C[5,4x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[5,4x6]C[5,4x6]C[3x6]C[5])(C[6,6,6a]C[6,6,6a]C[6a])2(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,4x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,4x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	C[3x6](C[5,4x6]C[5,4x6]C[3x6]C[5])(C[6,6,6a]C[6,6,6a]C[6a])2(H){1|C<2>,1|O<1>,1|O<2>,2|C<4>,2|H<1>,7|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[5,4x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	113.3175	0.428	2	113.3865	0.065	28	113.2907	0.084	58	113.3916	0.818	81	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	4:3:3:	4:3:3:1:	4:3:3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[5,4x6]-4:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a](C[3x6]C[6,6,6a]C[5,4x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[5,4x6]C[5,4x6]C[3x6]C[5])(C[6,6,6a]C[6,6,6a]C[6a])2(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,4x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,4x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	C[3x6](C[5,4x6]C[5,4x6]C[3x6]C[5])(C[6,6,6a]C[6,6,6a]C[6a])2(H){1|O<1>,1|O<2>,2|C<4>,3|H<1>,7|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[5,4x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	113.4359	0.240	20	113.3865	0.065	28	113.2907	0.084	58	113.3916	0.818	81	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	4:3:3:	4:3:3:1:	4:3:3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[5,4x6]-4:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a](C[3x6]C[6,6,6a]C[5,4x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[5,4x6]C[5,4x6]C[3x6]C[5])(C[6,6,6a]C[6,6,6a]C[6a])2(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,4x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,4x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	C[3x6](C[5,4x6]C[5,4x6]C[3x6]C[5])(C[6,6,6a]C[6,6,6a]C[6a])2(H){1|O<1>,1|O<2>,2|H<1>,3|C<4>,7|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[5,4x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	113.1380	0.132	2	113.3865	0.065	28	113.2907	0.084	58	113.3916	0.818	81	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	4:3:3:	4:3:3:1:	4:3:3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[5,4x6]-4:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a](C[3x6]C[6,6,6a]C[5,4x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[5,4x6]C[5,4x6]C[3x6]C[5])(C[6,6,6a]C[6,6,6a]C[6a])2(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,4x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,4x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	C[3x6](C[5,4x6]C[5,4x6]C[3x6]C[5])(C[6,6,6a]C[6,6,6a]C[6a])2(H){1|O<1>,2|C<4>,2|H<1>,2|O<2>,7|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[5,4x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	113.2805	0.289	2	113.3865	0.065	28	113.2907	0.084	58	113.3916	0.818	81	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	4:3:3:	4:3:3:1:	4:3:3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[5,4x6]-4:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a](C[3x6]C[6,6,6a]C[5,4x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[5,4x6]C[5,6,6a]2C[5,4x6])(C[6,6,6a]C[6,6,6a]C[6a])2(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,4x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,4x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,3|H<1>,5|C<3>}	C[3x6](C[5,4x6]C[5,6,6a]2C[5,4x6])(C[6,6,6a]C[6,6,6a]C[6a])2(H){10|C<3>,1|C<4>,2|H<1>}	C[6,6,6a](C[3x6]C[6,6,6a]C[5,4x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,3|H<1>,5|C<3>}	113.1327	0.260	18	113.1327	0.068	18	113.2907	0.084	58	113.3916	0.818	81	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	4:3:3:	4:3:3:1:	4:3:3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[5,4x6]-4:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a](C[3x6]C[6,6,6a]C[5,4x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]O)	C[3x6](C[5,4x6]C[5,4x6]C[3x6]C[5])(C[6,6,6a]C[6,6,6a]C[6a])2(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,4x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]O)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,4x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]O){1|O<2>,2|C<4>,2|H<1>,4|C<3>}	C[3x6](C[5,4x6]C[5,4x6]C[3x6]C[5])(C[6,6,6a]C[6,6,6a]C[6a])2(H){1|O<1>,2|C<4>,2|H<1>,2|O<2>,7|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[5,4x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]O){1|O<2>,2|C<4>,2|H<1>,4|C<3>}	113.7465	0.081	2	113.7465	0.007	2	113.2907	0.084	58	113.3916	0.818	81	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	4:3:3:	4:3:3:1:	4:3:3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[5,5,3x6]-4:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a](C[3x6]C[5,5,3x6]C[6,6,6a]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]Br)	C[3x6](C[5,5,3x6]C[5,5,3x6]C[5,5,6]C[5])(C[6,6,6a]C[6,6,6a]C[6a])2(H)	C[6,6,6a](C[3x6]C[5,5,3x6]C[6,6,6a]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]Br)	C[6,6,6a](C[3x6]C[5,5,3x6]C[6,6,6a]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]Br){2|Br<1>,1|H<1>,2|C<4>,4|C<3>}	C[3x6](C[5,5,3x6]C[5,5,3x6]C[5,5,6]C[5])(C[6,6,6a]C[6,6,6a]C[6a])2(H){1|Br<1>,1|O<1>,1|O<2>,2|H<1>,4|C<4>,5|C<3>}	C[6,6,6a](C[3x6]C[5,5,3x6]C[6,6,6a]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]Br){2|Br<1>,1|H<1>,2|C<4>,4|C<3>}	113.3285	0.213	2	113.3285	0.045	2	113.2788	0.236	4	113.3916	0.818	81	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	4:3:3:	4:3:3:1:	4:3:3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[5,5,3x6]-4:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a](C[3x6]C[5,5,3x6]C[6,6,6a]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[5,5,3x6]C[5,5,3x6]C[5,5,6]C[5])(C[6,6,6a]C[6,6,6a]C[6a])2(H)	C[6,6,6a](C[3x6]C[5,5,3x6]C[6,6,6a]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[5,5,3x6]C[6,6,6a]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	C[3x6](C[5,5,3x6]C[5,5,3x6]C[5,5,6]C[5])(C[6,6,6a]C[6,6,6a]C[6a])2(H){1|Br<1>,1|O<1>,1|O<2>,2|H<1>,4|C<4>,5|C<3>}	C[6,6,6a](C[3x6]C[5,5,3x6]C[6,6,6a]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	113.2290	0.808	2	113.2290	0.652	2	113.2788	0.236	4	113.3916	0.818	81	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	4:3:3:	4:3:3:3:	4:3:3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[5,3x6]-4:C[6,6,6a]-3:C[3x6]-3:C-3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a](C[3x6]C[5,3x6]C[3x6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[5,3x6]C[5,3x6]C[5,5,6]H)(C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]C[3x6]C[6])(CC[6a]O)	C[6,6,6a](C[3x6]C[5,3x6]C[3x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[5,3x6]C[3x6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	C[3x6](C[5,3x6]C[5,3x6]C[5,5,6]H)(C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]C[3x6]C[6])(CC[6a]O){1|O<1>,3|H<1>,4|C<3>,4|C<4>}	C[6,6,6a](C[3x6]C[5,3x6]C[3x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	113.4080	0.000	1	113.4080	0.000	1	113.4080	0.000	1	113.6480	0.115	2	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	4:3:3:	4:3:3:3:	4:3:3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[5,3x6]-4:C[6,6,6a]-3:C[6,6,6a]-3:C-3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a](C[3x6]C[6,6,6a]C[5,3x6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[5,3x6]C[5,3x6]C[5]S[6])(C[6,6,6a]C[6,6,6a]C[6a])2(CCH)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,3x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,3x6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,1|S<2>,3|H<1>,4|C<3>}	C[3x6](C[5,3x6]C[5,3x6]C[5]S[6])(C[6,6,6a]C[6,6,6a]C[6a])2(CCH){1|C<4>,1|N<3>,1|O<1>,1|S<2>,2|H<1>,6|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[5,3x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,1|S<2>,2|H<1>,5|C<3>}	113.8880	0.000	1	113.8880	0.000	1	113.8880	0.000	1	113.6480	0.115	2	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	4:3:3:	4:3:4:1:	4:3:3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[5,3x6]-4:C[6,6,6a]-3:C[3x6]-4:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a](C[3x6]C[5,3x6]C[3x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[5,3x6]C[5,3x6]C[5,5,6]H)(C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]C[3x6]C[6]H)(H)	C[6,6,6a](C[3x6]C[5,3x6]C[3x6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[5,3x6]C[3x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){3|C<3>,3|C<4>,4|H<1>}	C[3x6](C[5,3x6]C[5,3x6]C[5,5,6]H)(C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]C[3x6]C[6]H)(H){1|O<1>,4|C<3>,4|C<4>,4|H<1>}	C[6,6,6a](C[3x6]C[5,3x6]C[3x6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){2|C<3>,3|C<4>,5|H<1>}	115.0430	0.000	1	115.0430	0.000	1	115.0430	0.000	1	113.0580	1.982	4	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	4:3:3:	4:3:4:1:	4:3:3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[5,3x6]-4:C[6,6,6a]-3:C[6,6]-4:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a](C[3x6]C[5,3x6]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[5,3x6]C[5,3x6]C[6]O[5])(C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]O[6,6]HH)(H)	C[6,6,6a](C[3x6]C[5,3x6]O[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[5,3x6]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<3>,2|C<4>,2|O<2>,5|H<1>}	C[3x6](C[5,3x6]C[5,3x6]C[6]O[5])(C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]O[6,6]HH)(H){2|C<3>,3|H<1>,5|C<4>}	C[6,6,6a](C[3x6]C[5,3x6]O[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	111.7530	0.000	1	111.7530	0.000	1	111.7530	0.000	1	113.0580	1.982	4	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	4:3:3:	4:3:4:1:	4:3:3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[5,6,6]-4:C[6,6,6a]-3:C[6,6]-4:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a](C[3x6]C[5,6,6]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[5,6,6]C[5,6,6]C[5,6]Ru)(C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)(H)	C[6,6,6a](C[3x6]C[5,6,6]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[5,6,6]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|Ru<10>,1|C<3>,3|C<4>,5|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5,6]Ru)(C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)(H){3|C<3>,3|C<4>,3|H<1>}	C[6,6,6a](C[3x6]C[5,6,6]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|Ru<10>,1|C<3>,3|C<4>,5|H<1>}	112.7180	0.270	2	112.7180	0.073	2	112.7180	0.073	2	113.0580	1.982	4	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	4:3:3:	4:3:4:3:	4:3:3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[5,3x6]-4:C[6,6,6a]-3:C[3x6]-4:C-3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a](C[3x6]C[5,3x6]C[3x6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[3x6](C[5,3x6]C[5,3x6]C[5,5,6]H)(C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]C[3x6]C[6]H)(CC[6a]O)	C[6,6,6a](C[3x6]C[5,3x6]C[3x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[5,3x6]C[3x6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){2|C<3>,3|C<4>,5|H<1>}	C[3x6](C[5,3x6]C[5,3x6]C[5,5,6]H)(C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]C[3x6]C[6]H)(CC[6a]O){1|O<1>,4|C<3>,4|C<4>,4|H<1>}	C[6,6,6a](C[3x6]C[5,3x6]C[3x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){3|C<3>,3|C<4>,4|H<1>}	112.3360	0.000	1	112.3360	0.000	1	112.3360	0.000	1	112.3360	0.000	1	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	4:3:3:	6:3:3:1:	4:3:3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[5x3,5x5,22x6]-6:C[6,6,6a]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a](C[3x6]C[5x3,5x5,22x6]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a,6a]H)	C[3x6](C[5x3,5x5,22x6]B[5x3,5x5,20x6]4C[5x3,5x5,22x6])(C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]H)(H)	C[6,6,6a](C[3x6]C[5x3,5x5,22x6]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a,6a]H)	C[6,6,6a](C[3x6]C[5x3,5x5,22x6]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a,6a]H){1|C<6>,3|C<3>,3|H<1>,4|B<6>}	C[3x6](C[5x3,5x5,22x6]B[5x3,5x5,20x6]4C[5x3,5x5,22x6])(C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]H)(H){1|C<4>,2|C<3>,5|B<6>,6|H<1>}	C[6,6,6a](C[3x6]C[5x3,5x5,22x6]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a,6a]H){1|C<6>,3|C<3>,3|H<1>,4|B<6>}	112.9145	0.073	2	112.9145	0.005	2	112.9145	0.005	2	113.1608	0.127	4	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	4:3:3:	6:3:3:1:	4:3:3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[5x3,5x5,22x6]-6:C[6,6,6a]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6a,6a]-3:C[6,6,6a]-3:	C[6,6,6a](C[3x6]C[5x3,5x5,22x6]C[6,6]H)(C[6,6,6a]C[6a,6a]C[3x6])(C[6a]C[6a]H)	C[3x6](C[5x3,5x5,22x6]B[5x3,5x5,20x6]4C[5x3,5x5,22x6])(C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]H)(H)	C[6,6,6a](C[3x6]C[5x3,5x5,22x6]C[6,6]H)(C[6a,6a]C[6a,6a]C[6a])(C[6,6,6a]C[3x6]C[6a])	C[6,6,6a](C[3x6]C[5x3,5x5,22x6]C[6,6]H)(C[6,6,6a]C[6a,6a]C[3x6])(C[6a]C[6a]H){1|C<6>,3|C<3>,3|H<1>,4|B<6>}	C[3x6](C[5x3,5x5,22x6]B[5x3,5x5,20x6]4C[5x3,5x5,22x6])(C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]H)(H){1|C<4>,2|C<3>,5|B<6>,6|H<1>}	C[6,6,6a](C[3x6]C[5x3,5x5,22x6]C[6,6]H)(C[6a,6a]C[6a,6a]C[6a])(C[6,6,6a]C[3x6]C[6a]){1|C<6>,4|B<6>,4|C<3>,4|H<1>}	113.6640	0.000	1	113.6640	0.000	1	113.6640	0.000	1	113.1608	0.127	4	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6,6a]	4:3:3:	6:3:3:1:	4:3:3:	C[3x6]-4:C[6a,6a]-3:C[6,6,6a]-3:	C[5x3,5x5,22x6]-6:C[6,6,6a]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a](C[3x6]C[5x3,5x5,22x6]C[6,6]H)(C[6a,6a]C[6a,6a]C[6a])(C[6,6,6a]C[3x6]C[6a])	C[3x6](C[5x3,5x5,22x6]B[5x3,5x5,20x6]4C[5x3,5x5,22x6])(C[6,6,6a]C[6,6,6a]C[6a,6a])(C[6,6]C[6,6]H)(H)	C[6,6,6a](C[3x6]C[5x3,5x5,22x6]C[6,6]H)(C[6,6,6a]C[6a,6a]C[3x6])(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[5x3,5x5,22x6]C[6,6]H)(C[6a,6a]C[6a,6a]C[6a])(C[6,6,6a]C[3x6]C[6a]){1|C<6>,4|B<6>,4|C<3>,4|H<1>}	C[3x6](C[5x3,5x5,22x6]B[5x3,5x5,20x6]4C[5x3,5x5,22x6])(C[6,6,6a]C[6,6,6a]C[6a,6a])(C[6,6]C[6,6]H)(H){1|C<4>,3|C<3>,5|B<6>,5|H<1>}	C[6,6,6a](C[3x6]C[5x3,5x5,22x6]C[6,6]H)(C[6,6,6a]C[6a,6a]C[3x6])(C[6a]C[6a]H){1|C<6>,3|C<3>,3|H<1>,4|B<6>}	113.1500	0.000	1	113.1500	0.000	1	113.1500	0.000	1	113.1608	0.127	4	113.2843	0.817	2501	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6a,6a]	3:4:3:	3:3:4:3:	3:3:3:	C[6,6a,6a]-3:C[3x6]-4:C[5,6,6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a,6a]-3:C[6,6,6a]-3:C[5,6a,6a]-3:	C[6,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[3x6]C[6,6,6a]C[6,6]C[6a])(C[5,6,6a]C[5,6a,6a]C[5,6])	C[3x6](C[6,6,6a]C[6,6a,6a]C[5,6,6a])(C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[6,6]C[6a]N[6]O[6])(C[6a]C[6a]2)	C[6,6a,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[6,6,6a]C[5,6,6a]C[3x6])(C[5,6a,6a]C[5,6a,6a]2)	C[6,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[3x6]C[6,6,6a]C[6,6]C[6a])(C[5,6,6a]C[5,6a,6a]C[5,6]){10|C<3>,1|H<1>,1|N<3>,1|O<2>}	C[3x6](C[6,6,6a]C[6,6a,6a]C[5,6,6a])(C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[6,6]C[6a]N[6]O[6])(C[6a]C[6a]2){2|C<4>,3|H<1>,9|C<3>}	C[6,6a,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[6,6,6a]C[5,6,6a]C[3x6])(C[5,6a,6a]C[5,6a,6a]2){2|C<4>,8|C<3>}	119.1010	0.000	1	119.1010	0.000	1	119.1010	0.000	1	118.3505	1.127	2	118.3505	1.127	2	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6a,6a]	3:4:3:	3:3:4:3:	3:3:3:	C[6,6a,6a]-3:C[3x6]-4:C[6,6,6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a,6a]-3:C[6,6,6a]-3:C[5a,6a,6a]-3:	C[6,6,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[3x6]C[6,6,6a]C[6,6]C[6a])(C[6,6,6a]C[6,6a,6a]C[6,6])	C[3x6](C[6,6,6a]C[6,6a,6a]C[5,6,6a])(C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[6,6]C[6a]N[6]O[6])(C[6a]C[6a]2)	C[6,6a,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[6,6,6a]C[6,6,6a]C[3x6])(C[5a,6a,6a]C[5a,6a,6a]2)	C[6,6,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[3x6]C[6,6,6a]C[6,6]C[6a])(C[6,6,6a]C[6,6a,6a]C[6,6]){11|C<3>,1|N<3>,1|O<2>}	C[3x6](C[6,6,6a]C[6,6a,6a]C[5,6,6a])(C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[6,6]C[6a]N[6]O[6])(C[6a]C[6a]2){2|C<4>,3|H<1>,9|C<3>}	C[6,6a,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[6,6,6a]C[6,6,6a]C[3x6])(C[5a,6a,6a]C[5a,6a,6a]2){2|C<4>,8|C<3>}	117.6000	0.000	1	117.6000	0.000	1	117.6000	0.000	1	118.3505	1.127	2	118.3505	1.127	2	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6a]	3:3:4:	3:4:3:1:	3:3:2:	C[6,6a]-3:C[6,6a]-3:C[3x6]-4:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-3:H-1:	C[6,6,6a]-3:C[6a]-3:O[6]-2:	C[6,6,6a](C[6,6a]C[6a]O[6])2(C[3x6]C[6,6]2H)	C[3x6](C[6,6,6a]C[6,6a]2)(C[6,6]C[6]2H)(C[6,6]C[6]2)(H)	C[6,6a](C[6,6,6a]C[6,6a]C[3x6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6,6a](C[6,6a]C[6a]O[6])2(C[3x6]C[6,6]2H){1|C<4>,3|H<1>,4|C<3>}	C[3x6](C[6,6,6a]C[6,6a]2)(C[6,6]C[6]2H)(C[6,6]C[6]2)(H){1|C<4>,2|H<1>,2|O<1>,2|O<2>,3|C<3>}	C[6,6a](C[6,6,6a]C[6,6a]C[3x6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	120.8765	1.723	2	120.8765	2.969	2	120.8765	2.969	2	120.8765	2.969	2	120.1617	5.768	50	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6a]	3:3:4:	3:4:4:1:	3:3:2:	C[5a,6,6a]-3:C[6,6a]-3:C[3x6]-4:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-4:H-1:	C[6,6,6a]-3:C[6a]-3:O[6]-2:	C[6,6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6,6a]C[6a]O[6])(C[3x6]C[6,6]2H)	C[3x6](C[6,6,6a]C[5a,6,6a]C[6,6a])(C[6,6]C[6,6]HH)(C[6,6]C[6]2H)(H)	C[6,6a](C[6,6,6a]C[5a,6,6a]C[3x6])(C[6a]C[6a]C)(O[6]C[6,6])	C[6,6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6,6a]C[6a]O[6])(C[3x6]C[6,6]2H){3|C<3>,3|H<1>,4|C<4>}	C[3x6](C[6,6,6a]C[5a,6,6a]C[6,6a])(C[6,6]C[6,6]HH)(C[6,6]C[6]2H)(H){1|N<3>,1|O<2>,2|C<3>,2|H<1>,4|C<4>}	C[6,6a](C[6,6,6a]C[5a,6,6a]C[3x6])(C[6a]C[6a]C)(O[6]C[6,6]){1|C<3>,1|N<3>,2|H<1>,4|C<4>}	126.2470	0.000	1	126.2470	0.000	1	124.8310	1.678	3	121.2690	14.191	9	120.1617	5.768	50	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6a]	3:3:4:	3:4:4:1:	3:3:2:	C[5a,6,6a]-3:C[6,6a]-3:C[3x6]-4:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-4:H-1:	C[6,6,6a]-3:C[6a]-3:O[6]-2:	C[6,6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6,6a]C[6a]O[6])(C[3x6]C[6,6]2H)	C[3x6](C[6,6,6a]C[5a,6,6a]C[6,6a])(C[6,6]C[6]2H)2(H)	C[6,6a](C[6,6,6a]C[5a,6,6a]C[3x6])(C[6a]C[6a]C)(O[6]C[6])	C[6,6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6,6a]C[6a]O[6])(C[3x6]C[6,6]2H){2|H<1>,4|C<3>,4|C<4>}	C[3x6](C[6,6,6a]C[5a,6,6a]C[6,6a])(C[6,6]C[6]2H)2(H){1|N<3>,1|O<2>,2|H<1>,3|C<3>,5|C<4>}	C[6,6a](C[6,6,6a]C[5a,6,6a]C[3x6])(C[6a]C[6a]C)(O[6]C[6]){1|C<3>,1|N<3>,2|H<1>,4|C<4>}	124.1230	0.590	2	124.1230	0.348	2	124.8310	1.678	3	121.2690	14.191	9	120.1617	5.768	50	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6a]	3:3:4:	3:4:4:1:	3:3:2:	C[6,6a]-3:C[6,6a]-3:C[3x6]-4:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-4:H-1:	C[6,6,6a]-3:C[6a]-3:O[6]-2:	C[6,6,6a](C[6,6a]C[6a]O[6])2(C[3x6]C[6,6]2H)	C[3x6](C[6,6,6a]C[6,6a]2)(C[6,6]C[6,6]HH)(C[6,6]C[6]2H)(H)	C[6,6a](C[6,6,6a]C[6,6a]C[3x6])(C[6a]C[6a]C)(O[6]C[6,6])	C[6,6,6a](C[6,6a]C[6a]O[6])2(C[3x6]C[6,6]2H){2|C<3>,3|H<1>,4|C<4>}	C[3x6](C[6,6,6a]C[6,6a]2)(C[6,6]C[6,6]HH)(C[6,6]C[6]2H)(H){2|C<3>,2|H<1>,2|O<2>,4|C<4>}	C[6,6a](C[6,6,6a]C[6,6a]C[3x6])(C[6a]C[6a]C)(O[6]C[6,6]){1|C<3>,1|H<1>,2|O<2>,4|C<4>}	123.0090	0.000	1	123.0090	0.000	1	119.4880	10.615	6	121.2690	14.191	9	120.1617	5.768	50	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6a]	3:3:4:	3:4:4:1:	3:3:2:	C[6,6a]-3:C[6,6a]-3:C[3x6]-4:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-4:H-1:	C[6,6,6a]-3:C[6a]-3:O[6]-2:	C[6,6,6a](C[6,6a]C[6a]O[6])2(C[3x6]C[6,6]2H)	C[3x6](C[6,6,6a]C[6,6a]2)(C[6,6]C[6,6]HH)(C[6,6]C[6]2H)(H)	C[6,6a](C[6,6,6a]C[6,6a]C[3x6])(C[6a]C[6a]C)(O[6]C[6])	C[6,6,6a](C[6,6a]C[6a]O[6])2(C[3x6]C[6,6]2H){2|C<3>,3|C<4>,4|H<1>}	C[3x6](C[6,6,6a]C[6,6a]2)(C[6,6]C[6,6]HH)(C[6,6]C[6]2H)(H){2|C<3>,2|H<1>,2|O<2>,4|C<4>}	C[6,6a](C[6,6,6a]C[6,6a]C[3x6])(C[6a]C[6a]C)(O[6]C[6]){1|C<3>,1|H<1>,2|O<2>,4|C<4>}	116.3285	0.282	2	116.5373	0.171	3	119.4880	10.615	6	121.2690	14.191	9	120.1617	5.768	50	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6a]	3:3:4:	3:4:4:1:	3:3:2:	C[6,6a]-3:C[6,6a]-3:C[3x6]-4:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-4:H-1:	C[6,6,6a]-3:C[6a]-3:O[6]-2:	C[6,6,6a](C[6,6a]C[6a]O[6])2(C[3x6]C[6,6]2H)	C[3x6](C[6,6,6a]C[6,6a]2)(C[6,6]C[6,6]HH)(C[6,6]C[6]2H)(H)	C[6,6a](C[6,6,6a]C[6,6a]C[3x6])(C[6a]C[6a]C)(O[6]C[6])	C[6,6,6a](C[6,6a]C[6a]O[6])2(C[3x6]C[6,6]2H){2|C<3>,3|H<1>,4|C<4>}	C[3x6](C[6,6,6a]C[6,6a]2)(C[6,6]C[6,6]HH)(C[6,6]C[6]2H)(H){2|C<3>,2|H<1>,2|O<2>,4|C<4>}	C[6,6a](C[6,6,6a]C[6,6a]C[3x6])(C[6a]C[6a]C)(O[6]C[6]){1|C<3>,1|H<1>,2|O<2>,4|C<4>}	116.9550	0.000	1	116.5373	0.171	3	119.4880	10.615	6	121.2690	14.191	9	120.1617	5.768	50	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6a]	3:3:4:	3:4:4:1:	3:3:2:	C[6,6a]-3:C[6,6a]-3:C[3x6]-4:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-4:H-1:	C[6,6,6a]-3:C[6a]-3:O[6]-2:	C[6,6,6a](C[6,6a]C[6a]O[6])2(C[3x6]C[6,6]2H)	C[3x6](C[6,6,6a]C[6,6a]2)(C[6,6]C[6,6]HH)(C[6,6]C[6]2H)(H)	C[6,6a](C[6,6,6a]C[6,6a]C[3x6])(C[6a]C[6a]H)(O[6]C[6,6])	C[6,6,6a](C[6,6a]C[6a]O[6])2(C[3x6]C[6,6]2H){2|C<3>,3|C<4>,4|H<1>}	C[3x6](C[6,6,6a]C[6,6a]2)(C[6,6]C[6,6]HH)(C[6,6]C[6]2H)(H){2|C<3>,2|H<1>,2|O<2>,4|C<4>}	C[6,6a](C[6,6,6a]C[6,6a]C[3x6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<3>,1|H<1>,2|O<2>,4|C<4>}	122.1535	0.095	2	122.1535	0.009	2	119.4880	10.615	6	121.2690	14.191	9	120.1617	5.768	50	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6a]	3:4:3:	3:2:4:4:	3:3:3:	C[6,6a]-3:C[3x6]-4:C[6,6a]-3:	C[6,6,6a]-3:O[6,6]-2:C[6]-4:C[6]-4:	C[6,6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6,6a](C[6,6a]N[5,6]C[6a])(C[3x6]O[6,6]C[6]2)(C[6,6a]C[6a]C[6])	C[3x6](C[6,6,6a]C[6,6a]2)(O[6,6]C[5,6,6])(C[6]C[6]HH)(C[6]C[6]HO)	C[6,6a](C[6,6,6a]C[6,6a]C[3x6])(N[5,6]C[5,6,6]C[5])(C[6a]C[6a]H)	C[6,6,6a](C[6,6a]N[5,6]C[6a])(C[3x6]O[6,6]C[6]2)(C[6,6a]C[6a]C[6]){1|O<2>,2|C<3>,3|C<4>,7|H<1>}	C[3x6](C[6,6,6a]C[6,6a]2)(O[6,6]C[5,6,6])(C[6]C[6]HH)(C[6]C[6]HO){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6,6a]C[6,6a]C[3x6])(N[5,6]C[5,6,6]C[5])(C[6a]C[6a]H){1|O<2>,3|C<3>,3|H<1>,4|C<4>}	120.4010	0.000	1	120.4010	0.000	1	120.4010	0.000	1	120.4010	0.000	1	120.1617	5.768	50	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6a]	3:4:3:	3:2:4:4:	3:3:4:	C[6,6a]-3:C[3x6]-4:C[6,6a]-3:	C[6,6,6a]-3:O[6,6]-2:C[6]-4:C[6]-4:	C[6,6,6a]-3:C[6a]-3:C[6]-4:	C[6,6,6a](C[6,6a]N[5,6]C[6a])(C[3x6]O[6,6]C[6]2)(C[6,6a]C[6a]C[6])	C[3x6](C[6,6,6a]C[6,6a]2)(O[6,6]C[5,6,6])(C[6]C[6]HH)(C[6]C[6]HO)	C[6,6a](C[6,6,6a]C[6,6a]C[3x6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6,6a](C[6,6a]N[5,6]C[6a])(C[3x6]O[6,6]C[6]2)(C[6,6a]C[6a]C[6]){1|O<2>,2|C<3>,3|C<4>,7|H<1>}	C[3x6](C[6,6,6a]C[6,6a]2)(O[6,6]C[5,6,6])(C[6]C[6]HH)(C[6]C[6]HO){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6,6a]C[6,6a]C[3x6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|N<3>,1|O<2>,2|C<4>,3|H<1>}	118.9170	0.000	1	118.9170	0.000	1	118.9170	0.000	1	118.9170	0.000	1	120.1617	5.768	50	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6a]	4:3:3:	3:2:2:4:	3:3:2:	C[3x6]-4:C[6,6a]-3:C[6,6a]-3:	C[6,6,6a]-3:O[6,6]-2:O[6]-2:C[6]-4:	C[6,6,6a]-3:C[6a]-3:O[6]-2:	C[6,6,6a](C[3x6]O[6,6]C[6]O[6])(C[6,6a]C[6a]C[6])(C[6,6a]C[6a]O[6])	C[3x6](C[6,6,6a]C[6,6a]2)(O[6,6]C[3x6])(O[6]C[6,6a])(C[6]C[6]HO)	C[6,6a](C[6,6,6a]C[6,6a]C[3x6])(C[6a]C[6a]H)(O[6]C[3x6])	C[6,6,6a](C[3x6]O[6,6]C[6]O[6])(C[6,6a]C[6a]C[6])(C[6,6a]C[6a]O[6]){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[3x6](C[6,6,6a]C[6,6a]2)(O[6,6]C[3x6])(O[6]C[6,6a])(C[6]C[6]HO){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	C[6,6a](C[6,6,6a]C[6,6a]C[3x6])(C[6a]C[6a]H)(O[6]C[3x6]){1|H<1>,2|C<4>,2|O<2>,3|C<3>}	119.2290	0.000	1	118.9860	0.118	2	118.9860	0.118	2	118.9860	0.118	2	120.1617	5.768	50	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6a]	4:3:3:	3:2:2:4:	3:3:2:	C[3x6]-4:C[6,6a]-3:C[6,6a]-3:	C[6,6,6a]-3:O[6,6]-2:O[6]-2:C[6]-4:	C[6,6,6a]-3:C[6a]-3:O[6]-2:	C[6,6,6a](C[3x6]O[6,6]C[6]O[6])(C[6,6a]C[6a]C[6])(C[6,6a]C[6a]O[6])	C[3x6](C[6,6,6a]C[6,6a]2)(O[6,6]C[3x6])(O[6]C[6,6a])(C[6]C[6]HO)	C[6,6a](C[6,6,6a]C[6,6a]C[3x6])(C[6a]C[6a]H)(O[6]C[3x6])	C[6,6,6a](C[3x6]O[6,6]C[6]O[6])(C[6,6a]C[6a]C[6])(C[6,6a]C[6a]O[6]){1|O<1>,2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[3x6](C[6,6,6a]C[6,6a]2)(O[6,6]C[3x6])(O[6]C[6,6a])(C[6]C[6]HO){1|Cl<1>,1|C<4>,1|H<1>,1|O<2>,5|C<3>}	C[6,6a](C[6,6,6a]C[6,6a]C[3x6])(C[6a]C[6a]H)(O[6]C[3x6]){1|H<1>,2|C<4>,2|O<2>,3|C<3>}	118.7430	0.000	1	118.9860	0.118	2	118.9860	0.118	2	118.9860	0.118	2	120.1617	5.768	50	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6a]	4:3:3:	3:2:2:4:	3:3:3:	C[3x6]-4:C[6,6a]-3:C[6,6a]-3:	C[6,6,6a]-3:O[6,6]-2:O[6]-2:C[6]-4:	C[6,6,6a]-3:C[6a]-3:C[6]-3:	C[6,6,6a](C[3x6]O[6,6]C[6]O[6])(C[6,6a]C[6a]C[6])(C[6,6a]C[6a]O[6])	C[3x6](C[6,6,6a]C[6,6a]2)(O[6,6]C[3x6])(O[6]C[6,6a])(C[6]C[6]HO)	C[6,6a](C[6,6,6a]C[6,6a]C[3x6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6,6a](C[3x6]O[6,6]C[6]O[6])(C[6,6a]C[6a]C[6])(C[6,6a]C[6a]O[6]){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[3x6](C[6,6,6a]C[6,6a]2)(O[6,6]C[3x6])(O[6]C[6,6a])(C[6]C[6]HO){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	C[6,6a](C[6,6,6a]C[6,6a]C[3x6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|C<4>,3|H<1>,3|O<2>}	121.2700	0.000	1	121.2700	0.000	1	121.0935	0.062	2	121.0935	0.062	2	120.1617	5.768	50	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6a]	4:3:3:	3:2:2:4:	3:3:3:	C[3x6]-4:C[6,6a]-3:C[6,6a]-3:	C[6,6,6a]-3:O[6,6]-2:O[6]-2:C[6]-4:	C[6,6,6a]-3:C[6a]-3:C[6]-3:	C[6,6,6a](C[3x6]O[6,6]C[6]O[6])(C[6,6a]C[6a]C[6])(C[6,6a]C[6a]O[6])	C[3x6](C[6,6,6a]C[6,6a]2)(O[6,6]C[3x6])(O[6]C[6,6a])(C[6]C[6]HO)	C[6,6a](C[6,6,6a]C[6,6a]C[3x6])(C[6a]C[6a]O)(C[6]C[6]O)	C[6,6,6a](C[3x6]O[6,6]C[6]O[6])(C[6,6a]C[6a]C[6])(C[6,6a]C[6a]O[6]){1|O<1>,2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[3x6](C[6,6,6a]C[6,6a]2)(O[6,6]C[3x6])(O[6]C[6,6a])(C[6]C[6]HO){1|Cl<1>,1|C<4>,1|H<1>,1|O<2>,5|C<3>}	C[6,6a](C[6,6,6a]C[6,6a]C[3x6])(C[6a]C[6a]O)(C[6]C[6]O){1|Cl<1>,1|C<3>,1|C<4>,2|H<1>,3|O<2>}	120.9170	0.000	1	120.9170	0.000	1	121.0935	0.062	2	121.0935	0.062	2	120.1617	5.768	50	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6a]	4:3:3:	3:3:3:2:	3:3:2:	C[3x6]-4:C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6,6,6a]-3:O[6,6]-2:	C[6,6,6a]-3:C[6a]-3:O[6]-2:	C[6,6,6a](C[3x6]C[6,6a]2O[6,6])(C[6,6a]C[6a]O[6])2	C[3x6](C[6,6a]C[6a,6a]C[6,6a])2(C[6,6,6a]C[6,6a]2)(O[6,6]C[6,6])	C[6,6a](C[6,6,6a]C[6,6a]C[3x6])(C[6a]C[6a]H)(O[6]C[6,6])	C[6,6,6a](C[3x6]C[6,6a]2O[6,6])(C[6,6a]C[6a]O[6])2{1|C<4>,2|H<1>,5|C<3>}	C[3x6](C[6,6a]C[6a,6a]C[6,6a])2(C[6,6,6a]C[6,6a]2)(O[6,6]C[6,6]){1|C<4>,1|N<3>,2|O<2>,8|C<3>}	C[6,6a](C[6,6,6a]C[6,6a]C[3x6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<4>,1|H<1>,1|N<3>,2|O<2>,3|C<3>}	117.9700	0.000	1	117.9700	0.000	1	120.5470	13.282	2	120.5470	13.282	2	120.1617	5.768	50	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6a]	4:3:3:	3:3:3:2:	3:3:2:	C[3x6]-4:C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6,6,6a]-3:O[6,6]-2:	C[6,6,6a]-3:C[6a]-3:O[6]-2:	C[6,6,6a](C[3x6]C[6,6a]2O[6,6])(C[6,6a]C[6a]O[6])2	C[3x6](C[6,6a]C[6a,6a]C[6,6a])2(C[6,6,6a]C[6,6a]2)(O[6,6]C[6,6])	C[6,6a](C[6,6,6a]C[6,6a]C[3x6])(C[6a]C[6a]H)(O[6]C[6,6a])	C[6,6,6a](C[3x6]C[6,6a]2O[6,6])(C[6,6a]C[6a]O[6])2{1|C<4>,2|H<1>,5|C<3>}	C[3x6](C[6,6a]C[6a,6a]C[6,6a])2(C[6,6,6a]C[6,6a]2)(O[6,6]C[6,6]){1|C<4>,1|N<3>,2|O<2>,8|C<3>}	C[6,6a](C[6,6,6a]C[6,6a]C[3x6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,2|O<2>,4|C<3>}	123.1240	0.000	1	123.1240	0.000	1	120.5470	13.282	2	120.5470	13.282	2	120.1617	5.768	50	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6a]	4:3:3:	3:4:4:3:	3:3:2:	C[3x6]-4:C[6,6a]-3:C[6,6a]-3:	C[6,6,6a]-3:C[6,6]-4:C[6]-4:C[6]-3:	C[6,6,6a]-3:C[6a]-3:O[6]-2:	C[6,6,6a](C[3x6]C[6,6]C[6]2)(C[6,6a]C[6a]C[6])(C[6,6a]C[6a]O[6])	C[3x6](C[6,6,6a]C[6,6a]2)(C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)	C[6,6a](C[6,6,6a]C[6,6a]C[3x6])(C[6a]C[6a]O)(O[6]C[6])	C[6,6,6a](C[3x6]C[6,6]C[6]2)(C[6,6a]C[6a]C[6])(C[6,6a]C[6a]O[6]){1|O<2>,2|C<3>,3|C<4>,7|H<1>}	C[3x6](C[6,6,6a]C[6,6a]2)(C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,1|N<3>,2|O<2>,3|C<3>,5|H<1>}	C[6,6a](C[6,6,6a]C[6,6a]C[3x6])(C[6a]C[6a]O)(O[6]C[6]){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	116.3690	0.000	1	118.4300	8.064	4	118.4300	8.064	4	118.4300	8.064	4	120.1617	5.768	50	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6a]	4:3:3:	3:4:4:3:	3:3:2:	C[3x6]-4:C[6,6a]-3:C[6,6a]-3:	C[6,6,6a]-3:C[6,6]-4:C[6]-4:C[6]-3:	C[6,6,6a]-3:C[6a]-3:O[6]-2:	C[6,6,6a](C[3x6]C[6,6]C[6]2)(C[6,6a]C[6a]C[6])(C[6,6a]C[6a]O[6])	C[3x6](C[6,6,6a]C[6,6a]2)(C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)	C[6,6a](C[6,6,6a]C[6,6a]C[3x6])(C[6a]C[6a]O)(O[6]C[6])	C[6,6,6a](C[3x6]C[6,6]C[6]2)(C[6,6a]C[6a]C[6])(C[6,6a]C[6a]O[6]){1|O<2>,2|C<3>,3|C<4>,7|H<1>}	C[3x6](C[6,6,6a]C[6,6a]2)(C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,1|N<3>,3|C<3>,3|O<2>,4|H<1>}	C[6,6a](C[6,6,6a]C[6,6a]C[3x6])(C[6a]C[6a]O)(O[6]C[6]){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	115.9100	0.000	1	118.4300	8.064	4	118.4300	8.064	4	118.4300	8.064	4	120.1617	5.768	50	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6a]	4:3:3:	3:4:4:3:	3:3:2:	C[3x6]-4:C[6,6a]-3:C[6,6a]-3:	C[6,6,6a]-3:C[6,6]-4:C[6]-4:C[6]-3:	C[6,6,6a]-3:C[6a]-3:O[6]-2:	C[6,6,6a](C[3x6]C[6,6]C[6]2)(C[6,6a]C[6a]C[6])(C[6,6a]C[6a]O[6])	C[3x6](C[6,6,6a]C[6,6a]2)(C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)	C[6,6a](C[6,6,6a]C[6,6a]C[3x6])(C[6a]C[6a]O)(O[6]C[6])	C[6,6,6a](C[3x6]C[6,6]C[6]2)(C[6,6a]C[6a]C[6])(C[6,6a]C[6a]O[6]){1|O<2>,2|C<3>,3|C<4>,7|H<1>}	C[3x6](C[6,6,6a]C[6,6a]2)(C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,1|N<4>,3|C<3>,3|O<2>,4|H<1>}	C[6,6a](C[6,6,6a]C[6,6a]C[3x6])(C[6a]C[6a]O)(O[6]C[6]){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	121.9660	0.000	1	118.4300	8.064	4	118.4300	8.064	4	118.4300	8.064	4	120.1617	5.768	50	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6a]	4:3:3:	3:4:4:3:	3:3:2:	C[3x6]-4:C[6,6a]-3:C[6,6a]-3:	C[6,6,6a]-3:C[6,6]-4:C[6]-4:C[6]-3:	C[6,6,6a]-3:C[6a]-3:O[6]-2:	C[6,6,6a](C[3x6]C[6,6]C[6]2)(C[6,6a]C[6a]C[6])(C[6,6a]C[6a]O[6])	C[3x6](C[6,6,6a]C[6,6a]2)(C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)	C[6,6a](C[6,6,6a]C[6,6a]C[3x6])(C[6a]C[6a]O)(O[6]C[6])	C[6,6,6a](C[3x6]C[6,6]C[6]2)(C[6,6a]C[6a]C[6])(C[6,6a]C[6a]O[6]){1|O<2>,2|C<4>,3|C<3>,6|H<1>}	C[3x6](C[6,6,6a]C[6,6a]2)(C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H){1|N<3>,2|O<2>,4|C<3>,4|H<1>}	C[6,6a](C[6,6,6a]C[6,6a]C[3x6])(C[6a]C[6a]O)(O[6]C[6]){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	119.4750	0.000	1	118.4300	8.064	4	118.4300	8.064	4	118.4300	8.064	4	120.1617	5.768	50	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6a]	4:3:3:	3:4:4:3:	3:3:3:	C[3x6]-4:C[6,6a]-3:C[6,6a]-3:	C[6,6,6a]-3:C[6,6]-4:C[6]-4:C[6]-3:	C[6,6,6a]-3:C[6a]-3:C[6]-3:	C[6,6,6a](C[3x6]C[6,6]C[6]2)(C[6,6a]C[6a]C[6])(C[6,6a]C[6a]O[6])	C[3x6](C[6,6,6a]C[6,6a]2)(C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)	C[6,6a](C[6,6,6a]C[6,6a]C[3x6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6,6a](C[3x6]C[6,6]C[6]2)(C[6,6a]C[6a]C[6])(C[6,6a]C[6a]O[6]){1|O<2>,2|C<4>,3|C<3>,6|H<1>}	C[3x6](C[6,6,6a]C[6,6a]2)(C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H){1|N<3>,2|O<2>,4|C<3>,4|H<1>}	C[6,6a](C[6,6,6a]C[6,6a]C[3x6])(C[6a]C[6a]H)(C[6]C[6]H){1|H<1>,1|N<3>,1|O<2>,2|C<3>,2|C<4>}	120.9120	0.000	1	120.9120	0.000	1	120.9120	0.000	1	120.9120	0.000	1	120.1617	5.768	50	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6a]	4:3:3:	3:4:4:3:	3:3:4:	C[3x6]-4:C[6,6a]-3:C[6,6a]-3:	C[6,6,6a]-3:C[6,6]-4:C[6]-4:C[6]-3:	C[6,6,6a]-3:C[6a]-3:C[6]-4:	C[6,6,6a](C[3x6]C[6,6]C[6]2)(C[6,6a]C[6a]C[6])(C[6,6a]C[6a]O[6])	C[3x6](C[6,6,6a]C[6,6a]2)(C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)	C[6,6a](C[6,6,6a]C[6,6a]C[3x6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6,6a](C[3x6]C[6,6]C[6]2)(C[6,6a]C[6a]C[6])(C[6,6a]C[6a]O[6]){1|O<2>,2|C<3>,3|C<4>,7|H<1>}	C[3x6](C[6,6,6a]C[6,6a]2)(C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,1|N<3>,2|O<2>,3|C<3>,5|H<1>}	C[6,6a](C[6,6,6a]C[6,6a]C[3x6])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	124.0310	0.000	1	122.4023	9.183	3	122.4023	9.183	3	122.4023	9.183	3	120.1617	5.768	50	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6a]	4:3:3:	3:4:4:3:	3:3:4:	C[3x6]-4:C[6,6a]-3:C[6,6a]-3:	C[6,6,6a]-3:C[6,6]-4:C[6]-4:C[6]-3:	C[6,6,6a]-3:C[6a]-3:C[6]-4:	C[6,6,6a](C[3x6]C[6,6]C[6]2)(C[6,6a]C[6a]C[6])(C[6,6a]C[6a]O[6])	C[3x6](C[6,6,6a]C[6,6a]2)(C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)	C[6,6a](C[6,6,6a]C[6,6a]C[3x6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6,6a](C[3x6]C[6,6]C[6]2)(C[6,6a]C[6a]C[6])(C[6,6a]C[6a]O[6]){1|O<2>,2|C<3>,3|C<4>,7|H<1>}	C[3x6](C[6,6,6a]C[6,6a]2)(C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,1|N<3>,3|C<3>,3|O<2>,4|H<1>}	C[6,6a](C[6,6,6a]C[6,6a]C[3x6])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	124.2700	0.000	1	122.4023	9.183	3	122.4023	9.183	3	122.4023	9.183	3	120.1617	5.768	50	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6a]	4:3:3:	3:4:4:3:	3:3:4:	C[3x6]-4:C[6,6a]-3:C[6,6a]-3:	C[6,6,6a]-3:C[6,6]-4:C[6]-4:C[6]-3:	C[6,6,6a]-3:C[6a]-3:C[6]-4:	C[6,6,6a](C[3x6]C[6,6]C[6]2)(C[6,6a]C[6a]C[6])(C[6,6a]C[6a]O[6])	C[3x6](C[6,6,6a]C[6,6a]2)(C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)	C[6,6a](C[6,6,6a]C[6,6a]C[3x6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6,6a](C[3x6]C[6,6]C[6]2)(C[6,6a]C[6a]C[6])(C[6,6a]C[6a]O[6]){1|O<2>,2|C<3>,3|C<4>,7|H<1>}	C[3x6](C[6,6,6a]C[6,6a]2)(C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,1|N<4>,3|C<3>,3|O<2>,4|H<1>}	C[6,6a](C[6,6,6a]C[6,6a]C[3x6])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<4>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	118.9060	0.000	1	122.4023	9.183	3	122.4023	9.183	3	122.4023	9.183	3	120.1617	5.768	50	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6a]	4:3:3:	3:4:4:4:	3:3:3:	C[3x6]-4:C[6,6a]-3:C[6,6a]-3:	C[6,6,6a]-3:C[6,6]-4:C[6]-4:C[6]-4:	C[6,6,6a]-3:C[6]-3:C[6a]-3:	C[6,6,6a](C[3x6]C[6,6]C[6]2)(C[6,6a]C[6a]C[6])2	C[3x6](C[6,6,6a]C[6,6a]2)(C[6,6]C[6,6]HH)(C[6]C[6]HH)2	C[6,6a](C[6,6,6a]C[6,6a]C[3x6])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6,6,6a](C[3x6]C[6,6]C[6]2)(C[6,6a]C[6a]C[6])2{1|C<3>,1|O<1>,4|C<4>,9|H<1>}	C[3x6](C[6,6,6a]C[6,6a]2)(C[6,6]C[6,6]HH)(C[6]C[6]HH)2{1|C<4>,4|C<3>,5|H<1>}	C[6,6a](C[6,6,6a]C[6,6a]C[3x6])(C[6]C[6,6]O)(C[6a]C[6a]H){2|C<3>,2|H<1>,4|C<4>}	119.8130	0.000	1	119.8130	0.000	1	119.8130	0.000	1	119.8130	0.000	1	120.1617	5.768	50	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6a]	4:3:3:	3:4:4:4:	3:3:4:	C[3x6]-4:C[6,6a]-3:C[6,6a]-3:	C[6,6,6a]-3:C[6,6]-4:C[6]-4:C[6]-4:	C[6,6,6a]-3:C[6a]-3:C[6]-4:	C[6,6,6a](C[3x6]C[6,6]C[6]2)(C[6,6a]C[6a]C[6])2	C[3x6](C[6,6,6a]C[6,6a]2)(C[6,6]C[6,6]HH)(C[6]C[6]HH)2	C[6,6a](C[6,6,6a]C[6,6a]C[3x6])(C[6a]C[6a]C)(C[6]C[6]HH)	C[6,6,6a](C[3x6]C[6,6]C[6]2)(C[6,6a]C[6a]C[6])2{1|C<3>,1|O<1>,4|C<4>,9|H<1>}	C[3x6](C[6,6,6a]C[6,6a]2)(C[6,6]C[6,6]HH)(C[6]C[6]HH)2{1|C<4>,4|C<3>,5|H<1>}	C[6,6a](C[6,6,6a]C[6,6a]C[3x6])(C[6a]C[6a]C)(C[6]C[6]HH){2|C<3>,3|C<4>,3|H<1>}	121.2000	0.000	1	121.2000	0.000	1	121.2000	0.000	1	121.2000	0.000	1	120.1617	5.768	50	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6a]	4:3:3:	4:3:3:4:	3:3:3:	C[3x6]-4:C[6,6a]-3:C[6,6a]-3:	C[3x6]-4:C[5a,6]-3:C[6,6,6a]-3:C[6]-4:	C[6,6,6a]-3:C[5a,6]-3:C[6a]-3:	C[6,6,6a](C[3x6]C[5a,6]C[3x6]C[6])(C[6,6a]C[5a,6]C[6a])(C[6,6a]C[6a]C[6])	C[3x6](C[3x6]C[6,6,6a]C[5a,6]C[6])(C[5a,6]C[5a,6]C[5a])(C[6,6,6a]C[6,6a]2)(C[6]C[6]HH)	C[6,6a](C[6,6,6a]C[6,6a]C[3x6])(C[5a,6]C[5a,6]S[5a])(C[6a]C[6a]O)	C[6,6,6a](C[3x6]C[5a,6]C[3x6]C[6])(C[6,6a]C[5a,6]C[6a])(C[6,6a]C[6a]C[6]){1|O<2>,1|S<2>,2|C<4>,5|C<3>,5|H<1>}	C[3x6](C[3x6]C[6,6,6a]C[5a,6]C[6])(C[5a,6]C[5a,6]C[5a])(C[6,6,6a]C[6,6a]2)(C[6]C[6]HH){1|S<2>,2|C<4>,5|H<1>,7|C<3>}	C[6,6a](C[6,6,6a]C[6,6a]C[3x6])(C[5a,6]C[5a,6]S[5a])(C[6a]C[6a]O){1|H<1>,3|C<4>,4|C<3>}	118.5355	0.023	2	118.5355	0.001	2	118.5355	0.001	2	118.0844	0.188	11	120.1617	5.768	50	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6a]	4:3:3:	4:3:3:4:	3:3:3:	C[3x6]-4:C[6,6a]-3:C[6,6a]-3:	C[3x6]-4:C[6,6a]-3:C[6,6,6a]-3:C[6]-4:	C[6,6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6,6a](C[3x6]C[6,6a]C[3x6]C[6])(C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])	C[3x6](C[3x6]C[6,6,6a]C[6,6a]C[6])(C[6,6a]C[6,6a]C[6a])(C[6,6,6a]C[6,6a]2)(C[6]C[6]HH)	C[6,6a](C[6,6,6a]C[6,6a]C[3x6])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]O)	C[6,6,6a](C[3x6]C[6,6a]C[3x6]C[6])(C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6]){1|O<2>,2|C<4>,5|H<1>,6|C<3>}	C[3x6](C[3x6]C[6,6,6a]C[6,6a]C[6])(C[6,6a]C[6,6a]C[6a])(C[6,6,6a]C[6,6a]2)(C[6]C[6]HH){2|C<4>,5|H<1>,8|C<3>}	C[6,6a](C[6,6,6a]C[6,6a]C[3x6])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]O){2|H<1>,3|C<4>,4|C<3>}	117.9841	0.415	9	117.9841	0.172	9	117.9841	0.172	9	118.0844	0.188	11	120.1617	5.768	50	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6a]	4:3:3:	4:3:3:4:	3:3:4:	C[3x6]-4:C[6,6a]-3:C[6,6a]-3:	C[3x6]-4:C[5a,6]-3:C[6,6,6a]-3:C[6]-4:	C[6,6,6a]-3:C[6a]-3:C[6]-4:	C[6,6,6a](C[3x6]C[5a,6]C[3x6]C[6])(C[6,6a]C[5a,6]C[6a])(C[6,6a]C[6a]C[6])	C[3x6](C[3x6]C[6,6,6a]C[5a,6]C[6])(C[5a,6]C[5a,6]C[5a])(C[6,6,6a]C[6,6a]2)(C[6]C[6]HH)	C[6,6a](C[6,6,6a]C[6,6a]C[3x6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6,6a](C[3x6]C[5a,6]C[3x6]C[6])(C[6,6a]C[5a,6]C[6a])(C[6,6a]C[6a]C[6]){1|O<2>,1|S<2>,2|C<4>,5|C<3>,5|H<1>}	C[3x6](C[3x6]C[6,6,6a]C[5a,6]C[6])(C[5a,6]C[5a,6]C[5a])(C[6,6,6a]C[6,6a]2)(C[6]C[6]HH){1|S<2>,2|C<4>,5|H<1>,7|C<3>}	C[6,6a](C[6,6,6a]C[6,6a]C[3x6])(C[6a]C[6a]H)(C[6]C[6]HH){2|C<4>,3|C<3>,3|H<1>}	121.4110	0.322	2	121.4110	0.104	2	121.4110	0.104	2	121.2561	0.170	10	120.1617	5.768	50	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[3x6]	C[6,6a]	4:3:3:	4:3:3:4:	3:3:4:	C[3x6]-4:C[6,6a]-3:C[6,6a]-3:	C[3x6]-4:C[6,6a]-3:C[6,6,6a]-3:C[6]-4:	C[6,6,6a]-3:C[6a]-3:C[6]-4:	C[6,6,6a](C[3x6]C[6,6a]C[3x6]C[6])(C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])	C[3x6](C[3x6]C[6,6,6a]C[6,6a]C[6])(C[6,6a]C[6,6a]C[6a])(C[6,6,6a]C[6,6a]2)(C[6]C[6]HH)	C[6,6a](C[6,6,6a]C[6,6a]C[3x6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6,6a](C[3x6]C[6,6a]C[3x6]C[6])(C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6]){1|O<2>,2|C<4>,5|H<1>,6|C<3>}	C[3x6](C[3x6]C[6,6,6a]C[6,6a]C[6])(C[6,6a]C[6,6a]C[6a])(C[6,6,6a]C[6,6a]2)(C[6]C[6]HH){2|C<4>,5|H<1>,8|C<3>}	C[6,6a](C[6,6,6a]C[6,6a]C[3x6])(C[6a]C[6a]H)(C[6]C[6]HH){2|C<4>,3|C<3>,3|H<1>}	121.2174	0.442	8	121.2174	0.195	8	121.2174	0.195	8	121.2561	0.170	10	120.1617	5.768	50	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[4x6]	C[6,6,6a]	3:4:3:	3:4:4:1:	3:4:3:	C[6,6,6a]-3:C[4x6]-4:C[6a]-3:	C[6,6,6a]-3:C[3x6]-4:C[3x6]-4:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[4x6]C[3x6]2H)(C[6a]C[6a]H)	C[4x6](C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]C[6,6]C[6]C)(C[3x6]N[6,6]C[6]C)(H)	C[6,6,6a](C[6,6,6a]C[4x6]C[6a])(C[3x6]C[6,6]N[6,6]H)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[4x6]C[3x6]2H)(C[6a]C[6a]H){1|C<3>,1|N<3>,3|H<1>,5|C<4>}	C[4x6](C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]C[6,6]C[6]C)(C[3x6]N[6,6]C[6]C)(H){1|C<4>,4|C<3>,7|H<1>}	C[6,6,6a](C[6,6,6a]C[4x6]C[6a])(C[3x6]C[6,6]N[6,6]H)(C[6a]C[6a]H){2|C<3>,2|C<4>,5|H<1>}	112.4850	0.000	1	112.4850	0.000	1	112.6180	0.022	3	112.6180	0.022	3	112.8865	0.784	23	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[4x6]	C[6,6,6a]	3:4:3:	3:4:4:1:	3:4:3:	C[6,6,6a]-3:C[4x6]-4:C[6a]-3:	C[6,6,6a]-3:C[3x6]-4:C[3x6]-4:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[4x6]C[3x6]2H)(C[6a]C[6a]H)	C[4x6](C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]C[6,6a]C[6,6]C)(C[3x6]N[6,6]O[6]H)(H)	C[6,6,6a](C[6,6,6a]C[4x6]C[6a])(C[3x6]C[6,6]N[6,6]C)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[4x6]C[3x6]2H)(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[4x6](C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]C[6,6a]C[6,6]C)(C[3x6]N[6,6]O[6]H)(H){2|C<4>,3|H<1>,4|C<3>}	C[6,6,6a](C[6,6,6a]C[4x6]C[6a])(C[3x6]C[6,6]N[6,6]C)(C[6a]C[6a]H){1|C<3>,3|C<4>,5|H<1>}	112.7780	0.000	1	112.7780	0.000	1	112.6180	0.022	3	112.6180	0.022	3	112.8865	0.784	23	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[4x6]	C[6,6,6a]	3:4:3:	3:4:4:1:	3:4:3:	C[6,6,6a]-3:C[4x6]-4:C[6a]-3:	C[6,6,6a]-3:C[3x6]-4:C[3x6]-4:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[4x6]C[3x6]2H)(C[6a]C[6a]H)	C[4x6](C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]C[6,6a]C[6,6]C)(C[3x6]N[6,6]O[6]H)(H)	C[6,6,6a](C[6,6,6a]C[4x6]C[6a])(C[3x6]C[6,6]N[6,6]H)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[4x6]C[3x6]2H)(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[4x6](C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]C[6,6a]C[6,6]C)(C[3x6]N[6,6]O[6]H)(H){2|C<4>,3|H<1>,4|C<3>}	C[6,6,6a](C[6,6,6a]C[4x6]C[6a])(C[3x6]C[6,6]N[6,6]H)(C[6a]C[6a]H){1|C<3>,3|C<4>,5|H<1>}	112.5910	0.000	1	112.5910	0.000	1	112.6180	0.022	3	112.6180	0.022	3	112.8865	0.784	23	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[4x6]	C[6,6,6a]	3:4:3:	3:4:4:2:	3:4:3:	C[6,6,6a]-3:C[4x6]-4:C[6a]-3:	C[6,6,6a]-3:C[4x6]-4:C[3x6]-4:O-2:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[4x6]C[3x6]C[4x6]O)(C[6a]C[6a]H)	C[4x6](C[6,6,6a]C[6,6,6a]C[6a])(C[4x6]C[3x6]O[6,6]C)(C[3x6]O[6,6]C[6]O)(OC)	C[6,6,6a](C[6,6,6a]C[4x6]C[6a])(C[3x6]C[3x6]O[6,6]H)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[4x6]C[3x6]C[4x6]O)(C[6a]C[6a]H){1|C<3>,3|C<4>,3|H<1>,3|O<2>}	C[4x6](C[6,6,6a]C[6,6,6a]C[6a])(C[4x6]C[3x6]O[6,6]C)(C[3x6]O[6,6]C[6]O)(OC){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6,6,6a](C[6,6,6a]C[4x6]C[6a])(C[3x6]C[3x6]O[6,6]H)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	110.9295	0.039	2	110.9295	0.002	2	110.9295	0.002	2	110.9295	0.002	2	112.8865	0.784	23	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[4x6]	C[6,6,6a]	4:3:3:	3:3:3:2:	4:3:3:	C[4x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:O[6]-2:	C[4x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a](C[4x6]C[3x6,6a]C[6,6,6a]O[6])(C[6,6,6a]C[4x6]C[6a])(C[6a]C[6a]H)	C[4x6](C[3x6,6a]C[3x6,6a]C[6,6a])(C[6,6,6a]C[6,6,6a]C[6a])2(O[6]C[5a,6])	C[6,6,6a](C[4x6]C[3x6,6a]C[6,6,6a]O[6])(C[6,6,6a]C[4x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[4x6]C[3x6,6a]C[6,6,6a]O[6])(C[6,6,6a]C[4x6]C[6a])(C[6a]C[6a]H){1|O<2>,2|H<1>,6|C<3>}	C[4x6](C[3x6,6a]C[3x6,6a]C[6,6a])(C[6,6,6a]C[6,6,6a]C[6a])2(O[6]C[5a,6]){1|C<4>,2|H<1>,8|C<3>}	C[6,6,6a](C[4x6]C[3x6,6a]C[6,6,6a]O[6])(C[6,6,6a]C[4x6]C[6a])(C[6a]C[6a]H){1|O<2>,2|H<1>,6|C<3>}	113.0955	0.136	4	113.0955	0.018	4	113.0350	0.016	8	113.0350	0.016	8	112.8865	0.784	23	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[4x6]	C[6,6,6a]	4:3:3:	3:3:3:2:	4:3:3:	C[4x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:O[6]-2:	C[4x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a](C[4x6]C[3x6,6a]C[6,6,6a]O[6])(C[6,6,6a]C[4x6]C[6a])(C[6a]C[6a]H)	C[4x6](C[3x6,6a]C[3x6,6a]C[6,6a])(C[6,6,6a]C[6,6,6a]C[6a])2(O[6]C[6,6a])	C[6,6,6a](C[4x6]C[3x6,6a]C[6,6,6a]O[6])(C[6,6,6a]C[4x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[4x6]C[3x6,6a]C[6,6,6a]O[6])(C[6,6,6a]C[4x6]C[6a])(C[6a]C[6a]H){1|O<2>,2|H<1>,6|C<3>}	C[4x6](C[3x6,6a]C[3x6,6a]C[6,6a])(C[6,6,6a]C[6,6,6a]C[6a])2(O[6]C[6,6a]){1|C<4>,2|H<1>,8|C<3>}	C[6,6,6a](C[4x6]C[3x6,6a]C[6,6,6a]O[6])(C[6,6,6a]C[4x6]C[6a])(C[6a]C[6a]H){1|O<2>,2|H<1>,6|C<3>}	112.9745	0.098	4	112.9745	0.010	4	113.0350	0.016	8	113.0350	0.016	8	112.8865	0.784	23	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[4x6]	C[6,6,6a]	4:3:3:	3:3:3:3:	3:4:3:	C[4x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6a]-3:C[4x6]-3:C[6,6]-3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a](C[4x6]C[6,6a]C[4x6]C[6,6])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[4x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[4x6]C[3x6]C[6,6])(C[6,6]C[6,6]H)	C[6,6,6a](C[6,6,6a]C[4x6]C[6a])(C[3x6]C[3x6]C[6,6]H)(C[6a]C[6a]H)	C[6,6,6a](C[4x6]C[6,6a]C[4x6]C[6,6])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){4|H<1>,6|C<3>}	C[4x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[4x6]C[3x6]C[6,6])(C[6,6]C[6,6]H){1|C<4>,1|N<2>,3|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[4x6]C[6a])(C[3x6]C[3x6]C[6,6]H)(C[6a]C[6a]H){3|H<1>,5|C<3>}	112.5870	0.240	2	112.5870	0.058	2	112.5870	0.058	2	112.5870	0.058	2	112.8865	0.784	23	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[4x6]	C[6,6,6a]	4:3:3:	3:3:3:3:	4:3:3:	C[4x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6]-3:C[6,6a]-3:C[5x6]-3:	C[5,3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a](C[4x6]C[6,6a]C[5x6]C[6,6])(C[6,6,6a]C[5,3x6]C[6a])(C[6a]C[6a]H)	C[4x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[5,6,6]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5x6]C[3x6]C[5x6])	C[6,6,6a](C[5,3x6]C[5,6,6]C[5,6a]C[5x6])(C[6,6,6a]C[4x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[4x6]C[6,6a]C[5x6]C[6,6])(C[6,6,6a]C[5,3x6]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,7|C<3>}	C[4x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[5,6,6]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5x6]C[3x6]C[5x6]){2|Si<4>,2|C<4>,2|H<1>,8|C<3>}	C[6,6,6a](C[5,3x6]C[5,6,6]C[5,6a]C[5x6])(C[6,6,6a]C[4x6]C[6a])(C[6a]C[6a]H){1|Si<4>,2|H<1>,8|C<3>}	115.0770	0.000	1	115.0770	0.000	1	115.0770	0.000	1	115.0770	0.000	1	112.8865	0.784	23	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[4x6]	C[6,6,6a]	4:3:3:	3:3:3:4:	3:4:3:	C[4x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[3x6]-3:C[6,6]-3:C[6]-4:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a](C[4x6]C[3x6]C[6,6]C[6])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[4x6](C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]C[6,6]2)(C[6,6]C[6,6]O)(C[6]C[6]HH)	C[6,6,6a](C[6,6,6a]C[4x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]H)	C[6,6,6a](C[4x6]C[3x6]C[6,6]C[6])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|O<1>,2|C<4>,3|C<3>,5|H<1>}	C[4x6](C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]C[6,6]2)(C[6,6]C[6,6]O)(C[6]C[6]HH){1|O<1>,2|C<3>,4|C<4>,4|H<1>}	C[6,6,6a](C[6,6,6a]C[4x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	114.6940	0.000	1	114.6940	0.000	1	114.6940	0.000	1	114.6940	0.000	1	112.8865	0.784	23	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[4x6]	C[6,6,6a]	4:3:3:	3:4:4:4:	3:4:3:	C[4x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[3x6]-4:C[6,6]-4:C[6]-4:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a](C[4x6]C[3x6]C[6,6]C[6])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[4x6](C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]C[6,6]C[6]H)(C[6,6]O[6,6]HH)(C[6]C[6]HH)	C[6,6,6a](C[6,6,6a]C[4x6]C[6a])(C[3x6]C[6,6]O[6,6]H)(C[6a]C[6a]H)	C[6,6,6a](C[4x6]C[3x6]C[6,6]C[6])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<3>,2|O<2>,3|C<4>,7|H<1>}	C[4x6](C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]C[6,6]C[6]H)(C[6,6]O[6,6]HH)(C[6]C[6]HH){2|C<3>,4|C<4>,5|H<1>}	C[6,6,6a](C[6,6,6a]C[4x6]C[6a])(C[3x6]C[6,6]O[6,6]H)(C[6a]C[6a]H){1|C<3>,3|H<1>,4|C<4>}	113.2470	0.000	1	113.2470	0.000	1	113.0800	0.056	2	113.0800	0.056	2	112.8865	0.784	23	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[4x6]	C[6,6,6a]	4:3:3:	3:4:4:4:	3:4:3:	C[4x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[3x6]-4:C[6,6]-4:C[6]-4:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6,6a](C[4x6]C[3x6]C[6,6]C[6])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]O)	C[4x6](C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]C[6,6]C[6]H)(C[6,6]O[6,6]HH)(C[6]C[6]HH)	C[6,6,6a](C[6,6,6a]C[4x6]C[6a])(C[3x6]C[6,6]O[6,6]H)(C[6a]C[6a]H)	C[6,6,6a](C[4x6]C[3x6]C[6,6]C[6])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]O){1|C<3>,2|O<2>,3|C<4>,7|H<1>}	C[4x6](C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]C[6,6]C[6]H)(C[6,6]O[6,6]HH)(C[6]C[6]HH){2|C<3>,2|O<2>,3|H<1>,4|C<4>}	C[6,6,6a](C[6,6,6a]C[4x6]C[6a])(C[3x6]C[6,6]O[6,6]H)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	112.9130	0.000	1	112.9130	0.000	1	113.0800	0.056	2	113.0800	0.056	2	112.8865	0.784	23	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[4x6]	C[6,6,6a]	4:3:3:	4:3:4:1:	4:3:3:	C[4x6]-4:C[6,6,6a]-3:C[6a]-3:	C[5,4x6]-4:C[6,6,6a]-3:C[3x6]-4:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a](C[4x6]C[5,4x6]C[3x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[5,6a]H)	C[4x6](C[5,4x6]C[5,3x6]O[5,6]C[6])(C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]O[6,6]O[6]H)(H)	C[6,6,6a](C[3x6]C[5,3x6]O[6,6]H)(C[6,6,6a]C[4x6]C[6a])(C[6a]C[5,6a]H)	C[6,6,6a](C[4x6]C[5,4x6]C[3x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[5,6a]H){1|C<3>,2|C<4>,3|H<1>,4|O<2>}	C[4x6](C[5,4x6]C[5,3x6]O[5,6]C[6])(C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]O[6,6]O[6]H)(H){2|C<3>,3|H<1>,5|C<4>}	C[6,6,6a](C[3x6]C[5,3x6]O[6,6]H)(C[6,6,6a]C[4x6]C[6a])(C[6a]C[5,6a]H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	112.4470	0.000	1	112.4470	0.000	1	112.8227	0.192	4	112.8227	0.192	4	112.8865	0.784	23	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[4x6]	C[6,6,6a]	4:3:3:	4:3:4:1:	4:3:3:	C[4x6]-4:C[6,6,6a]-3:C[6a]-3:	C[5,4x6]-4:C[6,6,6a]-3:C[3x6]-4:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a](C[4x6]C[5,4x6]C[3x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[4x6](C[5,4x6]C[5,3x6]O[5,6]C[6])(C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]O[6,6]O[6]H)(H)	C[6,6,6a](C[3x6]C[5,3x6]O[6,6]H)(C[6,6,6a]C[4x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[4x6]C[5,4x6]C[3x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<3>,2|C<4>,3|O<2>,4|H<1>}	C[4x6](C[5,4x6]C[5,3x6]O[5,6]C[6])(C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]O[6,6]O[6]H)(H){2|C<3>,3|H<1>,5|C<4>}	C[6,6,6a](C[3x6]C[5,3x6]O[6,6]H)(C[6,6,6a]C[4x6]C[6a])(C[6a]C[6a]H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	112.4390	0.000	1	112.4390	0.000	1	112.8227	0.192	4	112.8227	0.192	4	112.8865	0.784	23	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[4x6]	C[6,6,6a]	4:3:3:	4:3:4:1:	4:3:3:	C[4x6]-4:C[6,6,6a]-3:C[6a]-3:	C[5,4x6]-4:C[6,6,6a]-3:C[3x6]-4:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a](C[4x6]C[5,4x6]C[3x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]O)	C[4x6](C[5,4x6]C[5,3x6]O[5,6]C[6])(C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]O[6,6]O[6]H)(H)	C[6,6,6a](C[3x6]C[5,3x6]O[6,6]H)(C[6,6,6a]C[4x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[4x6]C[5,4x6]C[3x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]O){1|C<3>,2|C<4>,3|O<2>,4|H<1>}	C[4x6](C[5,4x6]C[5,3x6]O[5,6]C[6])(C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]O[6,6]O[6]H)(H){1|O<2>,2|C<3>,2|H<1>,5|C<4>}	C[6,6,6a](C[3x6]C[5,3x6]O[6,6]H)(C[6,6,6a]C[4x6]C[6a])(C[6a]C[6a]H){1|C<3>,1|H<1>,2|O<2>,4|C<4>}	113.2025	0.021	2	113.2025	0.000	2	112.8227	0.192	4	112.8227	0.192	4	112.8865	0.784	23	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[5x6]	C[6,6,6a]	4:3:3:	3:3:4:4:	4:3:3:	C[5x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6,6a]-3:C[5x6]-4:C[6,6]-4:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a](C[5x6]C[6,6,6a]C[5x6]C[6,6])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[5x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5x6]C[6,6,6a]2C[6,6])(C[6,6]C[3x6]HH)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]C)(C[6,6,6a]C[5x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[5x6]C[6,6,6a]C[5x6]C[6,6])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){3|C<4>,4|H<1>,5|C<3>}	C[5x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5x6]C[6,6,6a]2C[6,6])(C[6,6]C[3x6]HH){2|C<4>,4|H<1>,8|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]C)(C[6,6,6a]C[5x6]C[6a])(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	114.0320	0.018	2	114.0320	0.000	2	114.0320	0.000	2	114.0320	0.000	2	113.5355	0.417	4	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[5x6]	C[6,6,6a]	4:3:3:	4:3:3:3:	4:3:3:	C[5x6]-4:C[6,6,6a]-3:C[6a]-3:	C[5,3x6]-4:C[6,6,6a]-3:C[6,6,6a]-3:C[5x6]-3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a](C[5x6]C[6,6,6a]C[5,3x6]C[5x6])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[5x6](C[5,3x6]C[6,6,6a]C[5,6,6]C[5,6a])(C[6,6,6a]C[6,6,6a]C[6a])2(C[5x6]C[3x6]C[4x6])	C[6,6,6a](C[3x6]C[6,6,6a]C[3x6]H)(C[6,6,6a]C[5x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[5x6]C[6,6,6a]C[5,3x6]C[5x6])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,7|C<3>}	C[5x6](C[5,3x6]C[6,6,6a]C[5,6,6]C[5,6a])(C[6,6,6a]C[6,6,6a]C[6a])2(C[5x6]C[3x6]C[4x6]){10|C<3>,2|Si<4>,1|C<4>,2|H<1>}	C[6,6,6a](C[3x6]C[6,6,6a]C[3x6]H)(C[6,6,6a]C[5x6]C[6a])(C[6a]C[6a]H){1|Si<4>,1|C<4>,2|H<1>,4|C<3>}	113.4020	0.000	1	113.0390	0.264	2	113.0390	0.264	2	113.0390	0.264	2	113.5355	0.417	4	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[5x6]	C[6,6,6a]	4:3:3:	4:3:3:3:	4:3:3:	C[5x6]-4:C[6,6,6a]-3:C[6a]-3:	C[5,3x6]-4:C[6,6,6a]-3:C[6,6,6a]-3:C[5x6]-3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[6,6,6a](C[5x6]C[6,6,6a]C[5,3x6]C[5x6])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[5x6](C[5,3x6]C[6,6,6a]C[5,6,6]C[5,6a])(C[6,6,6a]C[6,6,6a]C[6a])2(C[5x6]C[3x6]C[4x6])	C[6,6,6a](C[3x6]C[6,6,6a]C[3x6]H)(C[6,6,6a]C[5x6]C[6a])(C[6a]C[6a]H)	C[6,6,6a](C[5x6]C[6,6,6a]C[5,3x6]C[5x6])(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,3|H<1>,7|C<3>}	C[5x6](C[5,3x6]C[6,6,6a]C[5,6,6]C[5,6a])(C[6,6,6a]C[6,6,6a]C[6a])2(C[5x6]C[3x6]C[4x6]){10|C<3>,2|Si<4>,1|C<4>,2|H<1>}	C[6,6,6a](C[3x6]C[6,6,6a]C[3x6]H)(C[6,6,6a]C[5x6]C[6a])(C[6a]C[6a]H){1|Si<4>,1|C<4>,2|H<1>,4|C<3>}	112.6760	0.000	1	113.0390	0.264	2	113.0390	0.264	2	113.0390	0.264	2	113.5355	0.417	4	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[6,6]	C[6,6,6a]	3:3:4:	3:2:3:2:	3:3:3:	C[6,6,6a]-3:C[6,6a]-3:C[6,6]-4:	C[6,6,6a]-3:O[6]-2:C[6]-3:O-2:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6a]-3:	C[6,6,6a](C[6,6,6a]C[6,6,6a]C[6,6a])(C[6,6a]C[6a]C[6])(C[6,6]C[6]O[6]O)	C[6,6](C[6,6,6a]C[6,6,6a]C[6,6a])(O[6]C[6,6a])(C[6]C[6]H)(OC)	C[6,6,6a](C[6,6,6a]C[6,6,6a]C[6,6a])(C[6,6,6a]C[6,6a]C[6,6])(C[6,6a]C[6a]O[6])	C[6,6,6a](C[6,6,6a]C[6,6,6a]C[6,6a])(C[6,6a]C[6a]C[6])(C[6,6]C[6]O[6]O){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6,6](C[6,6,6a]C[6,6,6a]C[6,6a])(O[6]C[6,6a])(C[6]C[6]H)(OC){1|H<1>,5|C<3>}	C[6,6,6a](C[6,6,6a]C[6,6,6a]C[6,6a])(C[6,6,6a]C[6,6a]C[6,6])(C[6,6a]C[6a]O[6]){1|C<4>,1|H<1>,2|O<2>,5|C<3>}	116.0930	0.031	2	116.0930	0.001	2	116.0930	0.001	2	116.0930	0.001	2	118.5331	3.908	34	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[6,6]	C[6,6,6a]	3:3:4:	3:3:3:2:	3:3:4:	C[6,6a,6a]-3:C[6,6,6a]-3:C[6,6]-4:	C[6,6,6a]-3:C[6a]-3:C[6]-3:N[6]-2:	C[6,6a,6a]-3:C[6,6,6a]-3:C[6,6]-4:	C[6,6,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[6,6,6a]C[6,6a,6a]C[6,6])(C[6,6]C[6a]C[6]N[6])	C[6,6](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[6a]C[6a]N[6a])(C[6]C[6,6a]O)(N[6]C[6])	C[6,6,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[6,6,6a]C[6,6a,6a]C[6,6])(C[6,6]C[6,6a]C[6a]C[6])	C[6,6,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[6,6,6a]C[6,6a,6a]C[6,6])(C[6,6]C[6a]C[6]N[6]){1|N<2>,1|O<1>,9|C<3>}	C[6,6](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[6a]C[6a]N[6a])(C[6]C[6,6a]O)(N[6]C[6]){1|C<4>,1|H<1>,7|C<3>}	C[6,6,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[6,6,6a]C[6,6a,6a]C[6,6])(C[6,6]C[6,6a]C[6a]C[6]){11|C<3>,1|N<2>}	122.3620	0.000	1	122.3620	0.000	1	122.3620	0.000	1	122.3620	0.000	1	118.5331	3.908	34	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[6,6]	C[6,6,6a]	3:3:4:	3:3:3:3:	3:3:4:	C[6,6a,6a]-3:C[6,6,6a]-3:C[6,6]-4:	C[6,6,6a]-3:C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a,6a]-3:C[6,6,6a]-3:C[6,6]-4:	C[6,6,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[6,6,6a]C[6,6a,6a]C[6,6])(C[6,6]C[6,6a]C[6a]C[6])	C[6,6](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[6,6a]C[6,6a,6a]C[5a,6a])(C[6]C[6a]N[6])(C[6a]C[6a]2)	C[6,6,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[6,6,6a]C[6,6a,6a]C[6,6])(C[6,6]C[6a]C[6]N[6])	C[6,6,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[6,6,6a]C[6,6a,6a]C[6,6])(C[6,6]C[6,6a]C[6a]C[6]){11|C<3>,1|N<2>}	C[6,6](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[6,6a]C[6,6a,6a]C[5a,6a])(C[6]C[6a]N[6])(C[6a]C[6a]2){10|C<3>,1|C<4>,2|H<1>}	C[6,6,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[6,6,6a]C[6,6a,6a]C[6,6])(C[6,6]C[6a]C[6]N[6]){1|N<2>,1|O<1>,9|C<3>}	121.2070	0.000	1	121.2070	0.000	1	121.2070	0.000	1	121.2070	0.000	1	118.5331	3.908	34	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[6,6]	C[6,6,6a]	3:3:4:	3:3:3:3:	3:4:3:	C[6,6a,6a]-3:C[6,6,6a]-3:C[6,6]-4:	C[6,6,6a]-3:C[6a]-3:C[6]-3:N[6]-3:	C[6,6a,6a]-3:C[3x6]-4:C[6,6,6a]-3:	C[6,6,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[6,6,6a]C[6,6a,6a]C[3x6])(C[6,6]C[6a]C[6]N[6])	C[6,6](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[6a]C[6a]N[6a])(C[6]C[6,6a]O)(N[6]C[6,6]H)	C[6,6,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[3x6]C[6,6,6a]C[6,6]C[6a])(C[6,6,6a]C[6,6a,6a]C[6,6])	C[6,6,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[6,6,6a]C[6,6a,6a]C[3x6])(C[6,6]C[6a]C[6]N[6]){1|C<4>,1|H<1>,1|N<2>,1|O<1>,8|C<3>}	C[6,6](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[6a]C[6a]N[6a])(C[6]C[6,6a]O)(N[6]C[6,6]H){1|C<4>,1|H<1>,1|O<2>,7|C<3>}	C[6,6,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[3x6]C[6,6,6a]C[6,6]C[6a])(C[6,6,6a]C[6,6a,6a]C[6,6]){11|C<3>,1|N<3>,1|O<2>}	124.1600	0.000	1	124.1600	0.000	1	124.1600	0.000	1	124.1600	0.000	1	118.5331	3.908	34	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[6,6]	C[6,6,6a]	3:3:4:	3:3:4:1:	3:3:4:	C[6,6a,6a]-3:C[6,6,6a]-3:C[6,6]-4:	C[6,6,6a]-3:C[6,6a]-3:C[6]-4:H-1:	C[6,6a,6a]-3:C[6,6,6a]-3:C[6,6]-4:	C[6,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[6,6,6a]C[6,6a,6a]C[6,6])(C[6,6]C[6,6a]C[6]H)	C[6,6](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]CoH)(H)	C[6,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[6,6,6a]C[6,6a,6a]C[6,6])(C[6,6]C[6,6a]C[6]H)	C[6,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[6,6,6a]C[6,6a,6a]C[6,6])(C[6,6]C[6,6a]C[6]H){1|Co<9>,1|C<4>,2|H<1>,7|C<3>}	C[6,6](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]CoH)(H){1|C<4>,1|H<1>,5|C<3>}	C[6,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[6,6,6a]C[6,6a,6a]C[6,6])(C[6,6]C[6,6a]C[6]H){1|Co<9>,1|C<4>,2|H<1>,7|C<3>}	121.8630	1.069	2	121.8630	1.143	2	121.8630	1.143	2	121.8630	1.143	2	118.5331	3.908	34	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[6,6]	C[6,6,6a]	3:3:4:	3:4:3:3:	3:3:4:	C[6,6a,6a]-3:C[6,6,6a]-3:C[6,6]-4:	C[6,6,6a]-3:C[6,6]-4:C[6a]-3:C[6]-3:	C[6,6a,6a]-3:C[6,6,6a]-3:C[6,6]-4:	C[6,6,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[6,6,6a]C[6,6a,6a]C[6,6])(C[6,6]C[6,6]C[6a]C[6])	C[6,6](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[6,6]C[6,6,6a]C[5,6]H)(C[6a]C[6a]N[6a])(C[6]C[6]H)	C[6,6,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[6,6,6a]C[6,6a,6a]C[6,6])(C[6,6]C[6,6]C[6a]C[6])	C[6,6,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[6,6,6a]C[6,6a,6a]C[6,6])(C[6,6]C[6,6]C[6a]C[6]){1|C<4>,1|N<2>,2|H<1>,9|C<3>}	C[6,6](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[6,6]C[6,6,6a]C[5,6]H)(C[6a]C[6a]N[6a])(C[6]C[6]H){1|C<4>,2|H<1>,8|C<3>}	C[6,6,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[6,6,6a]C[6,6a,6a]C[6,6])(C[6,6]C[6,6]C[6a]C[6]){1|C<4>,1|N<2>,2|H<1>,9|C<3>}	121.0380	0.000	1	121.0435	0.000	2	121.0435	0.000	2	121.0435	0.000	2	118.5331	3.908	34	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[6,6]	C[6,6,6a]	3:3:4:	3:4:3:3:	3:3:4:	C[6,6a,6a]-3:C[6,6,6a]-3:C[6,6]-4:	C[6,6,6a]-3:C[6,6]-4:C[6a]-3:C[6]-3:	C[6,6a,6a]-3:C[6,6,6a]-3:C[6,6]-4:	C[6,6,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[6,6,6a]C[6,6a,6a]C[6,6])(C[6,6]C[6,6]C[6a]C[6])	C[6,6](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[6,6]C[6,6,6a]C[5,6]H)(C[6a]C[6a]N[6a])(C[6]C[6]H)	C[6,6,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[6,6,6a]C[6,6a,6a]C[6,6])(C[6,6]C[6,6]C[6a]C[6])	C[6,6,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[6,6,6a]C[6,6a,6a]C[6,6])(C[6,6]C[6,6]C[6a]C[6]){1|C<4>,1|N<2>,2|H<1>,9|C<3>}	C[6,6](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[6,6]C[6,6,6a]C[5,6]H)(C[6a]C[6a]N[6a])(C[6]C[6]H){2|C<4>,2|H<1>,7|C<3>}	C[6,6,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[6,6,6a]C[6,6a,6a]C[6,6])(C[6,6]C[6,6]C[6a]C[6]){1|C<4>,1|N<2>,2|H<1>,9|C<3>}	121.0490	0.000	1	121.0435	0.000	2	121.0435	0.000	2	121.0435	0.000	2	118.5331	3.908	34	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[6,6]	C[6,6,6a]	3:4:2:	3:4:1:1:	3:4:3:	C[6,6,6a]-3:C[6,6]-4:N[6a]-2:	C[6,6,6a]-3:C[4,6,6]-4:H-1:H-1:	C[6,6,6a]-3:C[4,6,6]-4:C[6a]-3:	C[6,6,6a](C[6,6,6a]C[4,6,6]C[6a])(C[6,6]C[4,6,6]HH)(N[6a]C[6a])	C[6,6](C[6,6,6a]C[6,6,6a]N[6a])(C[4,6,6]C[4,6]2H)(H)2	C[6,6,6a](C[6,6,6a]C[6,6]N[6a])(C[4,6,6]C[4,6]2H)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[4,6,6]C[6a])(C[6,6]C[4,6,6]HH)(N[6a]C[6a]){2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6,6a]C[6,6,6a]N[6a])(C[4,6,6]C[4,6]2H)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[6,6,6a](C[6,6,6a]C[6,6]N[6a])(C[4,6,6]C[4,6]2H)(C[6a]C[6a]H){1|C<3>,3|C<4>,5|H<1>}	118.0595	0.147	6	118.0595	0.022	6	118.0595	0.022	6	118.0595	0.022	6	118.5331	3.908	34	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[6,6]	C[6,6,6a]	3:4:2:	3:4:4:1:	3:4:3:	C[6,6,6a]-3:C[6,6]-4:N[6a]-2:	C[6,6,6a]-3:C[4,6,6]-4:C-4:H-1:	C[6,6,6a]-3:C[4,6,6]-4:C[6a]-3:	C[6,6,6a](C[6,6,6a]C[4,6,6]C[6a])(C[6,6]C[4,6,6]CH)(N[6a]C[6a])	C[6,6](C[6,6,6a]C[6,6,6a]N[6a])(C[4,6,6]C[4,6]2H)(CCCH)(H)	C[6,6,6a](C[6,6,6a]C[6,6]N[6a])(C[4,6,6]C[4,6]2H)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[4,6,6]C[6a])(C[6,6]C[4,6,6]CH)(N[6a]C[6a]){2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6,6a]C[6,6,6a]N[6a])(C[4,6,6]C[4,6]2H)(CCCH)(H){2|C<3>,2|H<1>,3|C<4>}	C[6,6,6a](C[6,6,6a]C[6,6]N[6a])(C[4,6,6]C[4,6]2H)(C[6a]C[6a]H){1|C<3>,4|C<4>,4|H<1>}	118.4500	0.000	1	118.4500	0.000	1	118.2622	0.333	4	118.2622	0.333	4	118.5331	3.908	34	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[6,6]	C[6,6,6a]	3:4:2:	3:4:4:1:	3:4:3:	C[6,6,6a]-3:C[6,6]-4:N[6a]-2:	C[6,6,6a]-3:C[4,6,6]-4:C-4:H-1:	C[6,6,6a]-3:C[4,6,6]-4:C[6a]-3:	C[6,6,6a](C[6,6,6a]C[4,6,6]C[6a])(C[6,6]C[4,6,6]CH)(N[6a]C[6a])	C[6,6](C[6,6,6a]C[6,6,6a]N[6a])(C[4,6,6]C[4,6]2H)(CC[6a]HH)(H)	C[6,6,6a](C[6,6,6a]C[6,6]N[6a])(C[4,6,6]C[4,6]2H)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[4,6,6]C[6a])(C[6,6]C[4,6,6]CH)(N[6a]C[6a]){2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6,6a]C[6,6,6a]N[6a])(C[4,6,6]C[4,6]2H)(CC[6a]HH)(H){2|C<3>,2|H<1>,3|C<4>}	C[6,6,6a](C[6,6,6a]C[6,6]N[6a])(C[4,6,6]C[4,6]2H)(C[6a]C[6a]H){1|C<3>,4|C<4>,4|H<1>}	118.5715	0.349	2	118.5715	0.122	2	118.2622	0.333	4	118.2622	0.333	4	118.5331	3.908	34	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[6,6]	C[6,6,6a]	3:4:2:	3:4:4:1:	3:4:3:	C[6,6,6a]-3:C[6,6]-4:N[6a]-2:	C[6,6,6a]-3:C[4,6,6]-4:C-4:H-1:	C[6,6,6a]-3:C[4,6,6]-4:C[6a]-3:	C[6,6,6a](C[6,6,6a]C[4,6,6]C[6a])(C[6,6]C[4,6,6]CH)(N[6a]C[6a])	C[6,6](C[6,6,6a]C[6,6,6a]N[6a])(C[4,6,6]C[4,6]2H)(CH3)(H)	C[6,6,6a](C[6,6,6a]C[6,6]N[6a])(C[4,6,6]C[4,6]2H)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[4,6,6]C[6a])(C[6,6]C[4,6,6]CH)(N[6a]C[6a]){2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6,6a]C[6,6,6a]N[6a])(C[4,6,6]C[4,6]2H)(CH3)(H){2|C<3>,2|H<1>,3|C<4>}	C[6,6,6a](C[6,6,6a]C[6,6]N[6a])(C[4,6,6]C[4,6]2H)(C[6a]C[6a]H){1|C<3>,4|C<4>,4|H<1>}	117.4560	0.000	1	117.4560	0.000	1	118.2622	0.333	4	118.2622	0.333	4	118.5331	3.908	34	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[6,6]	C[6,6,6a]	3:4:2:	4:3:4:1:	3:4:3:	C[6,6,6a]-3:C[6,6]-4:N[6a]-2:	C[6,6]-4:C[6,6,6a]-3:C[4,6,6]-4:H-1:	C[6,6,6a]-3:C[4,6,6]-4:C[6a]-3:	C[6,6,6a](C[6,6,6a]C[4,6,6]C[6a])(C[6,6]C[4,6,6]C[6,6]H)(N[6a]C[6a])	C[6,6](C[6,6]C[6,6,6a]C[4,6,6]H)(C[6,6,6a]C[6,6,6a]N[6a])(C[4,6,6]C[4,6]2H)(H)	C[6,6,6a](C[6,6,6a]C[6,6]N[6a])(C[4,6,6]C[4,6]2H)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[4,6,6]C[6a])(C[6,6]C[4,6,6]C[6,6]H)(N[6a]C[6a]){2|C<3>,4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6,6a]C[4,6,6]H)(C[6,6,6a]C[6,6,6a]N[6a])(C[4,6,6]C[4,6]2H)(H){1|N<2>,3|C<3>,3|H<1>,5|C<4>}	C[6,6,6a](C[6,6,6a]C[6,6]N[6a])(C[4,6,6]C[4,6]2H)(C[6a]C[6a]H){1|C<3>,4|C<4>,4|H<1>}	119.1330	0.000	1	118.7500	0.293	2	118.7500	0.293	2	118.7500	0.293	2	118.5331	3.908	34	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[6,6]	C[6,6,6a]	3:4:2:	4:3:4:1:	3:4:3:	C[6,6,6a]-3:C[6,6]-4:N[6a]-2:	C[6,6]-4:C[6,6,6a]-3:C[4,6,6]-4:H-1:	C[6,6,6a]-3:C[4,6,6]-4:C[6a]-3:	C[6,6,6a](C[6,6,6a]C[4,6,6]C[6a])(C[6,6]C[4,6,6]C[6,6]H)(N[6a]C[6a])	C[6,6](C[6,6]C[6,6,6a]C[4,6,6]H)(C[6,6,6a]C[6,6,6a]N[6a])(C[4,6,6]C[4,6]2H)(H)	C[6,6,6a](C[6,6,6a]C[6,6]N[6a])(C[4,6,6]C[4,6]2H)(C[6a]C[6a]H)	C[6,6,6a](C[6,6,6a]C[4,6,6]C[6a])(C[6,6]C[4,6,6]C[6,6]H)(N[6a]C[6a]){3|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6,6a]C[4,6,6]H)(C[6,6,6a]C[6,6,6a]N[6a])(C[4,6,6]C[4,6]2H)(H){1|N<2>,3|C<3>,3|H<1>,5|C<4>}	C[6,6,6a](C[6,6,6a]C[6,6]N[6a])(C[4,6,6]C[4,6]2H)(C[6a]C[6a]H){1|C<3>,4|C<4>,4|H<1>}	118.3670	0.000	1	118.7500	0.293	2	118.7500	0.293	2	118.7500	0.293	2	118.5331	3.908	34	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[6,6]	C[6,6,6a]	3:4:3:	3:4:1:1:	3:4:3:	C[6,6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6,6a]-3:C[4,6,6]-4:H-1:H-1:	C[6,6,6a]-3:C[4,6,6]-4:C[6a]-3:	C[6,6,6a](C[6,6,6a]C[4,6,6]C[6a])(C[6,6]C[4,6,6]HH)(C[6a]C[6a]H)	C[6,6](C[6,6,6a]C[6,6,6a]C[6a])(C[4,6,6]C[4,6]2H)(H)2	C[6,6,6a](C[6,6,6a]C[6,6]C[6a])(C[4,6,6]C[4,6]2H)(C[6a]N[6a]H)	C[6,6,6a](C[6,6,6a]C[4,6,6]C[6a])(C[6,6]C[4,6,6]HH)(C[6a]C[6a]H){1|C<3>,1|N<2>,2|C<4>,3|H<1>}	C[6,6](C[6,6,6a]C[6,6,6a]C[6a])(C[4,6,6]C[4,6]2H)(H)2{2|C<3>,3|C<4>,3|H<1>}	C[6,6,6a](C[6,6,6a]C[6,6]C[6a])(C[4,6,6]C[4,6]2H)(C[6a]N[6a]H){1|C<3>,3|C<4>,5|H<1>}	117.4031	0.718	12	117.4031	0.516	12	117.4031	0.516	12	117.4031	0.516	12	118.5331	3.908	34	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[6,6]	C[6,6,6a]	3:4:3:	3:4:2:1:	3:3:3:	C[6,6,6a]-3:C[6,6]-4:C[6,6a]-3:	C[6,6,6a]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6a]-3:	C[6,6,6a](C[6,6,6a]C[6,6,6a]C[6,6a])(C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]O[6])	C[6,6](C[6,6,6a]C[6,6,6a]C[6,6a])(C[6,6]C[6,6]2H)(O[6]C[6,6a])(H)	C[6,6,6a](C[6,6,6a]C[6,6,6a]C[6,6a])(C[6,6,6a]C[6,6a]C[6,6])(C[6,6a]C[6a]O[6])	C[6,6,6a](C[6,6,6a]C[6,6,6a]C[6,6a])(C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]O[6]){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6,6](C[6,6,6a]C[6,6,6a]C[6,6a])(C[6,6]C[6,6]2H)(O[6]C[6,6a])(H){1|O<2>,4|C<3>,5|C<4>}	C[6,6,6a](C[6,6,6a]C[6,6,6a]C[6,6a])(C[6,6,6a]C[6,6a]C[6,6])(C[6,6a]C[6a]O[6]){1|H<1>,2|C<4>,3|C<3>,3|O<2>}	116.6560	0.000	1	116.6560	0.000	1	116.6560	0.000	1	116.6560	0.000	1	118.5331	3.908	34	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[6,6]	C[6,6a,6a]	3:3:4:	3:3:3:2:	3:3:3:	C[6,6a,6a]-3:C[6,6,6a]-3:C[6,6]-4:	C[6,6,6a]-3:C[6a]-3:C[6]-3:N[6]-2:	C[6,6a,6a]-3:C[6,6,6a]-3:C[5a,6a,6a]-3:	C[6,6,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[6,6,6a]C[6,6a,6a]C[6,6])(C[6,6]C[6a]C[6]N[6])	C[6,6](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[6a]C[6a]N[6a])(C[6]C[6,6a]O)(N[6]C[6])	C[6,6a,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a])(C[6,6,6a]C[6,6,6a]C[6,6])(C[5a,6a,6a]C[5a,6a,6a]2)	C[6,6,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[6,6,6a]C[6,6a,6a]C[6,6])(C[6,6]C[6a]C[6]N[6]){1|N<2>,1|O<1>,9|C<3>}	C[6,6](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[6a]C[6a]N[6a])(C[6]C[6,6a]O)(N[6]C[6]){1|C<4>,1|H<1>,7|C<3>}	C[6,6a,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a])(C[6,6,6a]C[6,6,6a]C[6,6])(C[5a,6a,6a]C[5a,6a,6a]2){1|C<4>,1|N<2>,8|C<3>}	117.2100	0.000	1	117.2100	0.000	1	117.2100	0.000	1	117.2100	0.000	1	118.1073	4.661	15	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[6,6]	C[6,6a,6a]	3:3:4:	3:3:3:3:	3:3:3:	C[6,6a,6a]-3:C[6,6,6a]-3:C[6,6]-4:	C[6,6,6a]-3:C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a,6a]-3:C[6,6,6a]-3:C[5a,6a,6a]-3:	C[6,6,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[6,6,6a]C[6,6a,6a]C[6,6])(C[6,6]C[6,6a]C[6a]C[6])	C[6,6](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[6,6a]C[6,6a,6a]C[5a,6a])(C[6]C[6a]N[6])(C[6a]C[6a]2)	C[6,6a,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[6,6,6a]C[6,6,6a]C[6,6])(C[5a,6a,6a]C[5a,6a,6a]2)	C[6,6,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[6,6,6a]C[6,6a,6a]C[6,6])(C[6,6]C[6,6a]C[6a]C[6]){11|C<3>,1|N<2>}	C[6,6](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[6,6a]C[6,6a,6a]C[5a,6a])(C[6]C[6a]N[6])(C[6a]C[6a]2){10|C<3>,1|C<4>,2|H<1>}	C[6,6a,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[6,6,6a]C[6,6,6a]C[6,6])(C[5a,6a,6a]C[5a,6a,6a]2){1|C<4>,9|C<3>}	116.8910	0.000	1	116.8910	0.000	1	116.8910	0.000	1	116.2455	0.833	2	118.1073	4.661	15	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[6,6]	C[6,6a,6a]	3:3:4:	3:3:3:3:	3:3:3:	C[6,6a,6a]-3:C[6,6,6a]-3:C[6,6]-4:	C[6,6,6a]-3:C[6a]-3:C[6]-3:N[6]-3:	C[6,6a,6a]-3:C[6,6,6a]-3:C[5a,6a,6a]-3:	C[6,6,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[6,6,6a]C[6,6a,6a]C[3x6])(C[6,6]C[6a]C[6]N[6])	C[6,6](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[6a]C[6a]N[6a])(C[6]C[6,6a]O)(N[6]C[6,6]H)	C[6,6a,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a])(C[6,6,6a]C[6,6,6a]C[6,6])(C[5a,6a,6a]C[5a,6a,6a]2)	C[6,6,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[6,6,6a]C[6,6a,6a]C[3x6])(C[6,6]C[6a]C[6]N[6]){1|C<4>,1|H<1>,1|N<2>,1|O<1>,8|C<3>}	C[6,6](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[6a]C[6a]N[6a])(C[6]C[6,6a]O)(N[6]C[6,6]H){1|C<4>,1|H<1>,1|O<2>,7|C<3>}	C[6,6a,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a])(C[6,6,6a]C[6,6,6a]C[6,6])(C[5a,6a,6a]C[5a,6a,6a]2){1|C<4>,1|N<3>,8|C<3>}	115.6000	0.000	1	115.6000	0.000	1	115.6000	0.000	1	116.2455	0.833	2	118.1073	4.661	15	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[6,6]	C[6,6a,6a]	3:3:4:	3:3:4:1:	3:3:3:	C[6,6a,6a]-3:C[6,6,6a]-3:C[6,6]-4:	C[6,6,6a]-3:C[6,6a]-3:C[6]-4:H-1:	C[6,6a,6a]-3:C[6,6,6a]-3:C[5,6a,6a]-3:	C[6,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[6,6,6a]C[6,6a,6a]C[6,6])(C[6,6]C[6,6a]C[6]H)	C[6,6](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]CoH)(H)	C[6,6a,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[6,6,6a]C[6,6,6a]C[6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[6,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[6,6,6a]C[6,6a,6a]C[6,6])(C[6,6]C[6,6a]C[6]H){1|Co<9>,1|C<4>,2|H<1>,7|C<3>}	C[6,6](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]CoH)(H){1|C<4>,1|H<1>,5|C<3>}	C[6,6a,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[6,6,6a]C[6,6,6a]C[6,6])(C[5,6a,6a]C[5,6a,6a]2){1|H<1>,2|C<4>,7|C<3>}	115.5660	0.000	1	115.5660	0.000	1	115.2925	0.150	2	115.2925	0.150	2	118.1073	4.661	15	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[6,6]	C[6,6a,6a]	3:3:4:	3:3:4:1:	3:3:3:	C[6,6a,6a]-3:C[6,6,6a]-3:C[6,6]-4:	C[6,6,6a]-3:C[6,6a]-3:C[6]-4:H-1:	C[6,6a,6a]-3:C[6,6,6a]-3:C[5,6a,6a]-3:	C[6,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[6,6,6a]C[6,6a,6a]C[6,6])(C[6,6]C[6,6a]C[6]H)	C[6,6](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]CoH)(H)	C[6,6a,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[6,6,6a]C[6,6,6a]C[6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[6,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[6,6,6a]C[6,6a,6a]C[6,6])(C[6,6]C[6,6a]C[6]H){1|Co<9>,1|C<4>,2|H<1>,7|C<3>}	C[6,6](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]CoH)(H){1|C<4>,1|H<1>,5|C<3>}	C[6,6a,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[6,6,6a]C[6,6,6a]C[6,6])(C[5,6a,6a]C[5,6a,6a]2){1|H<1>,2|C<4>,7|C<3>}	115.0190	0.000	1	115.0190	0.000	1	115.2925	0.150	2	115.2925	0.150	2	118.1073	4.661	15	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[6,6]	C[6,6a,6a]	3:3:4:	3:4:2:1:	3:3:3:	C[6,6a,6a]-3:C[6,6a]-3:C[6,6]-4:	C[6,6,6a]-3:C[6]-4:O[6]-2:H-1:	C[6,6,6a]-3:C[6a,6a]-3:C[6,6a]-3:	C[6,6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6,6a]C[5,6a]O[6])(C[6,6]C[6]O[6]H)	C[6,6](C[6,6,6a]C[6,6a,6a]C[6,6a])(C[6]C[5,6]HH)(O[6]C[6])(H)	C[6,6a,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a,6a]C[5,6a]C[6a])(C[6,6a]C[6a]C[6])	C[6,6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6,6a]C[5,6a]O[6])(C[6,6]C[6]O[6]H){2|C<4>,2|H<1>,4|C<3>}	C[6,6](C[6,6,6a]C[6,6a,6a]C[6,6a])(C[6]C[5,6]HH)(O[6]C[6])(H){1|C<4>,1|O<1>,2|O<2>,3|C<3>}	C[6,6a,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a,6a]C[5,6a]C[6a])(C[6,6a]C[6a]C[6]){1|H<1>,1|O<1>,2|C<3>,3|C<4>,3|O<2>}	118.3060	0.011	2	118.3060	0.000	2	118.3060	0.000	2	118.3060	0.000	2	118.1073	4.661	15	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[6,6]	C[6,6a,6a]	3:3:4:	3:4:3:1:	3:3:3:	C[5a,6,6a]-3:C[6,6a,6a]-3:C[6,6]-4:	C[6,6,6a]-3:C[6,6]-4:C[5,6]-3:H-1:	C[6,6a,6a]-3:C[6,6,6a]-3:C[5a,6a,6a]-3:	C[6,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[6,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[6,6]C[5,6]C[6,6]H)	C[6,6](C[6,6,6a]C[5a,6,6a]C[6,6a,6a])(C[6,6]C[6,6,6a]C[6a]C[6])(C[5,6]C[5,6,6a]C[5,6])(H)	C[6,6a,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6,6a])(C[6,6,6a]C[5a,6,6a]C[6,6])(C[5a,6a,6a]C[5a,6a,6a]2)	C[6,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[6,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[6,6]C[5,6]C[6,6]H){10|C<3>}	C[6,6](C[6,6,6a]C[5a,6,6a]C[6,6a,6a])(C[6,6]C[6,6,6a]C[6a]C[6])(C[5,6]C[5,6,6a]C[5,6])(H){1|H<1>,1|N<2>,2|C<4>,8|C<3>}	C[6,6a,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6,6a])(C[6,6,6a]C[5a,6,6a]C[6,6])(C[5a,6a,6a]C[5a,6a,6a]2){1|C<4>,1|H<1>,8|C<3>}	121.2870	0.000	1	121.2870	0.000	1	121.2870	0.000	1	120.8075	0.460	2	118.1073	4.661	15	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[6,6]	C[6,6a,6a]	3:3:4:	3:4:3:1:	3:3:3:	C[6,6a,6a]-3:C[5,6,6a]-3:C[6,6]-4:	C[6,6,6a]-3:C[6,6]-4:C[5,6]-3:H-1:	C[6,6a,6a]-3:C[6,6,6a]-3:C[5a,6a,6a]-3:	C[6,6,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[5,6,6a]C[5,5,6,6]C[5,6a,6a])(C[6,6]C[5,6]C[6,6]H)	C[6,6](C[6,6,6a]C[6,6a,6a]C[5,6,6a])(C[6,6]C[6,6,6a]C[6a]C[6])(C[5,6]C[5,5,6,6]C[5,6])(H)	C[6,6a,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6,6a])(C[6,6,6a]C[5,6,6a]C[6,6])(C[5a,6a,6a]C[5a,6a,6a]2)	C[6,6,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[5,6,6a]C[5,5,6,6]C[5,6a,6a])(C[6,6]C[5,6]C[6,6]H){10|C<3>,1|C<4>}	C[6,6](C[6,6,6a]C[6,6a,6a]C[5,6,6a])(C[6,6]C[6,6,6a]C[6a]C[6])(C[5,6]C[5,5,6,6]C[5,6])(H){1|H<1>,1|N<2>,2|C<4>,9|C<3>}	C[6,6a,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6,6a])(C[6,6,6a]C[5,6,6a]C[6,6])(C[5a,6a,6a]C[5a,6a,6a]2){1|H<1>,2|C<4>,7|C<3>}	120.3280	0.000	1	120.3280	0.000	1	120.3280	0.000	1	120.8075	0.460	2	118.1073	4.661	15	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[6,6]	C[6,6a,6a]	3:3:4:	3:4:3:3:	3:3:3:	C[6,6a,6a]-3:C[6,6,6a]-3:C[6,6]-4:	C[6,6,6a]-3:C[6,6]-4:C[6a]-3:C[6]-3:	C[6,6a,6a]-3:C[6,6,6a]-3:C[5a,6a,6a]-3:	C[6,6,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[6,6,6a]C[6,6a,6a]C[6,6])(C[6,6]C[6,6]C[6a]C[6])	C[6,6](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[6,6]C[6,6,6a]C[5,6]H)(C[6a]C[6a]N[6a])(C[6]C[6]H)	C[6,6a,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6,6a])(C[6,6,6a]C[6,6,6a]C[6,6])(C[5a,6a,6a]C[5a,6a,6a]2)	C[6,6,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[6,6,6a]C[6,6a,6a]C[6,6])(C[6,6]C[6,6]C[6a]C[6]){1|C<4>,1|N<2>,2|H<1>,9|C<3>}	C[6,6](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[6,6]C[6,6,6a]C[5,6]H)(C[6a]C[6a]N[6a])(C[6]C[6]H){1|C<4>,2|H<1>,8|C<3>}	C[6,6a,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6,6a])(C[6,6,6a]C[6,6,6a]C[6,6])(C[5a,6a,6a]C[5a,6a,6a]2){2|C<4>,8|C<3>}	116.1870	0.000	1	116.5515	0.266	2	116.5515	0.266	2	116.5515	0.266	2	118.1073	4.661	15	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[6,6]	C[6,6a,6a]	3:3:4:	3:4:3:3:	3:3:3:	C[6,6a,6a]-3:C[6,6,6a]-3:C[6,6]-4:	C[6,6,6a]-3:C[6,6]-4:C[6a]-3:C[6]-3:	C[6,6a,6a]-3:C[6,6,6a]-3:C[5a,6a,6a]-3:	C[6,6,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[6,6,6a]C[6,6a,6a]C[6,6])(C[6,6]C[6,6]C[6a]C[6])	C[6,6](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[6,6]C[6,6,6a]C[5,6]H)(C[6a]C[6a]N[6a])(C[6]C[6]H)	C[6,6a,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6,6a])(C[6,6,6a]C[6,6,6a]C[6,6])(C[5a,6a,6a]C[5a,6a,6a]2)	C[6,6,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[6,6,6a]C[6,6a,6a]C[6,6])(C[6,6]C[6,6]C[6a]C[6]){1|C<4>,1|N<2>,2|H<1>,9|C<3>}	C[6,6](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[6,6]C[6,6,6a]C[5,6]H)(C[6a]C[6a]N[6a])(C[6]C[6]H){2|C<4>,2|H<1>,7|C<3>}	C[6,6a,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6,6a])(C[6,6,6a]C[6,6,6a]C[6,6])(C[5a,6a,6a]C[5a,6a,6a]2){2|C<4>,8|C<3>}	116.9160	0.000	1	116.5515	0.266	2	116.5515	0.266	2	116.5515	0.266	2	118.1073	4.661	15	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[6,6]	C[6,6a,6a]	3:3:4:	4:3:3:4:	3:3:3:	C[6,6a,6a]-3:C[6,6a,6a]-3:C[6,6]-4:	C[6,6]-4:C[6,6,6a]-3:C[6]-3:C-4:	C[6,6,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6,6,6a](C[6,6a,6a]C[6,6a,6a]C[6a,6a])(C[6,6a,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6]C)	C[6,6](C[6,6]C[6,6,6a]C[6]C)(C[6,6,6a]C[6,6a,6a]2)(C[6]C[6]H)(CH3)	C[6,6a,6a](C[6,6,6a]C[6,6a,6a]C[6,6])(C[6,6a]C[6a]C[6])(C[6a,6a]C[6a]2)	C[6,6,6a](C[6,6a,6a]C[6,6a,6a]C[6a,6a])(C[6,6a,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6]C){1|C<4>,1|H<1>,8|C<3>}	C[6,6](C[6,6]C[6,6,6a]C[6]C)(C[6,6,6a]C[6,6a,6a]2)(C[6]C[6]H)(CH3){2|H<1>,6|C<3>}	C[6,6a,6a](C[6,6,6a]C[6,6a,6a]C[6,6])(C[6,6a]C[6a]C[6])(C[6a,6a]C[6a]2){2|C<4>,4|C<3>,4|H<1>}	121.1020	1.058	2	121.1020	1.119	2	121.1020	1.119	2	119.9982	2.054	4	118.1073	4.661	15	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[6,6]	C[6,6a,6a]	3:3:4:	4:3:3:4:	3:3:3:	C[6,6a,6a]-3:C[6,6a,6a]-3:C[6,6]-4:	C[6,6]-4:C[6,6,6a]-3:C[6]-3:C-4:	C[6,6a,6a]-3:C[6,6,6a]-3:C[6a,6a]-3:	C[6,6,6a](C[6,6a,6a]C[6,6a,6a]C[6a,6a])(C[6,6a,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6]C)	C[6,6](C[6,6]C[6,6,6a]C[6]C)(C[6,6,6a]C[6,6a,6a]2)(C[6]C[6]H)(CH3)	C[6,6a,6a](C[6,6a,6a]C[6,6,6a]C[6a,6a])(C[6,6,6a]C[6,6a,6a]C[6,6])(C[6a,6a]C[6a]2)	C[6,6,6a](C[6,6a,6a]C[6,6a,6a]C[6a,6a])(C[6,6a,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6]C){1|C<4>,1|H<1>,8|C<3>}	C[6,6](C[6,6]C[6,6,6a]C[6]C)(C[6,6,6a]C[6,6a,6a]2)(C[6]C[6]H)(CH3){2|H<1>,6|C<3>}	C[6,6a,6a](C[6,6a,6a]C[6,6,6a]C[6a,6a])(C[6,6,6a]C[6,6a,6a]C[6,6])(C[6a,6a]C[6a]2){2|C<4>,2|H<1>,6|C<3>}	118.8945	0.414	2	118.8945	0.171	2	118.8945	0.171	2	119.9982	2.054	4	118.1073	4.661	15	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[6,6]	C[6,6a]	3:3:4:	3:2:3:2:	3:3:3:	C[6,6,6a]-3:C[6,6a]-3:C[6,6]-4:	C[6,6,6a]-3:O[6]-2:C[6]-3:O-2:	C[6,6,6a]-3:C[6a]-3:C[6]-3:	C[6,6,6a](C[6,6,6a]C[6,6,6a]C[6,6a])(C[6,6a]C[6a]C[6])(C[6,6]C[6]O[6]O)	C[6,6](C[6,6,6a]C[6,6,6a]C[6,6a])(O[6]C[6,6a])(C[6]C[6]H)(OC)	C[6,6a](C[6,6,6a]C[6,6,6a]C[6,6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6,6a](C[6,6,6a]C[6,6,6a]C[6,6a])(C[6,6a]C[6a]C[6])(C[6,6]C[6]O[6]O){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6,6](C[6,6,6a]C[6,6,6a]C[6,6a])(O[6]C[6,6a])(C[6]C[6]H)(OC){1|H<1>,5|C<3>}	C[6,6a](C[6,6,6a]C[6,6,6a]C[6,6])(C[6a]C[6a]H)(C[6]C[6]O){2|H<1>,2|O<2>,3|C<3>}	123.4080	0.089	2	123.4080	0.008	2	123.4080	0.008	2	123.4080	0.008	2	120.1374	6.707	85	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[6,6]	C[6,6a]	3:3:4:	3:3:3:1:	3:3:2:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:	C[6,6,6a]-3:N[6]-3:C[6]-3:H-1:	C[6,6,6a]-3:C[6a]-3:O[6]-2:	C[6,6,6a](C[6,6a]C[6a]C[6])(C[6,6a]C[6a]O[6])(C[6,6]C[6]N[6]H)	C[6,6](C[6,6,6a]C[6,6a]2)(N[6]C[6a]C[6])(C[6]C[6]C)(H)	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6,6a](C[6,6a]C[6a]C[6])(C[6,6a]C[6a]O[6])(C[6,6]C[6]N[6]H){3|H<1>,5|C<3>}	C[6,6](C[6,6,6a]C[6,6a]2)(N[6]C[6a]C[6])(C[6]C[6]C)(H){1|O<2>,7|C<3>}	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(O[6]C[6]){1|N<3>,2|H<1>,4|C<3>}	123.7850	0.000	1	123.7850	0.000	1	123.7850	0.000	1	122.4013	11.172	4	120.1374	6.707	85	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[6,6]	C[6,6a]	3:3:4:	3:3:3:1:	3:3:2:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[6a]-3:O[6]-2:	C[6,6,6a](C[6,6a]C[6a]N[6])(C[6,6a]C[6a]O[6])(C[6,6]C[6,6a]2H)	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6,6,6a]C[6,6a]2)(H)	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(O[6]C[6,6a])	C[6,6,6a](C[6,6a]C[6a]N[6])(C[6,6a]C[6a]O[6])(C[6,6]C[6,6a]2H){1|C<4>,2|H<1>,5|C<3>}	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6,6,6a]C[6,6a]2)(H){1|N<3>,2|O<2>,7|C<3>}	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|N<3>,2|H<1>,4|C<3>}	124.2610	0.000	1	124.2610	0.000	1	121.9400	15.482	3	122.4013	11.172	4	120.1374	6.707	85	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[6,6]	C[6,6a]	3:3:4:	3:3:3:1:	3:3:2:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[6a]-3:O[6]-2:	C[6,6,6a](C[6,6a]C[6a]O[6])2(C[6,6]C[6,6a]2H)	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6,6a]C[6,6a]2)(H)	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(O[6]C[6,6a])	C[6,6,6a](C[6,6a]C[6a]O[6])2(C[6,6]C[6,6a]2H){2|H<1>,5|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6,6a]C[6,6a]2)(H){4|O<2>,6|C<3>}	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|O<2>,2|H<1>,4|C<3>}	120.7795	4.784	2	120.7795	22.883	2	121.9400	15.482	3	122.4013	11.172	4	120.1374	6.707	85	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[6,6]	C[6,6a]	3:3:4:	3:3:3:1:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:	C[6,6,6a]-3:N[6]-3:C[6]-3:H-1:	C[6,6,6a]-3:C[6a]-3:C[6]-3:	C[6,6,6a](C[6,6a]C[6a]C[6])(C[6,6a]C[6a]O[6])(C[6,6]C[6]N[6]H)	C[6,6](C[6,6,6a]C[6,6a]2)(N[6]C[6a]C[6])(C[6]C[6]C)(H)	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6,6a](C[6,6a]C[6a]C[6])(C[6,6a]C[6a]O[6])(C[6,6]C[6]N[6]H){3|H<1>,5|C<3>}	C[6,6](C[6,6,6a]C[6,6a]2)(N[6]C[6a]C[6])(C[6]C[6]C)(H){1|O<2>,7|C<3>}	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(C[6]C[6]H){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	116.3850	0.000	1	116.3850	0.000	1	116.3850	0.000	1	117.9663	3.527	4	120.1374	6.707	85	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[6,6]	C[6,6a]	3:3:4:	3:3:3:1:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:	C[6,6,6a]-3:N[6]-3:N[6]-3:H-1:	C[6,6,6a]-3:C[6a]-3:N[6]-3:	C[6,6,6a](C[6,6a]C[6a]N[6])2(C[6,6]N[6]2H)	C[6,6](C[6,6,6a]C[6,6a]2)(N[6]C[6]H)2(H)	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6,6a](C[6,6a]C[6a]N[6])2(C[6,6]N[6]2H){3|C<3>,6|H<1>}	C[6,6](C[6,6,6a]C[6,6a]2)(N[6]C[6]H)2(H){2|C<3>,4|N<3>}	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,2|H<1>,4|N<3>}	119.5710	0.529	2	119.5710	0.280	2	119.5710	0.280	2	117.9663	3.527	4	120.1374	6.707	85	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[6,6]	C[6,6a]	3:3:4:	3:3:3:1:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:N[6]-3:C[6a]-3:	C[6,6,6a](C[6,6a]C[6a]N[6])(C[6,6a]C[6a]O[6])(C[6,6]C[6,6a]2H)	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6,6,6a]C[6,6a]2)(H)	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6,6,6a](C[6,6a]C[6a]N[6])(C[6,6a]C[6a]O[6])(C[6,6]C[6,6a]2H){1|C<4>,2|H<1>,5|C<3>}	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6,6,6a]C[6,6a]2)(H){1|N<3>,2|O<2>,7|C<3>}	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(N[6]C[6,6a]C)(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	116.3380	0.000	1	116.3380	0.000	1	116.3380	0.000	1	117.9663	3.527	4	120.1374	6.707	85	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[6,6]	C[6,6a]	3:3:4:	3:4:2:1:	3:3:2:	C[6,6a,6a]-3:C[6,6a]-3:C[6,6]-4:	C[6,6,6a]-3:C[6]-4:O[6]-2:H-1:	C[6,6,6a]-3:C[5,6a]-3:O[6]-2:	C[6,6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6,6a]C[5,6a]O[6])(C[6,6]C[6]O[6]H)	C[6,6](C[6,6,6a]C[6,6a,6a]C[6,6a])(C[6]C[5,6]HH)(O[6]C[6])(H)	C[6,6a](C[6,6,6a]C[6,6a,6a]C[6,6])(C[5,6a]C[5,6,6]C[5,6a])(O[6]C[5,6])	C[6,6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6,6a]C[5,6a]O[6])(C[6,6]C[6]O[6]H){2|C<4>,2|H<1>,4|C<3>}	C[6,6](C[6,6,6a]C[6,6a,6a]C[6,6a])(C[6]C[5,6]HH)(O[6]C[6])(H){1|C<4>,1|O<1>,2|O<2>,3|C<3>}	C[6,6a](C[6,6,6a]C[6,6a,6a]C[6,6])(C[5,6a]C[5,6,6]C[5,6a])(O[6]C[5,6]){1|H<1>,2|O<2>,3|C<3>,5|C<4>}	121.2640	0.018	2	121.2640	0.000	2	121.2640	0.000	2	120.1313	0.953	6	120.1374	6.707	85	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[6,6]	C[6,6a]	3:3:4:	3:4:2:1:	3:3:2:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:	C[6,6,6a]-3:C[6]-4:O[6]-2:H-1:	C[6,6,6a]-3:C[6a,6a]-3:O[6]-2:	C[6,6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a,6a]O[6])(C[6,6]C[6]O[6]H)	C[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6,6a]HH)(O[6]C[6])(H)	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a,6a]C[6a,6a]O[6a])(O[6]C[6])	C[6,6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a,6a]O[6])(C[6,6]C[6]O[6]H){1|C<4>,2|H<1>,2|O<2>,3|C<3>}	C[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6,6a]HH)(O[6]C[6])(H){1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a,6a]C[6a,6a]O[6a])(O[6]C[6]){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	119.0690	0.000	1	119.0690	0.000	1	119.0690	0.000	1	120.1313	0.953	6	120.1374	6.707	85	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[6,6]	C[6,6a]	3:3:4:	3:4:2:1:	3:3:2:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:	C[6,6,6a]-3:C[6]-4:O[6]-2:H-1:	C[6,6,6a]-3:C[6a]-3:O[6]-2:	C[6,6,6a](C[6,6a]C[6a]C[6])(C[6,6a]C[6a]O[6])(C[6,6]C[6]O[6]H)	C[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[5,6]HH)(O[6]C[6])(H)	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]C)(O[6]C[5,6])	C[6,6,6a](C[6,6a]C[6a]C[6])(C[6,6a]C[6a]O[6])(C[6,6]C[6]O[6]H){2|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[5,6]HH)(O[6]C[6])(H){1|H<1>,2|C<3>,2|O<2>,3|C<4>}	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]C)(O[6]C[5,6]){1|C<3>,1|H<1>,3|C<4>,3|O<2>}	120.0320	0.000	1	120.0320	0.000	1	119.7303	0.293	3	120.1313	0.953	6	120.1374	6.707	85	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[6,6]	C[6,6a]	3:3:4:	3:4:2:1:	3:3:2:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:	C[6,6,6a]-3:C[6]-4:O[6]-2:H-1:	C[6,6,6a]-3:C[6a]-3:O[6]-2:	C[6,6,6a](C[6,6a]C[6a]C[6])(C[6,6a]C[6a]O[6])(C[6,6]C[6]O[6]H)	C[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6]CH)(O[6]C[6])(H)	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6,6a](C[6,6a]C[6a]C[6])(C[6,6a]C[6a]O[6])(C[6,6]C[6]O[6]H){2|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6]CH)(O[6]C[6])(H){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,2|H<1>,2|O<2>,3|C<4>}	119.5795	0.671	2	119.5795	0.450	2	119.7303	0.293	3	120.1313	0.953	6	120.1374	6.707	85	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[6,6]	C[6,6a]	3:3:4:	3:4:2:1:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:	C[6,6,6a]-3:C[6]-4:O[6]-2:H-1:	C[6,6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a,6a]O[6])(C[6,6]C[6]O[6]H)	C[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6,6a]HH)(O[6]C[6])(H)	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]O)	C[6,6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a,6a]O[6])(C[6,6]C[6]O[6]H){1|C<4>,2|H<1>,2|O<2>,3|C<3>}	C[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6,6a]HH)(O[6]C[6])(H){1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]O){1|C<4>,1|H<1>,3|O<2>,4|C<3>}	118.0110	0.000	1	118.0110	0.000	1	118.0110	0.000	1	118.0110	0.000	1	120.1374	6.707	85	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[6,6]	C[6,6a]	3:3:4:	3:4:2:1:	3:3:4:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:	C[6,6,6a]-3:C[6]-4:O[6]-2:H-1:	C[6,6,6a]-3:C[6a]-3:C[6]-4:	C[6,6,6a](C[6,6a]C[6a]C[6])(C[6,6a]C[6a]O[6])(C[6,6]C[6]O[6]H)	C[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[5,6]HH)(O[6]C[6])(H)	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6,6a](C[6,6a]C[6a]C[6])(C[6,6a]C[6a]O[6])(C[6,6]C[6]O[6]H){2|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[5,6]HH)(O[6]C[6])(H){1|H<1>,2|C<3>,2|O<2>,3|C<4>}	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,2|C<4>,2|H<1>,3|O<2>}	120.0520	0.000	1	120.0520	0.000	1	120.6017	0.297	3	120.6017	0.297	3	120.1374	6.707	85	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[6,6]	C[6,6a]	3:3:4:	3:4:2:1:	3:3:4:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:	C[6,6,6a]-3:C[6]-4:O[6]-2:H-1:	C[6,6,6a]-3:C[6a]-3:C[6]-4:	C[6,6,6a](C[6,6a]C[6a]C[6])(C[6,6a]C[6a]O[6])(C[6,6]C[6]O[6]H)	C[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6]CH)(O[6]C[6])(H)	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6,6a](C[6,6a]C[6a]C[6])(C[6,6a]C[6a]O[6])(C[6,6]C[6]O[6]H){2|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6]CH)(O[6]C[6])(H){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	120.8765	0.374	2	120.8765	0.140	2	120.6017	0.297	3	120.6017	0.297	3	120.1374	6.707	85	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[6,6]	C[6,6a]	3:3:4:	3:4:3:1:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:	C[6,6,6a]-3:C[6]-4:N[6]-3:H-1:	C[6,6,6a]-3:C[6,6a]-3:C[5,6a]-3:	C[6,6,6a](C[6,6a]C[5,6a]C[6,6a])(C[6,6a]C[6a]C[6])(C[6,6]C[6]N[6]H)	C[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6,6a]HH)(N[6]C[6]C)(H)	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6,6a]C[6,6a]C[6a])(C[5,6a]C[5,6a]O[5])	C[6,6,6a](C[6,6a]C[5,6a]C[6,6a])(C[6,6a]C[6a]C[6])(C[6,6]C[6]N[6]H){1|C<4>,1|O<2>,4|C<3>,5|H<1>}	C[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6,6a]HH)(N[6]C[6]C)(H){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6,6a]C[6,6a]C[6a])(C[5,6a]C[5,6a]O[5]){1|N<3>,1|O<2>,2|H<1>,3|C<3>,3|C<4>}	115.2050	0.000	1	116.3023	1.104	3	116.3023	1.104	3	116.4236	1.092	5	120.1374	6.707	85	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[6,6]	C[6,6a]	3:3:4:	3:4:3:1:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:	C[6,6,6a]-3:C[6]-4:N[6]-3:H-1:	C[6,6,6a]-3:C[6,6a]-3:C[5,6a]-3:	C[6,6,6a](C[6,6a]C[5,6a]C[6,6a])(C[6,6a]C[6a]C[6])(C[6,6]C[6]N[6]H)	C[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6,6a]HH)(N[6]C[6]C)(H)	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6,6a]C[6,6a]C[6a])(C[5,6a]C[5,6a]O[5])	C[6,6,6a](C[6,6a]C[5,6a]C[6,6a])(C[6,6a]C[6a]C[6])(C[6,6]C[6]N[6]H){1|O<2>,2|C<4>,3|C<3>,5|H<1>}	C[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6,6a]HH)(N[6]C[6]C)(H){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6,6a]C[6,6a]C[6a])(C[5,6a]C[5,6a]O[5]){1|N<3>,1|O<2>,2|H<1>,3|C<3>,3|C<4>}	116.8510	0.634	2	116.3023	1.104	3	116.3023	1.104	3	116.4236	1.092	5	120.1374	6.707	85	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[6,6]	C[6,6a]	3:3:4:	3:4:3:1:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:	C[6,6,6a]-3:C[6]-4:N[6]-3:H-1:	C[6,6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6,6]C[6]N[6]H)	C[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6,6a]HH)(N[6]C[6]C)(H)	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]O)	C[6,6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6,6]C[6]N[6]H){1|C<4>,1|O<2>,4|C<3>,5|H<1>}	C[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6,6a]HH)(N[6]C[6]C)(H){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]O){1|H<1>,1|N<3>,2|C<4>,2|O<2>,3|C<3>}	115.5930	0.000	1	116.6055	2.050	2	116.6055	2.050	2	116.4236	1.092	5	120.1374	6.707	85	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[6,6]	C[6,6a]	3:3:4:	3:4:3:1:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:	C[6,6,6a]-3:C[6]-4:N[6]-3:H-1:	C[6,6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6,6]C[6]N[6]H)	C[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6,6a]HH)(N[6]C[6]C)(H)	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]O)	C[6,6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6,6]C[6]N[6]H){1|C<4>,1|O<2>,4|C<3>,5|H<1>}	C[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6,6a]HH)(N[6]C[6]C)(H){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]O){1|N<3>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	117.6180	0.000	1	116.6055	2.050	2	116.6055	2.050	2	116.4236	1.092	5	120.1374	6.707	85	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[6,6]	C[6,6a]	3:3:4:	3:4:3:1:	3:3:4:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:	C[6,6,6a]-3:C[6]-4:N[6]-3:H-1:	C[6,6,6a]-3:C[6a]-3:C[6]-4:	C[6,6,6a](C[6,6a]C[5,6a]C[6,6a])(C[6,6a]C[6a]C[6])(C[6,6]C[6]N[6]H)	C[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6,6a]HH)(N[6]C[6]C)(H)	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[5,6a]H)(C[6]C[6]HH)	C[6,6,6a](C[6,6a]C[5,6a]C[6,6a])(C[6,6a]C[6a]C[6])(C[6,6]C[6]N[6]H){1|C<4>,1|O<2>,4|C<3>,5|H<1>}	C[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6,6a]HH)(N[6]C[6]C)(H){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[5,6a]H)(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<2>,2|C<3>,3|H<1>}	122.1310	0.000	1	121.4727	0.534	3	121.8542	1.133	5	121.8542	1.133	5	120.1374	6.707	85	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[6,6]	C[6,6a]	3:3:4:	3:4:3:1:	3:3:4:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:	C[6,6,6a]-3:C[6]-4:N[6]-3:H-1:	C[6,6,6a]-3:C[6a]-3:C[6]-4:	C[6,6,6a](C[6,6a]C[5,6a]C[6,6a])(C[6,6a]C[6a]C[6])(C[6,6]C[6]N[6]H)	C[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6,6a]HH)(N[6]C[6]C)(H)	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[5,6a]H)(C[6]C[6]HH)	C[6,6,6a](C[6,6a]C[5,6a]C[6,6a])(C[6,6a]C[6a]C[6])(C[6,6]C[6]N[6]H){1|O<2>,2|C<4>,3|C<3>,5|H<1>}	C[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6,6a]HH)(N[6]C[6]C)(H){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[5,6a]H)(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<2>,2|C<3>,3|H<1>}	121.1435	0.647	2	121.4727	0.534	3	121.8542	1.133	5	121.8542	1.133	5	120.1374	6.707	85	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[6,6]	C[6,6a]	3:3:4:	3:4:3:1:	3:3:4:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:	C[6,6,6a]-3:C[6]-4:N[6]-3:H-1:	C[6,6,6a]-3:C[6a]-3:C[6]-4:	C[6,6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6,6]C[6]N[6]H)	C[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6,6a]HH)(N[6]C[6]C)(H)	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6,6]C[6]N[6]H){1|C<4>,1|O<2>,4|C<3>,5|H<1>}	C[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6,6a]HH)(N[6]C[6]C)(H){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<2>,2|C<3>,3|H<1>}	122.4265	1.539	2	122.4265	2.370	2	121.8542	1.133	5	121.8542	1.133	5	120.1374	6.707	85	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[6,6]	C[6,6a]	3:3:4:	3:4:4:1:	3:3:2:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:	C[6,6,6a]-3:C[6]-4:C[6]-4:H-1:	C[6,6,6a]-3:C[6a]-3:O[6]-2:	C[6,6,6a](C[6,6a]C[6,6]C[6a])(C[6,6a]C[6a]O[6])(C[6,6]C[6]2H)	C[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6,6]HH)(C[6]C[6]HH)(H)	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(O[6]C[6])	C[6,6,6a](C[6,6a]C[6,6]C[6a])(C[6,6a]C[6a]O[6])(C[6,6]C[6]2H){1|C<3>,1|O<2>,4|C<4>,5|H<1>}	C[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6,6]HH)(C[6]C[6]HH)(H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(O[6]C[6]){2|C<3>,3|C<4>,3|H<1>}	120.2250	0.000	1	120.2250	0.000	1	120.0652	9.258	4	120.0652	9.258	4	120.1374	6.707	85	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[6,6]	C[6,6a]	3:3:4:	3:4:4:1:	3:3:2:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:	C[6,6,6a]-3:C[6]-4:C[6]-4:H-1:	C[6,6,6a]-3:C[6a]-3:O[6]-2:	C[6,6,6a](C[6,6a]C[6a]C[6])(C[6,6a]C[6a]O[6])(C[6,6]C[6]2H)	C[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6,6a](C[6,6a]C[6a]C[6])(C[6,6a]C[6a]O[6])(C[6,6]C[6]2H){1|O<2>,2|C<4>,3|C<3>,5|H<1>}	C[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,2|H<1>,3|O<2>}	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	120.4070	0.000	1	120.4070	0.000	1	120.0652	9.258	4	120.0652	9.258	4	120.1374	6.707	85	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[6,6]	C[6,6a]	3:3:4:	3:4:4:1:	3:3:2:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:	C[6,6,6a]-3:C[6]-4:C[6]-4:H-1:	C[6,6,6a]-3:C[6a]-3:O[6]-2:	C[6,6,6a](C[6,6a]C[6a]O[6])2(C[6,6]C[6]2H)	C[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6]CH)2(H)	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]C)(O[6]C[6])	C[6,6,6a](C[6,6a]C[6a]O[6])2(C[6,6]C[6]2H){2|C<3>,2|H<1>,5|C<4>}	C[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6]CH)2(H){2|C<3>,2|O<2>,4|C<4>}	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]C)(O[6]C[6]){1|C<3>,1|H<1>,2|O<2>,4|C<4>}	119.8145	5.245	2	119.8145	27.506	2	120.0652	9.258	4	120.0652	9.258	4	120.1374	6.707	85	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[6,6]	C[6,6a]	3:3:4:	3:4:4:1:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:	C[6,6,6a]-3:C[6]-4:C[6]-4:H-1:	C[6,6,6a]-3:C[6a]-3:C[6]-3:	C[6,6,6a](C[6,6a]C[6a]C[6])2(C[6,6]C[6]2H)	C[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]C)(C[6]C[6]O)	C[6,6,6a](C[6,6a]C[6a]C[6])2(C[6,6]C[6]2H){1|C<3>,1|O<1>,1|O<2>,4|H<1>,5|C<4>}	C[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<4>,3|C<3>,4|H<1>}	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]C)(C[6]C[6]O){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	120.5730	0.000	1	120.5730	0.000	1	119.0820	4.446	2	118.4803	3.309	3	120.1374	6.707	85	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[6,6]	C[6,6a]	3:3:4:	3:4:4:1:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:	C[6,6,6a]-3:C[6]-4:C[6]-4:H-1:	C[6,6,6a]-3:C[6a]-3:C[6]-3:	C[6,6,6a](C[6,6a]C[6a]C[6])2(C[6,6]C[6]2H)	C[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6]HH)(C[6]N[6]HH)(H)	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6,6a](C[6,6a]C[6a]C[6])2(C[6,6]C[6]2H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,8|H<1>}	C[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6]HH)(C[6]N[6]HH)(H){2|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,2|H<1>,4|C<4>}	117.5910	0.000	1	117.5910	0.000	1	119.0820	4.446	2	118.4803	3.309	3	120.1374	6.707	85	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[6,6]	C[6,6a]	3:3:4:	3:4:4:1:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:	C[6,6,6a]-3:C[6]-4:N[6]-4:H-1:	C[6,6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6,6]C[6]N[6]H)	C[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6,6a]HH)(N[6]C[6]CH)(H)	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]O)	C[6,6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6,6]C[6]N[6]H){1|O<2>,2|C<4>,3|C<3>,6|H<1>}	C[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6,6a]HH)(N[6]C[6]CH)(H){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]O){1|N<4>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	117.2770	0.000	1	117.2770	0.000	1	117.2770	0.000	1	118.4803	3.309	3	120.1374	6.707	85	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[6,6]	C[6,6a]	3:3:4:	3:4:4:1:	3:3:4:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:	C[6,6,6a]-3:C[6]-4:C[6]-4:H-1:	C[6,6,6a]-3:C[6a]-3:C[6]-4:	C[6,6,6a](C[6,6a]C[6a]C[6])(C[6,6a]C[6a]O[6])(C[6,6]C[6]2H)	C[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(C[6]C[6]HH)	C[6,6,6a](C[6,6a]C[6a]C[6])(C[6,6a]C[6a]O[6])(C[6,6]C[6]2H){1|O<2>,2|C<4>,3|C<3>,5|H<1>}	C[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,2|H<1>,3|O<2>}	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(C[6]C[6]HH){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	120.2180	0.000	1	120.2180	0.000	1	120.4550	3.195	3	120.9317	3.039	4	120.1374	6.707	85	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[6,6]	C[6,6a]	3:3:4:	3:4:4:1:	3:3:4:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:	C[6,6,6a]-3:C[6]-4:C[6]-4:H-1:	C[6,6,6a]-3:C[6a]-3:C[6]-4:	C[6,6,6a](C[6,6a]C[6a]C[6])2(C[6,6]C[6]2H)	C[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(C[6]C[6]CH)	C[6,6,6a](C[6,6a]C[6a]C[6])2(C[6,6]C[6]2H){1|C<3>,1|O<1>,1|O<2>,4|H<1>,5|C<4>}	C[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<4>,3|C<3>,4|H<1>}	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(C[6]C[6]CH){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	118.7980	0.000	1	118.7980	0.000	1	120.4550	3.195	3	120.9317	3.039	4	120.1374	6.707	85	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[6,6]	C[6,6a]	3:3:4:	3:4:4:1:	3:3:4:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:	C[6,6,6a]-3:C[6]-4:C[6]-4:H-1:	C[6,6,6a]-3:C[6a]-3:C[6]-4:	C[6,6,6a](C[6,6a]C[6a]C[6])2(C[6,6]C[6]2H)	C[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6]HH)(C[6]N[6]HH)(H)	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6,6a](C[6,6a]C[6a]C[6])2(C[6,6]C[6]2H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,8|H<1>}	C[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6]HH)(C[6]N[6]HH)(H){2|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(C[6]C[6]HH){2|C<3>,2|C<4>,4|H<1>}	122.3490	0.000	1	122.3490	0.000	1	120.4550	3.195	3	120.9317	3.039	4	120.1374	6.707	85	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[6,6]	C[6,6a]	3:3:4:	3:4:4:1:	3:3:4:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:	C[6,6,6a]-3:C[6]-4:N[6]-4:H-1:	C[6,6,6a]-3:C[6a]-3:C[6]-4:	C[6,6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6,6]C[6]N[6]H)	C[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6,6a]HH)(N[6]C[6]CH)(H)	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6,6]C[6]N[6]H){1|O<2>,2|C<4>,3|C<3>,6|H<1>}	C[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6,6a]HH)(N[6]C[6]CH)(H){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,1|N<4>,1|O<2>,2|C<3>,3|H<1>}	122.3620	0.000	1	122.3620	0.000	1	122.3620	0.000	1	120.9317	3.039	4	120.1374	6.707	85	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[6,6]	C[6,6a]	3:3:4:	3:4:4:1:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:	C[6,6,6a]-3:C[6]-4:C[6]-4:H-1:	C[6,6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6,6a](C[6,6a]C[6,6]C[6a])(C[6,6a]C[6a]O[6])(C[6,6]C[6]2H)	C[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6,6]HH)(C[6]C[6]HH)(H)	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6,6]C[6,6]C[6]C)(C[6a]C[6a]H)	C[6,6,6a](C[6,6a]C[6,6]C[6a])(C[6,6a]C[6a]O[6])(C[6,6]C[6]2H){1|C<3>,1|O<2>,4|C<4>,5|H<1>}	C[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6,6]HH)(C[6]C[6]HH)(H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6,6]C[6,6]C[6]C)(C[6a]C[6a]H){1|C<3>,1|O<2>,4|C<4>,5|H<1>}	119.7390	0.000	1	119.7390	0.000	1	119.7390	0.000	1	119.7390	0.000	1	120.1374	6.707	85	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[6,6]	C[6,6a]	3:3:4:	3:4:4:4:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:	C[6,6,6a]-3:C[6]-4:C[6]-4:C-4:	C[6,6,6a]-3:C[6a]-3:N[6]-3:	C[6,6,6a](C[6,6a]C[6a]C[6])(C[6,6a]C[6a]N[6])(C[6,6]C[6]2C)	C[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6]HH)2(CH3)	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6,6a](C[6,6a]C[6a]C[6])(C[6,6a]C[6a]N[6])(C[6,6]C[6]2C){2|C<3>,3|C<4>,7|H<1>}	C[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6]HH)2(CH3){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|O<1>,1|O<2>,4|C<4>}	117.5190	0.000	1	117.5190	0.000	1	117.5190	0.000	1	117.5190	0.000	1	120.1374	6.707	85	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[6,6]	C[6,6a]	3:3:4:	3:4:4:4:	3:3:4:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:	C[6,6,6a]-3:C[6]-4:C[6]-4:C-4:	C[6,6,6a]-3:C[6a]-3:C[6]-4:	C[6,6,6a](C[6,6a]C[6a]C[6])(C[6,6a]C[6a]N[6])(C[6,6]C[6]2C)	C[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6]HH)2(CH3)	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6,6,6a](C[6,6a]C[6a]C[6])(C[6,6a]C[6a]N[6])(C[6,6]C[6]2C){2|C<3>,3|C<4>,7|H<1>}	C[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6]HH)2(CH3){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(C[6]C[6]CC){1|C<3>,1|N<3>,1|O<2>,2|H<1>,3|C<4>}	123.9200	0.000	1	123.9200	0.000	1	123.9200	0.000	1	123.9200	0.000	1	120.1374	6.707	85	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[6,6]	C[6,6a]	3:4:3:	3:4:2:1:	3:3:2:	C[6,6,6a]-3:C[6,6]-4:C[6,6a]-3:	C[6,6,6a]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6,6a]-3:C[6a]-3:O[6]-2:	C[6,6,6a](C[6,6,6a]C[6,6,6a]C[6,6a])(C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]O[6])	C[6,6](C[6,6,6a]C[6,6,6a]C[6,6a])(C[6,6]C[6,6]2H)(O[6]C[6,6a])(H)	C[6,6a](C[6,6,6a]C[6,6,6a]C[6,6])(C[6a]C[6a]H)(O[6]C[6,6])	C[6,6,6a](C[6,6,6a]C[6,6,6a]C[6,6a])(C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]O[6]){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6,6](C[6,6,6a]C[6,6,6a]C[6,6a])(C[6,6]C[6,6]2H)(O[6]C[6,6a])(H){1|O<2>,4|C<3>,5|C<4>}	C[6,6a](C[6,6,6a]C[6,6,6a]C[6,6])(C[6a]C[6a]H)(O[6]C[6,6]){1|H<1>,2|C<3>,2|O<2>,3|C<4>}	123.9200	0.000	1	123.9200	0.000	1	123.9200	0.000	1	123.9200	0.000	1	120.1374	6.707	85	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[6,6]	C[6,6a]	3:4:3:	4:3:3:1:	3:3:3:	C[6,6a]-3:C[6,6]-4:C[6,6a]-3:	C[6,6]-4:C[6,6,6a]-3:C[6]-3:H-1:	C[6,6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])	C[6,6](C[6,6]C[6,6,6a]C[6]H)(C[6,6,6a]C[6,6a]2)(C[6]C[6]C)(H)	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6,6a]C[6,6,6a]C[6a])(C[6a]C[6a]O)	C[6,6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6]){1|C<4>,1|H<1>,1|O<1>,2|O<2>,5|C<3>}	C[6,6](C[6,6]C[6,6,6a]C[6]H)(C[6,6,6a]C[6,6a]2)(C[6]C[6]C)(H){1|C<4>,1|O<2>,6|C<3>}	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6,6a]C[6,6,6a]C[6a])(C[6a]C[6a]O){1|C<4>,1|H<1>,1|O<2>,6|C<3>}	114.8115	1.334	2	114.8115	1.780	2	114.8115	1.780	2	118.5025	18.815	4	120.1374	6.707	85	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[6,6]	C[6,6a]	3:4:3:	4:3:3:1:	3:3:3:	C[6,6a]-3:C[6,6]-4:C[6,6a]-3:	C[6,6]-4:C[6,6,6a]-3:C[6]-3:H-1:	C[6,6,6a]-3:C[6a]-3:C[6]-3:	C[6,6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])	C[6,6](C[6,6]C[6,6,6a]C[6]H)(C[6,6,6a]C[6,6a]2)(C[6]C[6]C)(H)	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(C[6]C[6]O)	C[6,6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6]){1|C<4>,1|H<1>,1|O<1>,2|O<2>,5|C<3>}	C[6,6](C[6,6]C[6,6,6a]C[6]H)(C[6,6,6a]C[6,6a]2)(C[6]C[6]C)(H){1|C<4>,1|O<2>,6|C<3>}	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(C[6]C[6]O){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	122.1935	0.414	2	122.1935	0.171	2	122.1935	0.171	2	118.5025	18.815	4	120.1374	6.707	85	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[6,6]	C[6,6a]	3:4:3:	4:3:4:2:	3:3:3:	C[6,6a]-3:C[6,6]-4:C[6,6a]-3:	C[5,6]-4:C[6,6,6a]-3:C[6]-4:O-2:	C[6,6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6,6a](C[6,6a]N[5,6]C[6a])(C[6,6]C[5,6]C[6]O)(C[6,6a]C[6a]C[6])	C[6,6](C[5,6]C[5,5,6]C[5]H)(C[6,6,6a]C[6,6a]2)(C[6]C[6]HH)(OH)	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(N[5,6]C[5,5,6]C[5])(C[6a]C[6a]H)	C[6,6,6a](C[6,6a]N[5,6]C[6a])(C[6,6]C[5,6]C[6]O)(C[6,6a]C[6a]C[6]){2|C<3>,3|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,5,6]C[5]H)(C[6,6,6a]C[6,6a]2)(C[6]C[6]HH)(OH){1|C<4>,2|N<3>,3|C<3>,5|H<1>}	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(N[5,6]C[5,5,6]C[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|H<1>,4|C<4>}	118.1890	0.055	2	118.0190	0.088	3	118.0190	0.088	3	118.0190	0.088	3	120.1374	6.707	85	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[6,6]	C[6,6a]	3:4:3:	4:3:4:2:	3:3:3:	C[6,6a]-3:C[6,6]-4:C[6,6a]-3:	C[5,6]-4:C[6,6,6a]-3:C[6]-4:O-2:	C[6,6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6,6a](C[6,6a]N[5,6]C[6a])(C[6,6]C[5,6]C[6]O)(C[6,6a]C[6a]C[6])	C[6,6](C[5,6]C[5,5,6]C[5]H)(C[6,6,6a]C[6,6a]2)(C[6]C[6]HH)(OH)	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(N[5,6]C[5,5,6]C[5])(C[6a]C[6a]H)	C[6,6,6a](C[6,6a]N[5,6]C[6a])(C[6,6]C[5,6]C[6]O)(C[6,6a]C[6a]C[6]){2|C<4>,4|C<3>,6|H<1>}	C[6,6](C[5,6]C[5,5,6]C[5]H)(C[6,6,6a]C[6,6a]2)(C[6]C[6]HH)(OH){1|N<3>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(N[5,6]C[5,5,6]C[5])(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<1>,2|O<2>,5|C<4>}	117.6790	0.000	1	118.0190	0.088	3	118.0190	0.088	3	118.0190	0.088	3	120.1374	6.707	85	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[6,6]	C[6,6a]	3:4:3:	4:3:4:2:	3:3:4:	C[6,6a]-3:C[6,6]-4:C[6,6a]-3:	C[5,6]-4:C[6,6,6a]-3:C[6]-4:O-2:	C[6,6,6a]-3:C[6a]-3:C[6]-4:	C[6,6,6a](C[6,6a]N[5,6]C[6a])(C[6,6]C[5,6]C[6]O)(C[6,6a]C[6a]C[6])	C[6,6](C[5,6]C[5,5,6]C[5]H)(C[6,6,6a]C[6,6a]2)(C[6]C[6]HH)(OH)	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]2)(C[6]C[6]HH)	C[6,6,6a](C[6,6a]N[5,6]C[6a])(C[6,6]C[5,6]C[6]O)(C[6,6a]C[6a]C[6]){2|C<4>,4|C<3>,6|H<1>}	C[6,6](C[5,6]C[5,5,6]C[5]H)(C[6,6,6a]C[6,6a]2)(C[6]C[6]HH)(OH){1|N<3>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]2)(C[6]C[6]HH){1|N<3>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	122.2450	0.000	1	122.2450	0.000	1	122.6717	0.398	3	122.6717	0.398	3	120.1374	6.707	85	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[6,6]	C[6,6a]	3:4:3:	4:3:4:2:	3:3:4:	C[6,6a]-3:C[6,6]-4:C[6,6a]-3:	C[5,6]-4:C[6,6,6a]-3:C[6]-4:O-2:	C[6,6,6a]-3:C[6a]-3:C[6]-4:	C[6,6,6a](C[6,6a]N[5,6]C[6a])(C[6,6]C[5,6]C[6]O)(C[6,6a]C[6a]C[6])	C[6,6](C[5,6]C[5,5,6]C[5]H)(C[6,6,6a]C[6,6a]2)(C[6]C[6]HH)(OH)	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6,6a](C[6,6a]N[5,6]C[6a])(C[6,6]C[5,6]C[6]O)(C[6,6a]C[6a]C[6]){2|C<3>,3|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,5,6]C[5]H)(C[6,6,6a]C[6,6a]2)(C[6]C[6]HH)(OH){1|C<4>,2|N<3>,3|C<3>,5|H<1>}	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|N<3>,1|O<2>,2|C<4>,3|H<1>}	122.8850	0.723	2	122.8850	0.522	2	122.6717	0.398	3	122.6717	0.398	3	120.1374	6.707	85	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:3:3:2:	3:3:2:	C[6,6]-4:C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6,6,6a]-3:C[6]-3:O-2:	C[6,6,6a]-3:C[6a]-3:O[6]-2:	C[6,6,6a](C[6,6]C[6,6a]C[6]O)(C[6,6a]C[3,6]C[6a])(C[6,6a]C[6a]O[6])	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6,6a]C[6,6a]2)(C[6]C[3,6]O)(OC)	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(O[6]C[6,6a])	C[6,6,6a](C[6,6]C[6,6a]C[6]O)(C[6,6a]C[3,6]C[6a])(C[6,6a]C[6a]O[6]){1|C<4>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6,6a]C[6,6a]2)(C[6]C[3,6]O)(OC){1|C<4>,1|H<1>,2|O<2>,5|C<3>}	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	121.0835	0.602	2	121.0835	0.362	2	122.0510	0.612	7	122.0510	0.612	7	120.1374	6.707	85	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:3:3:2:	3:3:2:	C[6,6]-4:C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6,6,6a]-3:C[6]-3:O-2:	C[6,6,6a]-3:C[6a]-3:O[6]-2:	C[6,6,6a](C[6,6]C[6,6a]C[6]O)(C[6,6a]C[6a]C[6])(C[6,6a]C[6a]O[6])	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6,6a]C[6,6a]2)(C[6]C[6]O)(OC)	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(O[6]C[6,6a])	C[6,6,6a](C[6,6]C[6,6a]C[6]O)(C[6,6a]C[6a]C[6])(C[6,6a]C[6a]O[6]){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6,6a]C[6,6a]2)(C[6]C[6]O)(OC){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	122.4880	0.000	1	122.4380	0.172	5	122.0510	0.612	7	122.0510	0.612	7	120.1374	6.707	85	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:3:3:2:	3:3:2:	C[6,6]-4:C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6,6,6a]-3:C[6]-3:O-2:	C[6,6,6a]-3:C[6a]-3:O[6]-2:	C[6,6,6a](C[6,6]C[6,6a]C[6]O)(C[6,6a]C[6a]C[6])(C[6,6a]C[6a]O[6])	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6,6a]C[6,6a]2)(C[6]C[6]O)(OC)	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(O[6]C[6,6a])	C[6,6,6a](C[6,6]C[6,6a]C[6]O)(C[6,6a]C[6a]C[6])(C[6,6a]C[6a]O[6]){1|O<1>,3|H<1>,4|C<3>}	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6,6a]C[6,6a]2)(C[6]C[6]O)(OC){1|C<4>,1|O<2>,6|C<3>}	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,1|O<2>,5|C<3>}	123.1150	0.000	1	122.4380	0.172	5	122.0510	0.612	7	122.0510	0.612	7	120.1374	6.707	85	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:3:3:2:	3:3:2:	C[6,6]-4:C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6,6,6a]-3:C[6]-3:O-2:	C[6,6,6a]-3:C[6a]-3:O[6]-2:	C[6,6,6a](C[6,6]C[6,6a]C[6]O)(C[6,6a]C[6a]C[6])(C[6,6a]C[6a]O[6])	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6,6a]C[6,6a]2)(C[6]C[6]O)(OC)	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(O[6]C[6,6a])	C[6,6,6a](C[6,6]C[6,6a]C[6]O)(C[6,6a]C[6a]C[6])(C[6,6a]C[6a]O[6]){1|O<1>,3|H<1>,4|C<3>}	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6,6a]C[6,6a]2)(C[6]C[6]O)(OC){1|H<1>,1|O<2>,6|C<3>}	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,1|O<2>,5|C<3>}	122.1815	0.223	2	122.4380	0.172	5	122.0510	0.612	7	122.0510	0.612	7	120.1374	6.707	85	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:3:3:2:	3:3:2:	C[6,6]-4:C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6,6,6a]-3:C[6]-3:O-2:	C[6,6,6a]-3:C[6a]-3:O[6]-2:	C[6,6,6a](C[6,6]C[6,6a]C[6]O)(C[6,6a]C[6a]C[6])(C[6,6a]C[6a]O[6])	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6,6a]C[6,6a]2)(C[6]C[6]O)(OC)	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(O[6]C[6,6a])	C[6,6,6a](C[6,6]C[6,6a]C[6]O)(C[6,6a]C[6a]C[6])(C[6,6a]C[6a]O[6]){1|O<1>,3|H<1>,4|C<3>}	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6,6a]C[6,6a]2)(C[6]C[6]O)(OC){1|O<2>,7|C<3>}	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,1|O<2>,5|C<3>}	122.2240	0.000	1	122.4380	0.172	5	122.0510	0.612	7	122.0510	0.612	7	120.1374	6.707	85	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:3:3:2:	3:3:3:	C[6,6]-4:C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6,6,6a]-3:C[6]-3:O-2:	C[6,6,6a]-3:C[6a]-3:C[6]-3:	C[6,6,6a](C[6,6]C[6,6a]C[6]O)(C[6,6a]C[6a]C[6])(C[6,6a]C[6a]O[6])	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6,6a]C[6,6a]2)(C[6]C[6]O)(OC)	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6,6a](C[6,6]C[6,6a]C[6]O)(C[6,6a]C[6a]C[6])(C[6,6a]C[6a]O[6]){1|O<1>,3|H<1>,4|C<3>}	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6,6a]C[6,6a]2)(C[6]C[6]O)(OC){1|C<4>,1|O<2>,6|C<3>}	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,1|H<1>,2|O<2>,3|C<3>}	118.0750	0.000	1	118.8310	0.291	4	118.8310	0.291	4	118.8310	0.291	4	120.1374	6.707	85	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:3:3:2:	3:3:3:	C[6,6]-4:C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6,6,6a]-3:C[6]-3:O-2:	C[6,6,6a]-3:C[6a]-3:C[6]-3:	C[6,6,6a](C[6,6]C[6,6a]C[6]O)(C[6,6a]C[6a]C[6])(C[6,6a]C[6a]O[6])	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6,6a]C[6,6a]2)(C[6]C[6]O)(OC)	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6,6a](C[6,6]C[6,6a]C[6]O)(C[6,6a]C[6a]C[6])(C[6,6a]C[6a]O[6]){1|O<1>,3|H<1>,4|C<3>}	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6,6a]C[6,6a]2)(C[6]C[6]O)(OC){1|H<1>,1|O<2>,6|C<3>}	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(C[6]C[6]H){2|H<1>,2|O<2>,3|C<3>}	119.0940	0.331	2	118.8310	0.291	4	118.8310	0.291	4	118.8310	0.291	4	120.1374	6.707	85	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:3:3:2:	3:3:3:	C[6,6]-4:C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6,6,6a]-3:C[6]-3:O-2:	C[6,6,6a]-3:C[6a]-3:C[6]-3:	C[6,6,6a](C[6,6]C[6,6a]C[6]O)(C[6,6a]C[6a]C[6])(C[6,6a]C[6a]O[6])	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6,6a]C[6,6a]2)(C[6]C[6]O)(OC)	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6,6a](C[6,6]C[6,6a]C[6]O)(C[6,6a]C[6a]C[6])(C[6,6a]C[6a]O[6]){1|O<1>,3|H<1>,4|C<3>}	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6,6a]C[6,6a]2)(C[6]C[6]O)(OC){1|O<2>,7|C<3>}	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(C[6]C[6]H){1|H<1>,2|O<2>,4|C<3>}	119.0610	0.000	1	118.8310	0.291	4	118.8310	0.291	4	118.8310	0.291	4	120.1374	6.707	85	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:3:3:2:	3:3:4:	C[6,6]-4:C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6,6,6a]-3:C[6]-3:O-2:	C[6,6,6a]-3:C[6a]-3:C[6]-4:	C[6,6,6a](C[6,6]C[6,6a]C[6]O)(C[6,6a]C[6a]C[6])(C[6,6a]C[6a]O[6])	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6,6a]C[6,6a]2)(C[6]C[6]O)(OC)	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6,6a](C[6,6]C[6,6a]C[6]O)(C[6,6a]C[6a]C[6])(C[6,6a]C[6a]O[6]){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6,6a]C[6,6a]2)(C[6]C[6]O)(OC){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(C[6]C[6]HH){2|O<2>,3|C<3>,3|H<1>}	118.2520	0.000	1	118.2520	0.000	1	118.2520	0.000	1	118.2520	0.000	1	120.1374	6.707	85	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:3:3:2:	3:4:3:	C[6,6]-4:C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6,6,6a]-3:C[6]-3:O-2:	C[6,6,6a]-3:C[3,6]-4:C[6a]-3:	C[6,6,6a](C[6,6]C[6,6a]C[6]O)(C[6,6a]C[3,6]C[6a])(C[6,6a]C[6a]O[6])	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6,6a]C[6,6a]2)(C[6]C[3,6]O)(OC)	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[3,6]C[3,6]O[3]H)(C[6a]C[6a]H)	C[6,6,6a](C[6,6]C[6,6a]C[6]O)(C[6,6a]C[3,6]C[6a])(C[6,6a]C[6a]O[6]){1|C<4>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6,6a]C[6,6a]2)(C[6]C[3,6]O)(OC){1|C<4>,1|H<1>,2|O<2>,5|C<3>}	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[3,6]C[3,6]O[3]H)(C[6a]C[6a]H){2|H<1>,2|O<2>,3|C<3>}	121.3810	0.457	2	121.3810	0.209	2	121.3810	0.209	2	121.3810	0.209	2	120.1374	6.707	85	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:3:4:1:	3:3:4:	C[6,6]-4:C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6,6,6a]-3:C[6]-4:H-1:	C[6,6,6a]-3:C[6a]-3:C[6]-4:	C[6,6,6a](C[6,6]C[6,6a]C[6]H)(C[6,6a]C[6,6]C[6a])(C[6,6a]C[6a]C[6])	C[6,6](C[6,6a]C[6,6,6a]C[6a])(C[6,6,6a]C[6,6a]2)(C[6]C[6]HH)(H)	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(C[6]C[6]HH)	C[6,6,6a](C[6,6]C[6,6a]C[6]H)(C[6,6a]C[6,6]C[6a])(C[6,6a]C[6a]C[6]){1|O<2>,2|C<4>,3|C<3>,6|H<1>}	C[6,6](C[6,6a]C[6,6,6a]C[6a])(C[6,6,6a]C[6,6a]2)(C[6]C[6]HH)(H){2|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(C[6]C[6]HH){2|C<3>,2|C<4>,4|H<1>}	115.8687	0.303	3	115.8687	0.092	3	115.8687	0.092	3	115.8687	0.092	3	120.1374	6.707	85	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:3:4:1:	3:4:3:	C[6,6]-4:C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6,6,6a]-3:C[6]-4:H-1:	C[6,6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6,6a](C[6,6]C[6,6a]C[6]H)(C[6,6a]C[6,6]C[6a])(C[6,6a]C[6a]C[6])	C[6,6](C[6,6a]C[6,6,6a]C[6a])(C[6,6,6a]C[6,6a]2)(C[6]C[6]HH)(H)	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6,6]C[6,6,6a]C[6]H)(C[6a]C[6a]H)	C[6,6,6a](C[6,6]C[6,6a]C[6]H)(C[6,6a]C[6,6]C[6a])(C[6,6a]C[6a]C[6]){1|O<2>,2|C<4>,3|C<3>,6|H<1>}	C[6,6](C[6,6a]C[6,6,6a]C[6a])(C[6,6,6a]C[6,6a]2)(C[6]C[6]HH)(H){2|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6,6]C[6,6,6a]C[6]H)(C[6a]C[6a]H){3|C<3>,3|C<4>,4|H<1>}	123.3110	0.210	3	123.3110	0.044	3	123.3110	0.044	3	123.3110	0.044	3	120.1374	6.707	85	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[6,6]	C[6,6a]	4:3:3:	4:3:2:1:	3:3:2:	C[6,6]-4:C[6,6a]-3:C[6,6a]-3:	C[5,6]-4:C[6,6,6a]-3:O[6]-2:H-1:	C[6,6,6a]-3:C[6a]-3:O[6]-2:	C[6,6,6a](C[6,6]C[5,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6,6a]C[6a]O[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6,6a]C[6,6a]2)(O[6]C[6])(H)	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6,6a](C[6,6]C[5,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6,6a]C[6a]O[6]){1|C<3>,1|O<2>,2|H<1>,5|C<4>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6,6a]C[6,6a]2)(O[6]C[6])(H){1|H<1>,2|C<3>,2|O<2>,6|C<4>}	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	116.1950	0.000	1	116.1950	0.000	1	116.1950	0.000	1	119.0408	4.969	4	120.1374	6.707	85	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[6,6]	C[6,6a]	4:3:3:	4:3:2:1:	3:3:2:	C[6,6]-4:C[6,6a]-3:C[6,6a]-3:	C[6,6]-4:C[6,6,6a]-3:O[6]-2:H-1:	C[6,6,6a]-3:C[6a]-3:O[6]-2:	C[6,6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6,6a]C[6a]O[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6,6a]C[6,6a]2)(O[6]C[6])(H)	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(O[6]C[6,6])	C[6,6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6,6a]C[6a]O[6]){2|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6,6a]C[6,6a]2)(O[6]C[6])(H){1|O<1>,2|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<3>,2|H<1>,2|O<2>,3|C<4>}	121.6020	0.000	1	120.2315	3.757	2	119.9893	2.054	3	119.0408	4.969	4	120.1374	6.707	85	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[6,6]	C[6,6a]	4:3:3:	4:3:2:1:	3:3:2:	C[6,6]-4:C[6,6a]-3:C[6,6a]-3:	C[6,6]-4:C[6,6,6a]-3:O[6]-2:H-1:	C[6,6,6a]-3:C[6a]-3:O[6]-2:	C[6,6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6,6a]C[6a]O[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6,6a]C[6,6a]2)(O[6]C[6])(H)	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(O[6]C[6,6])	C[6,6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6,6a]C[6a]O[6]){2|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6,6a]C[6,6a]2)(O[6]C[6])(H){2|C<3>,2|O<2>,3|C<4>,4|H<1>}	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<3>,2|H<1>,2|O<2>,3|C<4>}	118.8610	0.000	1	120.2315	3.757	2	119.9893	2.054	3	119.0408	4.969	4	120.1374	6.707	85	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[6,6]	C[6,6a]	4:3:3:	4:3:2:1:	3:3:2:	C[6,6]-4:C[6,6a]-3:C[6,6a]-3:	C[6,6]-4:C[6,6,6a]-3:O[6]-2:H-1:	C[6,6,6a]-3:C[6a]-3:O[6]-2:	C[6,6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6,6a]C[6a]O[6])	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6,6a]C[6,6a]2)(O[6]C[6])(H)	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(O[6]C[6,6])	C[6,6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6,6a]C[6a]O[6]){1|C<3>,3|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6,6a]C[6,6a]2)(O[6]C[6])(H){2|C<3>,2|O<2>,3|H<1>,4|C<4>}	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<3>,1|H<1>,3|C<4>,3|O<2>}	119.5050	0.000	1	119.5050	0.000	1	119.9893	2.054	3	119.0408	4.969	4	120.1374	6.707	85	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[6,6]	C[6,6a]	4:3:3:	4:3:2:1:	3:3:4:	C[6,6]-4:C[6,6a]-3:C[6,6a]-3:	C[6,6]-4:C[6,6,6a]-3:O[6]-2:H-1:	C[6,6,6a]-3:C[6a]-3:C[6]-4:	C[6,6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6,6a]C[6a]O[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6,6a]C[6,6a]2)(O[6]C[6])(H)	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6,6a]C[6a]O[6]){2|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6,6a]C[6,6a]2)(O[6]C[6])(H){1|O<1>,2|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	119.8610	0.000	1	120.4770	0.759	2	120.4393	0.384	3	120.4393	0.384	3	120.1374	6.707	85	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[6,6]	C[6,6a]	4:3:3:	4:3:2:1:	3:3:4:	C[6,6]-4:C[6,6a]-3:C[6,6a]-3:	C[6,6]-4:C[6,6,6a]-3:O[6]-2:H-1:	C[6,6,6a]-3:C[6a]-3:C[6]-4:	C[6,6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6,6a]C[6a]O[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6,6a]C[6,6a]2)(O[6]C[6])(H)	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6,6a]C[6a]O[6]){2|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6,6a]C[6,6a]2)(O[6]C[6])(H){2|C<3>,2|O<2>,3|C<4>,4|H<1>}	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	121.0930	0.000	1	120.4770	0.759	2	120.4393	0.384	3	120.4393	0.384	3	120.1374	6.707	85	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[6,6]	C[6,6a]	4:3:3:	4:3:2:1:	3:3:4:	C[6,6]-4:C[6,6a]-3:C[6,6a]-3:	C[6,6]-4:C[6,6,6a]-3:O[6]-2:H-1:	C[6,6,6a]-3:C[6a]-3:C[6]-4:	C[6,6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6,6a]C[6a]O[6])	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6,6a]C[6,6a]2)(O[6]C[6])(H)	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]C)(C[6]C[6]CH)	C[6,6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6,6a]C[6a]O[6]){1|C<3>,3|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6,6a]C[6,6a]2)(O[6]C[6])(H){2|C<3>,2|O<2>,3|H<1>,4|C<4>}	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]C)(C[6]C[6]CH){1|C<3>,2|C<4>,2|H<1>,3|O<2>}	120.3640	0.000	1	120.3640	0.000	1	120.4393	0.384	3	120.4393	0.384	3	120.1374	6.707	85	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[6,6]	C[6,6a]	4:3:3:	4:3:2:1:	3:4:3:	C[6,6]-4:C[6,6a]-3:C[6,6a]-3:	C[5,6]-4:C[6,6,6a]-3:O[6]-2:H-1:	C[6,6,6a]-3:C[6]-4:C[6a]-3:	C[6,6,6a](C[6,6]C[5,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6,6a]C[6a]O[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6,6a]C[6,6a]2)(O[6]C[6])(H)	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6]C[5,6]CC)(C[6a]C[6a]O)	C[6,6,6a](C[6,6]C[5,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6,6a]C[6a]O[6]){1|C<3>,1|O<2>,2|H<1>,5|C<4>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6,6a]C[6,6a]2)(O[6]C[6])(H){1|H<1>,2|C<3>,2|O<2>,6|C<4>}	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6]C[5,6]CC)(C[6a]C[6a]O){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	123.0150	0.000	1	123.0150	0.000	1	123.0150	0.000	1	123.0150	0.000	1	120.1374	6.707	85	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[6,6]	C[6,6a]	4:3:3:	4:3:4:1:	3:3:2:	C[6,6]-4:C[6,6a]-3:C[6,6a]-3:	C[6,6]-4:C[6,6,6a]-3:C[6]-4:H-1:	C[6,6,6a]-3:C[6a]-3:O[6]-2:	C[6,6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6,6a]C[6,6a]2)(C[6]C[6]HH)(H)	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]C)(O[6]C[6,6])	C[6,6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])2{2|C<3>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6,6a]C[6,6a]2)(C[6]C[6]HH)(H){1|H<1>,3|C<3>,3|O<2>,4|C<4>}	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]C)(O[6]C[6,6]){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	119.4440	0.000	1	119.4440	0.000	1	121.0300	5.031	2	121.0300	5.031	2	120.1374	6.707	85	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6,6a]	C[6,6]	C[6,6a]	4:3:3:	4:3:4:1:	3:3:2:	C[6,6]-4:C[6,6a]-3:C[6,6a]-3:	C[6,6]-4:C[6,6,6a]-3:C[6]-4:H-1:	C[6,6,6a]-3:C[6a]-3:O[6]-2:	C[6,6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6,6a]C[6,6a]2)(C[6]C[6]HH)(H)	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]C)(O[6]C[6])	C[6,6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])2{2|C<3>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6,6a]C[6,6a]2)(C[6]C[6]HH)(H){1|H<1>,3|C<3>,3|O<2>,4|C<4>}	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]C)(O[6]C[6]){1|C<3>,1|H<1>,2|O<2>,4|C<4>}	122.6160	0.000	1	122.6160	0.000	1	121.0300	5.031	2	121.0300	5.031	2	120.1374	6.707	85	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[3x6]	C[6,6,6a]	3:4:3:	3:4:2:2:	3:3:3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6a]-3:C[3x6]-4:O[6]-2:O[6]-2:	C[6,6a]-3:C[6,6a]-3:C[6,6,6a]-3:	C[6,6a](C[6,6,6a]C[6,6,6a]C[6,6a])(C[3x6]C[3x6]O[6]2)(C[6a]C[6a]H)	C[3x6](C[6,6a]C[6,6,6a]C[6a])(C[3x6]C[6,6a]O[6]2)(O[6]C[6])2	C[6,6,6a](C[6,6a]C[3x6]C[6a])2(C[6,6,6a]C[6,6a]2)	C[6,6a](C[6,6,6a]C[6,6,6a]C[6,6a])(C[3x6]C[3x6]O[6]2)(C[6a]C[6a]H){2|O<2>,3|C<4>,4|C<3>}	C[3x6](C[6,6a]C[6,6,6a]C[6a])(C[3x6]C[6,6a]O[6]2)(O[6]C[6])2{2|C<4>,4|C<3>,5|H<1>}	C[6,6,6a](C[6,6a]C[3x6]C[6a])2(C[6,6,6a]C[6,6a]2){2|C<4>,2|H<1>,3|C<3>,4|O<2>}	119.7698	0.212	4	119.7698	0.045	4	119.7698	0.045	4	119.7698	0.045	4	119.7698	0.045	4	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[3x6]	C[6,6a,6a]	3:4:3:	3:3:4:2:	3:3:3:	C[6,6a,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[3x6]-4:O[6]-2:	C[6,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[3x6]C[6,6a]C[3x6]O[6])(C[6a]C[6a]O)	C[3x6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[3x6]C[6]O[6]2)(O[6]C[6])	C[6,6a,6a](C[6,6a]C[3x6]C[6a])(C[6,6a]C[6a]O[6])(C[6a,6a]C[6a]2)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[3x6]C[6,6a]C[3x6]O[6])(C[6a]C[6a]O){1|C<4>,1|H<1>,2|O<2>,6|C<3>}	C[3x6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[3x6]C[6]O[6]2)(O[6]C[6]){1|C<4>,1|O<2>,4|H<1>,6|C<3>}	C[6,6a,6a](C[6,6a]C[3x6]C[6a])(C[6,6a]C[6a]O[6])(C[6a,6a]C[6a]2){1|C<4>,2|O<2>,3|C<3>,3|H<1>}	118.1550	0.000	1	118.1550	0.000	1	118.1550	0.000	1	118.1550	0.000	1	118.1550	0.000	1	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[3x6]	C[6,6a]	3:4:3:	3:4:2:2:	3:3:3:	C[6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6a]-3:C[3x6]-4:O[6]-2:O[6]-2:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[3x6]C[3x6]O[6]2)(C[6a]C[6a]H)	C[3x6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6a]O[6]2)(O[6]C[6])2	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[3x6]C[3x6]O[6]2)(C[6a]C[6a]H){2|C<4>,2|H<1>,2|O<2>,3|C<3>}	C[3x6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6a]O[6]2)(O[6]C[6])2{2|C<4>,4|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,2|O<2>,4|C<3>}	120.4455	0.009	2	120.4455	0.000	2	120.4455	0.000	2	120.4455	0.000	2	119.3092	1.717	65	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[3x6]	C[6,6a]	3:4:3:	3:4:4:2:	3:3:3:	C[6,6a]-3:C[3x6]-4:C[6a]-3:	C[6,6a]-3:C[3x6]-4:C[3x6]-4:O[6]-2:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[3x6]C[3x6]2O[6])(C[6a]C[6a]H)	C[3x6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]2H)2(O[6]C[6,6a])	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[3x6]C[3x6]2O[6])(C[6a]C[6a]H){3|C<3>,4|C<4>,4|H<1>}	C[3x6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]2H)2(O[6]C[6,6a]){2|C<4>,4|C<3>,9|H<1>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	116.4920	0.000	1	116.4920	0.000	1	116.4920	0.000	1	116.4920	0.000	1	119.3092	1.717	65	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[3x6]	C[6,6a]	4:3:3:	3:3:3:1:	3:3:3:	C[3x6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[3x6]-3:N[6,6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[3x6]N[3x6]N[6,6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[3x6](C[6,6a]C[6,6a]C[6a])(N[3x6]C[6,6a]C[6,6])(N[6,6]C[6,6a]C[6])(H)	C[6,6a](C[6,6a]C[3x6]C[6a])(C[6a]C[6a]H)(N[6]C[6,6]H)	C[6,6a](C[3x6]N[3x6]N[6,6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	C[3x6](C[6,6a]C[6,6a]C[6a])(N[3x6]C[6,6a]C[6,6])(N[6,6]C[6,6a]C[6])(H){2|N<3>,3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[3x6]C[6a])(C[6a]C[6a]H)(N[6]C[6,6]H){2|C<3>,2|N<3>,4|H<1>}	121.3195	0.199	2	121.3195	0.039	2	121.3195	0.039	2	121.3195	0.039	2	119.3092	1.717	65	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[3x6]	C[6,6a]	4:3:3:	3:3:3:2:	3:3:2:	C[3x6]-4:C[6a,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6,6,6a]-3:O[6,6]-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[3x6]C[6,6,6a]C[6,6a]O[6,6])(C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])	C[3x6](C[6,6a]C[6a,6a]C[6,6a])2(C[6,6,6a]C[6,6a]2)(O[6,6]C[6,6])	C[6,6a](C[6,6a]C[6a,6a]C[3x6])(C[6a]C[6a]H)(O[6]C[6,6a])	C[6,6a](C[3x6]C[6,6,6a]C[6,6a]O[6,6])(C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6]){1|C<4>,2|H<1>,7|C<3>}	C[3x6](C[6,6a]C[6a,6a]C[6,6a])2(C[6,6,6a]C[6,6a]2)(O[6,6]C[6,6]){1|C<4>,1|N<3>,2|O<2>,8|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[3x6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,1|O<2>,5|C<3>}	119.4140	0.000	1	119.4140	0.000	1	119.4140	0.000	1	119.4140	0.000	1	119.3092	1.717	65	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[3x6]	C[6,6a]	4:3:3:	3:3:3:2:	3:3:3:	C[3x6]-4:C[6a,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6,6,6a]-3:O[6,6]-2:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[3x6]C[6,6,6a]C[6,6a]O[6,6])(C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]N[6])	C[3x6](C[6,6a]C[6a,6a]C[6,6a])2(C[6,6,6a]C[6,6a]2)(O[6,6]C[6,6])	C[6,6a](C[6,6a]C[6a,6a]C[3x6])(C[6a]C[6a]H)(N[6]C[6,6]C)	C[6,6a](C[3x6]C[6,6,6a]C[6,6a]O[6,6])(C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]N[6]){2|C<4>,2|H<1>,7|C<3>}	C[3x6](C[6,6a]C[6a,6a]C[6,6a])2(C[6,6,6a]C[6,6a]2)(O[6,6]C[6,6]){1|C<4>,1|N<3>,2|O<2>,8|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[3x6])(C[6a]C[6a]H)(N[6]C[6,6]C){1|C<4>,1|H<1>,2|O<2>,4|C<3>}	118.5420	0.000	1	118.5420	0.000	1	118.5420	0.000	1	118.5420	0.000	1	119.3092	1.717	65	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[3x6]	C[6,6a]	4:3:3:	3:3:3:4:	3:3:3:	C[3x6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6,6a]-3:C[3x6]-4:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[3x6]C[6,6a]2C[3x6])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)	C[3x6](C[6,6a]C[6,6a]C[6a])3(C[3x6]C[6,6a]3)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6a](C[3x6]C[6,6a]2C[3x6])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H){1|Br<1>,1|H<1>,9|C<3>}	C[3x6](C[6,6a]C[6,6a]C[6a])3(C[3x6]C[6,6a]3){12|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,3|H<1>,5|C<3>}	118.3503	0.901	12	118.3503	0.813	12	118.3503	0.813	12	118.3503	0.813	12	119.3092	1.717	65	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[3x6]	C[6,6a]	4:3:3:	3:3:3:5:	3:3:4:	C[3x6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6,6a]-3:P[3x6]-5:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[3x6]C[6,6a]2P[3x6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[3x6](C[6,6a]C[6,6a]C[6a])3(P[3x6]O[6]3H)	C[6,6a](C[6,6a]C[3x6]C[6a])(C[6a]C[6a]H)(C[6]O[6]HH)	C[6,6a](C[3x6]C[6,6a]2P[3x6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,3|O<2>,4|H<1>,5|C<3>}	C[3x6](C[6,6a]C[6,6a]C[6a])3(P[3x6]O[6]3H){3|C<4>,3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[3x6]C[6a])(C[6a]C[6a]H)(C[6]O[6]HH){1|P<5>,2|H<1>,3|C<3>}	118.8293	0.516	3	118.8293	0.266	3	118.8293	0.266	3	118.8293	0.266	3	119.3092	1.717	65	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[3x6]	C[6,6a]	4:3:3:	3:3:4:2:	3:3:3:	C[3x6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[3x6]-4:O[6]-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[3x6]C[6,6a]C[3x6]O[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[3x6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[3x6]C[6]O[6]2)(O[6]C[6])	C[6,6a](C[6,6a]C[3x6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[3x6]C[6,6a]C[3x6]O[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,2|O<2>,3|H<1>,4|C<3>}	C[3x6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[3x6]C[6]O[6]2)(O[6]C[6]){1|C<4>,1|O<2>,4|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[3x6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	119.6000	0.000	1	119.6000	0.000	1	119.6000	0.000	1	119.6000	0.000	1	119.3092	1.717	65	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[3x6]	C[6,6a]	4:3:3:	3:3:4:3:	3:4:3:	C[3x6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[3x6]-3:C[6]-4:C[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[3x6]C[3x6]C[6]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	C[3x6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6,6a](C[6,6a]C[3x6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6,6a](C[3x6]C[3x6]C[6]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|O<2>,2|C<4>,3|C<3>,6|H<1>}	C[3x6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,1|N<3>,2|O<2>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[3x6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<2>,2|H<1>,3|C<3>}	119.6010	0.000	1	119.6010	0.000	1	119.6010	0.000	1	119.6010	0.000	1	119.3092	1.717	65	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[3x6]	C[6,6a]	4:3:3:	3:4:2:2:	3:3:2:	C[3x6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[3x6]-4:O[6]-2:O[6]-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[3x6]C[3x6]O[6]2)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[3x6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]C[6]H)(O[6]C[6,6a])2	C[6,6a](C[6,6a]C[3x6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[3x6]C[3x6]O[6]2)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|H<1>,3|C<3>,3|C<4>}	C[3x6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]C[6]H)(O[6]C[6,6a])2{2|O<2>,3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[3x6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,3|H<1>,3|O<2>}	119.3690	0.000	1	119.3690	0.000	1	119.3690	0.000	1	119.3690	0.000	1	119.3092	1.717	65	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[3x6]	C[6,6a]	4:3:3:	3:4:2:4:	3:3:3:	C[3x6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:O[6,6]-2:C[6]-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[3x6]C[6,6]O[6,6]C[6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[3x6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]O)(O[6,6]C[6,6])(C[6]C[6]HH)	C[6,6a](C[6,6a]C[3x6]C[6a])(C[6a]C[6a]H)(N[6]C[6,6]H)	C[6,6a](C[3x6]C[6,6]O[6,6]C[6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|O<2>,2|C<4>,3|C<3>,5|H<1>}	C[3x6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]O)(O[6,6]C[6,6])(C[6]C[6]HH){1|C<4>,1|N<3>,4|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[3x6]C[6a])(C[6a]C[6a]H)(N[6]C[6,6]H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	119.4690	0.000	1	119.4690	0.000	1	119.4690	0.000	1	119.4690	0.000	1	119.3092	1.717	65	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[3x6]	C[6,6a]	4:3:3:	3:4:3:3:	3:3:3:	C[3x6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[3x6]-4:C[6]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[3x6]C[3x6]C[6]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]C)	C[3x6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]C[6]H)(C[6]C[6]O)(C[6]O[6]O)	C[6,6a](C[6,6a]C[3x6]C[6a])(C[6]C[6,6]O)(C[6a]C[6a]O)	C[6,6a](C[3x6]C[3x6]C[6]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]C){1|H<1>,2|C<3>,2|C<4>,3|O<1>,3|O<2>}	C[3x6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]C[6]H)(C[6]C[6]O)(C[6]O[6]O){1|I<1>,2|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[3x6]C[6a])(C[6]C[6,6]O)(C[6a]C[6a]O){1|H<1>,3|C<4>,4|C<3>}	118.8030	0.000	1	118.8030	0.000	1	118.8030	0.000	1	118.8030	0.000	1	119.3092	1.717	65	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[3x6]	C[6,6a]	4:3:3:	3:4:3:3:	3:3:4:	C[3x6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:N[6,6]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[3x6]C[6,6]N[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[3x6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(N[6,6]C[6]2)(C[6]C[6]H)	C[6,6a](C[6,6a]C[3x6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[3x6]C[6,6]N[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<4>,2|O<2>,3|C<3>,5|H<1>}	C[3x6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(N[6,6]C[6]2)(C[6]C[6]H){1|O<1>,2|C<4>,4|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[3x6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	117.4010	0.000	1	117.4010	0.000	1	117.4010	0.000	1	117.4010	0.000	1	119.3092	1.717	65	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[3x6]	C[6,6a]	4:3:3:	3:4:3:4:	3:3:2:	C[3x6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6,6]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[3x6]C[6,6]2C[6])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[3x6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6,6]C[6]2)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[3x6]C[6a])(C[6a]C[6a]O)(O[6]C[6,6])	C[6,6a](C[3x6]C[6,6]2C[6])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|O<2>,2|C<4>,3|C<3>,5|H<1>}	C[3x6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6,6]C[6]2)(C[6]C[6]HH){1|N<3>,2|O<2>,3|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[3x6]C[6a])(C[6a]C[6a]O)(O[6]C[6,6]){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	119.7510	0.000	1	119.7510	0.000	1	119.7510	0.000	1	119.7510	0.000	1	119.3092	1.717	65	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[3x6]	C[6,6a]	4:3:3:	3:4:3:4:	3:3:3:	C[3x6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6,6]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[3x6]C[6,6]2C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[3x6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6,6]C[6]N[6])(C[6]C[6,6a]HH)	C[6,6a](C[6,6a]C[3x6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[3x6]C[6,6]2C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<2>,1|N<3>,3|C<3>,7|H<1>}	C[3x6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6,6]C[6]N[6])(C[6]C[6,6a]HH){1|C<4>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[3x6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){2|C<4>,2|H<1>,3|C<3>}	119.9870	0.000	1	119.9870	0.000	1	119.9870	0.000	1	119.9870	0.000	1	119.3092	1.717	65	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[3x6]	C[6,6a]	4:3:3:	3:4:4:3:	3:3:2:	C[3x6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6,6]-4:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[3x6]C[6,6]2C[6])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[3x6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)2(C[6]O[6]O)	C[6,6a](C[6,6a]C[3x6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[3x6]C[6,6]2C[6])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[3x6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)2(C[6]O[6]O){1|C<4>,1|O<1>,1|O<2>,3|C<3>,6|H<1>}	C[6,6a](C[6,6a]C[3x6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	116.9230	0.000	2	116.9230	0.000	2	116.9230	0.000	2	116.9230	0.000	2	119.3092	1.717	65	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[3x6]	C[6,6a]	4:3:3:	3:4:4:3:	3:4:3:	C[3x6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[3x6]-4:C[6]-4:C[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[3x6]C[3x6]C[6]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	C[3x6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)	C[6,6a](C[6,6a]C[3x6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6,6a](C[3x6]C[3x6]C[6]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|O<2>,2|C<3>,3|C<4>,7|H<1>}	C[3x6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,1|N<4>,2|O<2>,3|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[3x6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|N<4>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	120.0640	0.000	1	120.0640	0.000	1	120.0640	0.000	1	120.0640	0.000	1	119.3092	1.717	65	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[3x6]	C[6,6a]	4:3:3:	3:4:4:4:	3:3:4:	C[3x6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[3x6]-4:C[6]-4:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[3x6]C[3x6]C[6]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	C[3x6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]C[6]H)(C[6]C[6]HH)2	C[6,6a](C[6,6a]C[3x6]C[6a])(C[6a]C[6a]C[6])(C[6]C[6,6]HH)	C[6,6a](C[3x6]C[3x6]C[6]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|O<2>,2|C<4>,4|C<3>,7|H<1>}	C[3x6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]C[6]H)(C[6]C[6]HH)2{1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[3x6]C[6a])(C[6a]C[6a]C[6])(C[6]C[6,6]HH){1|N<3>,1|O<2>,2|H<1>,3|C<3>,3|C<4>}	121.1900	0.000	1	121.1900	0.000	1	121.1900	0.000	1	121.1900	0.000	1	119.3092	1.717	65	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[3x6]	C[6,6a]	4:3:3:	3:4:4:4:	3:4:2:	C[3x6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[3x6]-4:C[6]-4:N[6]-4:	C[6,6a]-3:C[6]-4:N[6a]-2:	C[6,6a](C[3x6]C[3x6]C[6]N[6])(C[6,6a]N[6a]C[6])(C[6a]C[6a]H)	C[3x6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]C[6]O)(C[6]C[6]HH)(N[6]C[6]HH)	C[6,6a](C[6,6a]C[3x6]C[6a])(C[6]C[6,6]HH)(N[6a]C[6a])	C[6,6a](C[3x6]C[3x6]C[6]N[6])(C[6,6a]N[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|O<2>,4|C<4>,7|H<1>}	C[3x6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]C[6]O)(C[6]C[6]HH)(N[6]C[6]HH){1|C<3>,1|N<2>,4|C<4>,7|H<1>}	C[6,6a](C[6,6a]C[3x6]C[6a])(C[6]C[6,6]HH)(N[6a]C[6a]){1|C<3>,1|N<4>,1|O<2>,2|H<1>,3|C<4>}	120.4170	0.000	1	120.4170	0.000	1	120.4170	0.000	1	120.4170	0.000	1	119.3092	1.717	65	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[3x6]	C[6,6a]	4:3:3:	3:4:4:4:	3:4:3:	C[3x6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[3x6]-4:C[6]-4:C[6]-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[3x6]C[3x6]C[6]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[3x6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]C[6]H)(C[6]C[6]HH)2	C[6,6a](C[6,6a]C[3x6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6,6a](C[3x6]C[3x6]C[6]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|O<2>,4|C<4>,8|H<1>}	C[3x6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]C[6]H)(C[6]C[6]HH)2{1|N<3>,2|C<3>,2|C<4>,8|H<1>}	C[6,6a](C[6,6a]C[3x6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<3>,1|N<3>,3|C<4>,3|H<1>}	120.6640	0.000	1	119.8577	0.608	3	119.7064	0.437	14	119.7064	0.437	14	119.3092	1.717	65	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[3x6]	C[6,6a]	4:3:3:	3:4:4:4:	3:4:3:	C[3x6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[3x6]-4:C[6]-4:C[6]-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[3x6]C[3x6]C[6]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[3x6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]C[6]H)(C[6]C[6]HH)2	C[6,6a](C[6,6a]C[3x6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6,6a](C[3x6]C[3x6]C[6]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|O<2>,4|C<4>,8|H<1>}	C[3x6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]C[6]H)(C[6]C[6]HH)2{1|N<4>,2|C<3>,2|C<4>,8|H<1>}	C[6,6a](C[6,6a]C[3x6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<3>,1|N<4>,3|C<4>,3|H<1>}	119.4545	0.490	2	119.8577	0.608	3	119.7064	0.437	14	119.7064	0.437	14	119.3092	1.717	65	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[3x6]	C[6,6a]	4:3:3:	3:4:4:4:	3:4:3:	C[3x6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[3x6]-4:C[6]-4:C[6]-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[3x6]C[3x6]C[6]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	C[3x6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]C[6]H)(C[6]C[6]HH)2	C[6,6a](C[6,6a]C[3x6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]2)	C[6,6a](C[3x6]C[3x6]C[6]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|O<2>,2|C<4>,4|C<3>,7|H<1>}	C[3x6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]C[6]H)(C[6]C[6]HH)2{1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[3x6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]2){1|N<3>,1|O<2>,2|H<1>,3|C<3>,3|C<4>}	119.4458	0.140	4	119.4458	0.020	4	119.7064	0.437	14	119.7064	0.437	14	119.3092	1.717	65	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[3x6]	C[6,6a]	4:3:3:	3:4:4:4:	3:4:3:	C[3x6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[3x6]-4:C[6]-4:C[6]-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[3x6]C[3x6]C[6]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	C[3x6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]C[6]H)(C[6]C[6]HH)2	C[6,6a](C[6,6a]C[3x6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6,6a](C[3x6]C[3x6]C[6]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|O<2>,2|C<3>,3|C<4>,8|H<1>}	C[3x6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]C[6]H)(C[6]C[6]HH)2{1|C<4>,1|N<3>,2|O<2>,3|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[3x6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<2>,2|H<1>,3|C<4>}	120.5600	0.000	1	119.8482	0.620	5	119.7064	0.437	14	119.7064	0.437	14	119.3092	1.717	65	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[3x6]	C[6,6a]	4:3:3:	3:4:4:4:	3:4:3:	C[3x6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[3x6]-4:C[6]-4:C[6]-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[3x6]C[3x6]C[6]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	C[3x6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]C[6]H)(C[6]C[6]HH)2	C[6,6a](C[6,6a]C[3x6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6,6a](C[3x6]C[3x6]C[6]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|O<2>,2|C<4>,3|C<3>,8|H<1>}	C[3x6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]C[6]H)(C[6]C[6]HH)2{1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[3x6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<2>,2|H<1>,3|C<4>}	119.6347	0.957	3	119.8482	0.620	5	119.7064	0.437	14	119.7064	0.437	14	119.3092	1.717	65	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[3x6]	C[6,6a]	4:3:3:	3:4:4:4:	3:4:3:	C[3x6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[3x6]-4:C[6]-4:C[6]-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[3x6]C[3x6]C[6]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	C[3x6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]C[6]H)(C[6]C[6]HH)2	C[6,6a](C[6,6a]C[3x6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6,6a](C[3x6]C[3x6]C[6]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|O<2>,2|C<4>,3|C<3>,8|H<1>}	C[3x6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]C[6]H)(C[6]C[6]HH)2{1|C<4>,1|N<4>,1|O<1>,1|O<2>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[3x6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<3>,1|N<4>,1|O<2>,2|H<1>,3|C<4>}	119.7770	0.000	1	119.8482	0.620	5	119.7064	0.437	14	119.7064	0.437	14	119.3092	1.717	65	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[3x6]	C[6,6a]	4:3:3:	3:4:4:4:	3:4:3:	C[3x6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[3x6]-4:C[6]-4:C[6]-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[3x6]C[3x6]C[6]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	C[3x6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]C[6]O)(C[6]C[5,6]HH)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[3x6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6,6a](C[3x6]C[3x6]C[6]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|C<3>,2|O<2>,4|C<4>,7|H<1>}	C[3x6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]C[6]O)(C[6]C[5,6]HH)(C[6]C[6]HH){1|N<3>,2|C<3>,2|C<4>,3|O<2>,5|H<1>}	C[6,6a](C[6,6a]C[3x6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<2>,2|H<1>,3|C<4>}	120.5060	0.000	1	120.5060	0.000	1	119.7064	0.437	14	119.7064	0.437	14	119.3092	1.717	65	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[3x6]	C[6,6a]	4:3:3:	3:4:4:4:	3:4:3:	C[3x6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[3x6]-4:C[6]-4:C[6]-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[3x6]C[3x6]C[6]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	C[3x6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]C[6]O)(C[6]C[6]HH)2	C[6,6a](C[6,6a]C[3x6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6,6a](C[3x6]C[3x6]C[6]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){2|C<3>,2|O<2>,3|C<4>,7|H<1>}	C[3x6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]C[6]O)(C[6]C[6]HH)2{1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[3x6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<2>,2|H<1>,3|C<4>}	118.7860	0.000	1	118.7860	0.000	1	119.7064	0.437	14	119.7064	0.437	14	119.3092	1.717	65	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[3x6]	C[6,6a]	4:3:3:	4:3:3:4:	3:3:3:	C[3x6]-4:C[6,6a]-3:C[6a]-3:	C[3x6]-4:C[6,6a]-3:C[6,6,6a]-3:C[6]-4:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[3x6]C[6,6,6a]C[3x6]C[6])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)	C[3x6](C[3x6]C[6,6,6a]C[6,6a]C[6])(C[6,6a]C[6,6a]C[6a])(C[6,6,6a]C[6,6a]2)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6a](C[3x6]C[6,6,6a]C[3x6]C[6])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H){1|Cl<1>,2|C<4>,3|H<1>,6|C<3>}	C[3x6](C[3x6]C[6,6,6a]C[6,6a]C[6])(C[6,6a]C[6,6a]C[6a])(C[6,6,6a]C[6,6a]2)(C[6]C[6]HH){2|C<4>,5|H<1>,8|C<3>}	C[6,6a](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|O<2>,2|C<4>,2|H<1>,4|C<3>}	118.7515	0.383	2	118.5622	0.253	9	118.5622	0.253	9	118.5622	0.253	9	119.3092	1.717	65	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[3x6]	C[6,6a]	4:3:3:	4:3:3:4:	3:3:3:	C[3x6]-4:C[6,6a]-3:C[6a]-3:	C[3x6]-4:C[6,6a]-3:C[6,6,6a]-3:C[6]-4:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[3x6]C[6,6,6a]C[3x6]C[6])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)	C[3x6](C[3x6]C[6,6,6a]C[6,6a]C[6])(C[6,6a]C[6,6a]C[6a])(C[6,6,6a]C[6,6a]2)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6a](C[3x6]C[6,6,6a]C[3x6]C[6])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H){1|F<1>,2|C<4>,3|H<1>,6|C<3>}	C[3x6](C[3x6]C[6,6,6a]C[6,6a]C[6])(C[6,6a]C[6,6a]C[6a])(C[6,6,6a]C[6,6a]2)(C[6]C[6]HH){2|C<4>,5|H<1>,8|C<3>}	C[6,6a](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|O<2>,2|C<4>,2|H<1>,4|C<3>}	118.3640	0.082	2	118.5622	0.253	9	118.5622	0.253	9	118.5622	0.253	9	119.3092	1.717	65	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[3x6]	C[6,6a]	4:3:3:	4:3:3:4:	3:3:3:	C[3x6]-4:C[6,6a]-3:C[6a]-3:	C[3x6]-4:C[6,6a]-3:C[6,6,6a]-3:C[6]-4:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[3x6]C[6,6,6a]C[3x6]C[6])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)	C[3x6](C[3x6]C[6,6,6a]C[6,6a]C[6])(C[6,6a]C[6,6a]C[6a])(C[6,6,6a]C[6,6a]2)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6a](C[3x6]C[6,6,6a]C[3x6]C[6])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H){1|N<3>,2|C<4>,3|H<1>,6|C<3>}	C[3x6](C[3x6]C[6,6,6a]C[6,6a]C[6])(C[6,6a]C[6,6a]C[6a])(C[6,6,6a]C[6,6a]2)(C[6]C[6]HH){2|C<4>,5|H<1>,8|C<3>}	C[6,6a](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|O<2>,2|C<4>,2|H<1>,4|C<3>}	119.5740	0.000	1	118.5622	0.253	9	118.5622	0.253	9	118.5622	0.253	9	119.3092	1.717	65	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[3x6]	C[6,6a]	4:3:3:	4:3:3:4:	3:3:3:	C[3x6]-4:C[6,6a]-3:C[6a]-3:	C[3x6]-4:C[6,6a]-3:C[6,6,6a]-3:C[6]-4:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[3x6]C[6,6,6a]C[3x6]C[6])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)	C[3x6](C[3x6]C[6,6,6a]C[6,6a]C[6])(C[6,6a]C[6,6a]C[6a])(C[6,6,6a]C[6,6a]2)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6a](C[3x6]C[6,6,6a]C[3x6]C[6])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H){2|C<4>,4|H<1>,6|C<3>}	C[3x6](C[3x6]C[6,6,6a]C[6,6a]C[6])(C[6,6a]C[6,6a]C[6a])(C[6,6,6a]C[6,6a]2)(C[6]C[6]HH){2|C<4>,5|H<1>,8|C<3>}	C[6,6a](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|O<2>,2|C<4>,2|H<1>,4|C<3>}	118.1735	0.476	2	118.5622	0.253	9	118.5622	0.253	9	118.5622	0.253	9	119.3092	1.717	65	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[3x6]	C[6,6a]	4:3:3:	4:3:3:4:	3:3:3:	C[3x6]-4:C[6,6a]-3:C[6a]-3:	C[3x6]-4:C[6,6a]-3:C[6,6,6a]-3:C[6]-4:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[3x6]C[6,6,6a]C[3x6]C[6])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)	C[3x6](C[3x6]C[6,6,6a]C[6,6a]C[6])(C[6,6a]C[6,6a]C[6a])(C[6,6,6a]C[6,6a]2)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C[6,6a](C[3x6]C[6,6,6a]C[3x6]C[6])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H){3|C<4>,3|H<1>,6|C<3>}	C[3x6](C[3x6]C[6,6,6a]C[6,6a]C[6])(C[6,6a]C[6,6a]C[6a])(C[6,6,6a]C[6,6a]2)(C[6]C[6]HH){2|C<4>,5|H<1>,8|C<3>}	C[6,6a](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|O<2>,2|C<4>,2|H<1>,4|C<3>}	118.4540	0.382	2	118.5622	0.253	9	118.5622	0.253	9	118.5622	0.253	9	119.3092	1.717	65	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[3x6]	C[6,6a]	4:3:3:	4:3:4:1:	3:4:3:	C[3x6]-4:C[6,6a]-3:C[6a]-3:	C[4x6]-4:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[3x6]C[4x6]C[6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[3x6](C[4x6]C[3x6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]HH)(H)	C[6,6a](C[6,6a]C[3x6]C[6a])(C[6]C[3x6]CH)(C[6a]C[6a]O)	C[6,6a](C[3x6]C[4x6]C[6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,3|C<4>,5|H<1>}	C[3x6](C[4x6]C[3x6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]HH)(H){1|N<2>,2|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[3x6]C[6a])(C[6]C[3x6]CH)(C[6a]C[6a]O){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	121.8580	0.000	1	121.8580	0.000	1	121.7023	0.027	3	121.7023	0.027	3	119.3092	1.717	65	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[3x6]	C[6,6a]	4:3:3:	4:3:4:1:	3:4:3:	C[3x6]-4:C[6,6a]-3:C[6a]-3:	C[4x6]-4:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[3x6]C[4x6]C[6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[3x6](C[4x6]C[3x6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]HH)(H)	C[6,6a](C[6,6a]C[3x6]C[6a])(C[6]C[3x6]HH)(C[6a]C[6a]O)	C[6,6a](C[3x6]C[4x6]C[6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	C[3x6](C[4x6]C[3x6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]HH)(H){1|N<2>,2|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[3x6]C[6a])(C[6]C[3x6]HH)(C[6a]C[6a]O){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	121.6245	0.136	2	121.6245	0.019	2	121.7023	0.027	3	121.7023	0.027	3	119.3092	1.717	65	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[3x6]	C[6,6a]	4:3:3:	4:3:4:4:	3:3:2:	C[3x6]-4:C[6,6a]-3:C[6a]-3:	C[4x6]-4:C[6,6a]-3:C[6,6]-4:C-4:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a](C[3x6]C[4x6]C[6,6]C)(C[6,6a]C[6a,6a]O[6])(C[6a]O[6a]O)	C[3x6](C[4x6]C[6,6,6a]C[3x6]H)(C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]HH)(CH3)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[3x6]C[6a])(O[6]C[3x6])	C[6,6a](C[3x6]C[4x6]C[6,6]C)(C[6,6a]C[6a,6a]O[6])(C[6a]O[6a]O){2|C<4>,3|C<3>,3|H<1>}	C[3x6](C[4x6]C[6,6,6a]C[3x6]H)(C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]HH)(CH3){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|O<2>,3|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[3x6]C[6a])(O[6]C[3x6]){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	122.0370	0.000	1	122.1195	0.014	2	122.1195	0.014	2	122.1195	0.014	2	119.3092	1.717	65	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[3x6]	C[6,6a]	4:3:3:	4:3:4:4:	3:3:2:	C[3x6]-4:C[6,6a]-3:C[6a]-3:	C[4x6]-4:C[6,6a]-3:C[6,6]-4:C-4:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a](C[3x6]C[4x6]C[6,6]C)(C[6,6a]C[6a,6a]O[6])(C[6a]O[6a]O)	C[3x6](C[4x6]C[6,6,6a]C[3x6]H)(C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]HH)(CH3)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[3x6]C[6a])(O[6]C[3x6])	C[6,6a](C[3x6]C[4x6]C[6,6]C)(C[6,6a]C[6a,6a]O[6])(C[6a]O[6a]O){2|C<4>,3|C<3>,3|H<1>}	C[3x6](C[4x6]C[6,6,6a]C[3x6]H)(C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]HH)(CH3){1|N<3>,1|O<1>,2|H<1>,2|O<2>,3|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[3x6]C[6a])(O[6]C[3x6]){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	122.2020	0.000	1	122.1195	0.014	2	122.1195	0.014	2	122.1195	0.014	2	119.3092	1.717	65	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[3x6]	C[6,6a]	4:3:3:	4:4:3:2:	3:4:3:	C[3x6]-4:C[6,6a]-3:C[6a]-3:	C[3x6]-4:C[4x6]-4:C[6,6a]-3:O-2:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a](C[3x6]C[3x6]C[4x6]O)(C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)	C[3x6](C[3x6]C[6,6,6a]O[6,6]H)(C[4x6]C[4x6]O[6,6]C)(C[6,6a]C[6,6a]C[6a])(OC)	C[6,6a](C[6,6a]C[3x6]C[6a])(C[6,6]O[6,6]C[6]H)(C[6a]C[6a]H)	C[6,6a](C[3x6]C[3x6]C[4x6]O)(C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H){2|C<3>,2|O<2>,3|C<4>,4|H<1>}	C[3x6](C[3x6]C[6,6,6a]O[6,6]H)(C[4x6]C[4x6]O[6,6]C)(C[6,6a]C[6,6a]C[6a])(OC){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[3x6]C[6a])(C[6,6]O[6,6]C[6]H)(C[6a]C[6a]H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	119.3175	0.158	2	119.3175	0.025	2	119.3175	0.025	2	119.3175	0.025	2	119.3092	1.717	65	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[4x6]	C[6,6a]	4:3:3:	3:3:3:2:	3:4:3:	C[4x6]-4:C[6,6a]-3:C[6a]-3:	C[3x6,6a]-3:C[6,6]-3:C[6,6a]-3:O[6,6]-2:	C[6,6a]-3:Si[6]-4:C[6a]-3:	C[6,6a](C[4x6]C[3x6,6a]C[6,6]O[6,6])(C[6,6a]C[6a]Si[6])(C[6a]C[6a]H)	C[4x6](C[3x6,6a]C[6,6,6a]C[6,6a])(C[6,6]C[5,6,6]C[6a])(C[6,6a]C[6,6a]C[6a])(O[6,6]O[6,6])	C[6,6a](C[6,6a]C[4x6]C[6a])(Si[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6,6a](C[4x6]C[3x6,6a]C[6,6]O[6,6])(C[6,6a]C[6a]Si[6])(C[6a]C[6a]H){1|O<2>,2|C<4>,2|H<1>,5|C<3>}	C[4x6](C[3x6,6a]C[6,6,6a]C[6,6a])(C[6,6]C[5,6,6]C[6a])(C[6,6a]C[6,6a]C[6a])(O[6,6]O[6,6]){2|Si<4>,1|C<4>,1|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[4x6]C[6a])(Si[6]C[6,6a]CC)(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	124.2950	0.000	1	124.2950	0.000	1	124.2950	0.000	1	124.2950	0.000	1	120.0954	6.159	11	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[4x6]	C[6,6a]	4:3:3:	3:3:3:3:	3:3:2:	C[4x6]-4:C[6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6a]-3:C[4x6]-3:C[6,6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a](C[4x6]C[6,6,6a]C[4x6]C[6,6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[4x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[4x6]C[3x6]C[6,6])(C[6,6]C[6,6]H)	C[6,6a](C[6,6a]C[4x6]C[6a])(C[6a]C[6a]H)(N[6]C[6,6])	C[6,6a](C[4x6]C[6,6,6a]C[4x6]C[6,6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,6|C<3>}	C[4x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[4x6]C[3x6]C[6,6])(C[6,6]C[6,6]H){1|C<4>,1|N<2>,3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[4x6]C[6a])(C[6a]C[6a]H)(N[6]C[6,6]){2|H<1>,5|C<3>}	119.9695	0.162	2	119.9695	0.026	2	119.9695	0.026	2	119.9695	0.026	2	120.0954	6.159	11	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[4x6]	C[6,6a]	4:3:3:	3:3:3:3:	3:4:3:	C[4x6]-4:C[6,6a]-3:C[6a]-3:	C[6,6,6a]-3:C[6,6]-3:C[6,6a]-3:C[5x6]-3:	C[6,6a]-3:Si[6]-4:C[6a]-3:	C[6,6a](C[4x6]C[6,6,6a]C[5x6]C[6,6])(C[6,6a]C[6a]Si[6])(C[6a]C[6a]H)	C[4x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[5,6,6]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5x6]C[3x6]C[5x6])	C[6,6a](C[6,6a]C[4x6]C[6a])(Si[6]C[3x6]CC)(C[6a]C[6a]H)	C[6,6a](C[4x6]C[6,6,6a]C[5x6]C[6,6])(C[6,6a]C[6a]Si[6])(C[6a]C[6a]H){2|H<1>,3|C<4>,6|C<3>}	C[4x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[5,6,6]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5x6]C[3x6]C[5x6]){2|Si<4>,2|C<4>,2|H<1>,8|C<3>}	C[6,6a](C[6,6a]C[4x6]C[6a])(Si[6]C[3x6]CC)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	124.3160	0.000	1	124.3160	0.000	1	124.3160	0.000	1	124.3160	0.000	1	120.0954	6.159	11	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[4x6]	C[6,6a]	4:3:3:	3:4:3:3:	3:3:4:	C[4x6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[3x6]-4:N[6,6]-3:N[6,6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[4x6]C[3x6]N[6,6]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[4x6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]C[6]H)(N[6,6]C[6,6]H)2	C[6,6a](C[6,6a]C[4x6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[4x6]C[3x6]N[6,6]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<4>,3|C<3>,7|H<1>}	C[4x6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]C[6]H)(N[6,6]C[6,6]H)2{2|C<4>,2|O<1>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[4x6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,2|N<3>,4|H<1>}	120.8085	0.128	2	120.8085	0.016	2	120.8085	0.016	2	120.8085	0.016	2	120.0954	6.159	11	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[4x6]	C[6,6a]	4:3:3:	3:4:4:4:	3:3:4:	C[4x6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[3x6]-4:C[6,6]-4:C[6,6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[4x6]C[3x6]C[6,6]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[4x6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[3x6]N[6]C)(C[6,6]C[3x6]HH)2	C[6,6a](C[6,6a]C[4x6]C[6a])(C[6a]C[6a]H)(C[6]N[6]CC)	C[6,6a](C[4x6]C[3x6]C[6,6]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|N<3>,6|C<4>,6|H<1>}	C[4x6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[3x6]N[6]C)(C[6,6]C[3x6]HH)2{1|O<1>,2|C<3>,4|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[4x6]C[6a])(C[6a]C[6a]H)(C[6]N[6]CC){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	119.4870	0.000	1	119.4870	0.000	1	119.4870	0.000	1	119.4870	0.000	1	120.0954	6.159	11	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[4x6]	C[6,6a]	4:3:3:	4:3:4:4:	3:3:3:	C[4x6]-4:C[6,6a]-3:C[6a]-3:	C[4x6]-4:C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[4x6]C[4x6]C[6,6]C[6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[4x6](C[4x6]C[6,6a]C[6,6]C[6])(C[6,6a]C[6,6a]C[6a])(C[6,6]N[6]2H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[4x6]C[6a])(C[6a]C[6a]H)(N[6]C[6,6]H)	C[6,6a](C[4x6]C[4x6]C[6,6]C[6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){2|C<3>,2|N<3>,3|C<4>,6|H<1>}	C[4x6](C[4x6]C[6,6a]C[6,6]C[6])(C[6,6a]C[6,6a]C[6a])(C[6,6]N[6]2H)(C[6]C[6]HH){2|C<4>,2|N<3>,4|C<3>,7|H<1>}	C[6,6a](C[6,6a]C[4x6]C[6a])(C[6a]C[6a]H)(N[6]C[6,6]H){1|C<3>,1|N<3>,3|C<4>,3|H<1>}	118.8975	0.129	2	118.8975	0.017	2	118.8975	0.017	2	118.8975	0.017	2	120.0954	6.159	11	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[4x6]	C[6,6a]	4:3:3:	4:3:4:4:	3:3:4:	C[4x6]-4:C[6,6a]-3:C[6a]-3:	C[5,3x6]-4:C[6,6a]-3:C[6,6]-4:C[6,6]-4:	C[5a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a](C[4x6]C[5,3x6]C[6,6]2)(C[6,6a]C[5a,6a]C[6])(C[6a]C[6a]H)	C[4x6](C[5,3x6]C[5,6,6]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6,6]O[6,6]HH)	C[6,6a](C[5a,6a]C[5a,6a]O[5a])(C[6,6a]C[4x6]C[6a])(C[6]C[5,6]HH)	C[6,6a](C[4x6]C[5,3x6]C[6,6]2)(C[6,6a]C[5a,6a]C[6])(C[6a]C[6a]H){1|C<3>,3|C<4>,3|O<2>,7|H<1>}	C[4x6](C[5,3x6]C[5,6,6]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6,6]O[6,6]HH){1|O<2>,3|C<3>,3|C<4>,4|H<1>}	C[6,6a](C[5a,6a]C[5a,6a]O[5a])(C[6,6a]C[4x6]C[6a])(C[6]C[5,6]HH){1|O<2>,2|H<1>,3|C<3>,3|C<4>}	116.6120	0.000	1	116.8000	0.071	2	116.8000	0.071	2	116.8000	0.071	2	120.0954	6.159	11	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[4x6]	C[6,6a]	4:3:3:	4:3:4:4:	3:3:4:	C[4x6]-4:C[6,6a]-3:C[6a]-3:	C[5,3x6]-4:C[6,6a]-3:C[6,6]-4:C[6,6]-4:	C[5a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a](C[4x6]C[5,3x6]C[6,6]2)(C[6,6a]C[5a,6a]C[6])(C[6a]C[6a]H)	C[4x6](C[5,3x6]C[5,6,6]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6,6]O[6,6]HH)	C[6,6a](C[5a,6a]C[5a,6a]O[5a])(C[6,6a]C[4x6]C[6a])(C[6]C[5,6]HH)	C[6,6a](C[4x6]C[5,3x6]C[6,6]2)(C[6,6a]C[5a,6a]C[6])(C[6a]C[6a]H){1|C<3>,3|C<4>,3|O<2>,7|H<1>}	C[4x6](C[5,3x6]C[5,6,6]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6,6]O[6,6]HH){2|O<2>,3|C<3>,3|C<4>,3|H<1>}	C[6,6a](C[5a,6a]C[5a,6a]O[5a])(C[6,6a]C[4x6]C[6a])(C[6]C[5,6]HH){1|O<2>,2|H<1>,3|C<3>,3|C<4>}	116.9880	0.000	1	116.8000	0.071	2	116.8000	0.071	2	116.8000	0.071	2	120.0954	6.159	11	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6,6a]	3:4:3:	3:3:3:2:	3:3:3:	C[6,6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6,6]-3:O[6]-2:	C[6,6a]-3:C[6,6,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6,6a]C[6,6,6a]C[6,6a])(C[6,6]C[6,6a]C[6,6]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O[6]C[6,6a])	C[6,6,6a](C[6,6a]C[6,6]C[6a])(C[6,6,6a]C[6,6a]2)(C[6,6a]C[6a]O[6])	C[6,6a](C[6,6,6a]C[6,6,6a]C[6,6a])(C[6,6]C[6,6a]C[6,6]O[6])(C[6a]C[6a]H){1|H<1>,1|O<2>,7|C<3>}	C[6,6](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O[6]C[6,6a]){1|C<2>,1|N<3>,3|H<1>,7|C<3>}	C[6,6,6a](C[6,6a]C[6,6]C[6a])(C[6,6,6a]C[6,6a]2)(C[6,6a]C[6a]O[6]){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	118.6630	0.000	1	118.6630	0.000	1	118.6630	0.000	1	118.6630	0.000	1	120.2403	3.501	7	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6,6a]	3:4:3:	3:3:4:1:	4:3:3:	C[6,6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a]-3:C[6,6,6a]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6,6]C[6,6,6a]C[6]H)(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6,6a]C[6a])(C[6,6,6a]C[6,6a]2)(C[6]C[6]HH)(H)	C[6,6,6a](C[6,6]C[6,6a]C[6]H)(C[6,6a]C[6,6]C[6a])(C[6,6a]C[6a]C[6])	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6,6]C[6,6,6a]C[6]H)(C[6a]C[6a]H){3|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6a]C[6,6,6a]C[6a])(C[6,6,6a]C[6,6a]2)(C[6]C[6]HH)(H){2|C<4>,3|H<1>,4|C<3>}	C[6,6,6a](C[6,6]C[6,6a]C[6]H)(C[6,6a]C[6,6]C[6a])(C[6,6a]C[6a]C[6]){1|O<2>,2|C<4>,3|C<3>,6|H<1>}	122.1710	0.201	3	122.1710	0.040	3	122.1710	0.040	3	122.1710	0.040	3	120.2403	3.501	7	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6,6a]	3:4:3:	3:4:4:1:	3:3:3:	C[6,6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6,6a]-3:C[6,6,6a]-3:	C[6,6a](C[6,6,6a]C[6,6,6a]C[6,6a])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(H)	C[6,6,6a](C[6,6a]C[6,6]C[6a])2(C[6,6,6a]C[6,6a]2)	C[6,6a](C[6,6,6a]C[6,6,6a]C[6,6a])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]H){3|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(H){1|C<4>,4|C<3>,5|H<1>}	C[6,6,6a](C[6,6a]C[6,6]C[6a])2(C[6,6,6a]C[6,6a]2){3|C<3>,4|C<4>,4|H<1>}	119.3045	0.110	2	119.3045	0.012	2	119.3045	0.012	2	119.3045	0.012	2	120.2403	3.501	7	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6,6a]	3:4:3:	3:4:4:4:	3:3:4:	C[6,6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6,6]C[6,6]C[6]C)(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6,6a](C[6,6a]C[6,6]C[6a])(C[6,6a]C[6a]O[6])(C[6,6]C[6]2H)	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6,6]C[6,6]C[6]C)(C[6a]C[6a]H){1|C<3>,1|O<2>,4|C<4>,5|H<1>}	C[6,6](C[6,6a]C[6,6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,4|C<4>,5|H<1>}	C[6,6,6a](C[6,6a]C[6,6]C[6a])(C[6,6a]C[6a]O[6])(C[6,6]C[6]2H){1|C<3>,1|O<2>,4|C<4>,5|H<1>}	117.8970	0.000	1	117.8970	0.000	1	117.8970	0.000	1	117.8970	0.000	1	120.2403	3.501	7	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a,6a]	3:4:2:	3:3:4:1:	3:3:3:	C[6,6a,6a]-3:C[6,6]-4:N[6a]-2:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6a,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6a]C[6,6]H)(N[6a]C[6a,6a])	C[6,6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a,6a]N[6a])(C[6,6]C[6,6]HH)(H)	C[6,6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6]C[6a])(C[6,6a]C[6,6]N[6a])	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6a]C[6,6]H)(N[6a]C[6a,6a]){1|C<4>,2|H<1>,6|C<3>}	C[6,6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a,6a]N[6a])(C[6,6]C[6,6]HH)(H){2|H<1>,6|C<3>}	C[6,6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6]C[6a])(C[6,6a]C[6,6]N[6a]){1|C<4>,4|H<1>,5|C<3>}	118.9130	0.000	1	118.9130	0.000	1	118.9130	0.000	1	118.9130	0.000	1	119.7574	5.994	14	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a,6a]	3:4:3:	3:3:3:2:	3:3:3:	C[6,6a,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6]-3:N[6]-2:	C[6,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6,6]C[6]2N[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]H)2(N[6]C[6])	C[6,6a,6a](C[6,6a]C[6,6]C[6a])(C[6,6a]C[6a]C[6])(C[6a,6a]C[6a]2)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6,6]C[6]2N[6])(C[6a]C[6a]H){3|H<1>,6|C<3>}	C[6,6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]H)2(N[6]C[6]){1|N<3>,3|H<1>,4|C<3>}	C[6,6a,6a](C[6,6a]C[6,6]C[6a])(C[6,6a]C[6a]C[6])(C[6a,6a]C[6a]2){1|N<2>,1|N<3>,4|C<3>,4|H<1>}	119.8780	0.000	1	119.8780	0.000	1	119.8780	0.000	1	119.4605	0.349	2	119.7574	5.994	14	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a,6a]	3:4:3:	3:3:3:2:	3:3:3:	C[6,6a,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a]-3:N[6,6]-3:N[6]-3:O-2:	C[6,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6,6]N[6,6]N[6]O)(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a,6a]C[6a])(N[6,6]C[6,6a]C[6])(N[6]C[6]C)(OO)	C[6,6a,6a](C[6,6a]C[6,6]C[6a])(C[6,6a]C[6a]C[6])(C[6a,6a]C[6a]2)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6,6]N[6,6]N[6]O)(C[6a]C[6a]H){1|C<4>,1|H<1>,6|C<3>}	C[6,6](C[6,6a]C[6,6a,6a]C[6a])(N[6,6]C[6,6a]C[6])(N[6]C[6]C)(OO){1|H<1>,2|O<1>,5|C<3>}	C[6,6a,6a](C[6,6a]C[6,6]C[6a])(C[6,6a]C[6a]C[6])(C[6a,6a]C[6a]2){1|O<1>,1|O<2>,2|C<3>,2|N<3>,4|H<1>}	119.0430	0.000	1	119.0430	0.000	1	119.0430	0.000	1	119.4605	0.349	2	119.7574	5.994	14	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a,6a]	3:4:3:	3:3:3:3:	3:3:3:	C[6,6a,6a]-3:C[6,6]-4:C[5a,6a]-3:	C[6,6,6a]-3:C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a,6a]-3:C[5a,6a,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[6,6]C[6,6,6a]C[6a]C[6])(C[5a,6a]C[5a,6a,6a]C[5a])	C[6,6](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[6,6a]C[6,6a,6a]C[5a,6a])(C[6]C[6a]N[6])(C[6a]C[6a]2)	C[6,6a,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[6,6a]C[5a,6a]C[6,6])	C[6,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[6,6]C[6,6,6a]C[6a]C[6])(C[5a,6a]C[5a,6a,6a]C[5a]){10|C<3>,1|N<2>,1|O<1>}	C[6,6](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[6,6a]C[6,6a,6a]C[5a,6a])(C[6]C[6a]N[6])(C[6a]C[6a]2){10|C<3>,1|C<4>,2|H<1>}	C[6,6a,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[6,6a]C[5a,6a]C[6,6]){10|C<3>}	114.2650	0.000	1	114.2650	0.000	1	114.2650	0.000	1	120.2550	16.165	4	119.7574	5.994	14	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a,6a]	3:4:3:	3:3:3:3:	3:3:3:	C[6,6a,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:N[5a,6]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6a]N[5a,6]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6]C[5a])(C[6]C[6]H)	C[6,6a,6a](C[6,6a]C[5a,6]C[6a])(C[6,6a]C[6,6]C[6a])(C[6a,6a]C[6a]2)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6a]N[5a,6]C[6])(C[6a]C[6a]H){2|H<1>,8|C<3>}	C[6,6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6]C[5a])(C[6]C[6]H){1|N<2>,3|H<1>,8|C<3>}	C[6,6a,6a](C[6,6a]C[5a,6]C[6a])(C[6,6a]C[6,6]C[6a])(C[6a,6a]C[6a]2){1|N<2>,1|N<3>,4|C<3>,4|H<1>}	122.6840	0.000	1	122.6840	0.000	1	122.6840	0.000	1	120.2550	16.165	4	119.7574	5.994	14	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a,6a]	3:4:3:	3:3:3:3:	3:3:3:	C[6,6a,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a]-3:N[5a,6]-3:C[6]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6,6]N[5a,6]C[6]2)(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a,6a]C[6a])(N[5a,6]C[5a,6]C[5a])(C[6]C[6]H)2	C[6,6a,6a](C[6,6a]C[5a,6]C[6a])(C[6,6a]C[6,6]C[6a])(C[6a,6a]C[6a]2)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6,6]N[5a,6]C[6]2)(C[6a]C[6a]H){3|H<1>,7|C<3>}	C[6,6](C[6,6a]C[6,6a,6a]C[6a])(N[5a,6]C[5a,6]C[5a])(C[6]C[6]H)2{1|N<2>,3|H<1>,6|C<3>}	C[6,6a,6a](C[6,6a]C[5a,6]C[6a])(C[6,6a]C[6,6]C[6a])(C[6a,6a]C[6a]2){1|N<2>,1|N<3>,4|C<3>,4|H<1>}	122.0355	0.612	2	122.0355	0.374	2	122.0355	0.374	2	120.2550	16.165	4	119.7574	5.994	14	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a,6a]	3:4:3:	3:3:3:4:	3:3:3:	C[6,6a,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-3:C[6]-3:C-4:	C[6,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6]C)(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6]B[6]C[6])(C[6]C[6]H)(CH3)	C[6,6a,6a](C[6,6a]C[6,6]C[6a])(C[6,6a]C[6a]B[6])(C[6a,6a]C[6a]2)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6]C)(C[6a]C[6a]H){1|B<3>,2|H<1>,5|C<3>}	C[6,6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6]B[6]C[6])(C[6]C[6]H)(CH3){1|H<1>,2|C<4>,5|C<3>}	C[6,6a,6a](C[6,6a]C[6,6]C[6a])(C[6,6a]C[6a]B[6])(C[6a,6a]C[6a]2){1|C<4>,4|H<1>,5|C<3>}	123.4540	0.000	1	123.4540	0.000	1	123.4540	0.000	1	123.4540	0.000	1	119.7574	5.994	14	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a,6a]	3:4:3:	3:3:4:1:	3:3:3:	C[6,6a,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6a]-3:C[6]-4:H-1:	C[6,6a,6a]-3:C[5,6a,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[6,6]C[6,6,6a]C[6]H)(C[6a]C[6a,6a]Co)	C[6,6](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]CoH)(H)	C[6,6a,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6a,6a]C[5,6a,6a]2)(C[6,6a]C[6,6]C[6a])	C[6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[6,6]C[6,6,6a]C[6]H)(C[6a]C[6a,6a]Co){1|C<4>,1|H<1>,6|C<3>}	C[6,6](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]CoH)(H){1|C<4>,1|H<1>,5|C<3>}	C[6,6a,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6a,6a]C[5,6a,6a]2)(C[6,6a]C[6,6]C[6a]){1|Co<9>,1|C<4>,1|H<1>,7|C<3>}	117.2310	0.000	1	117.2310	0.000	1	118.0220	1.251	2	119.1195	2.926	4	119.7574	5.994	14	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a,6a]	3:4:3:	3:3:4:1:	3:3:3:	C[6,6a,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6,6a]-3:C[6,6a]-3:C[6]-4:H-1:	C[6,6a,6a]-3:C[5,6a,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[6,6]C[6,6,6a]C[6]H)(C[6a]C[6a,6a]Co)	C[6,6](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]CoH)(H)	C[6,6a,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[5,6a,6a]C[5,6a,6a]2)(C[6,6a]C[6,6]C[6a])	C[6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[6,6]C[6,6,6a]C[6]H)(C[6a]C[6a,6a]Co){1|C<4>,1|H<1>,6|C<3>}	C[6,6](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]CoH)(H){1|C<4>,1|H<1>,5|C<3>}	C[6,6a,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[5,6a,6a]C[5,6a,6a]2)(C[6,6a]C[6,6]C[6a]){1|Co<9>,1|C<4>,1|H<1>,7|C<3>}	118.8130	0.000	1	118.8130	0.000	1	118.0220	1.251	2	119.1195	2.926	4	119.7574	5.994	14	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a,6a]	3:4:3:	3:3:4:1:	3:3:3:	C[6,6a,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6a,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6a]C[6,6]H)(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a,6a]N[6a])(C[6,6]C[6,6]HH)(H)	C[6,6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6]C[6a])(C[6,6a]C[6,6]N[6a])	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6a]C[6,6]H)(C[6a]C[6a]H){1|C<4>,2|N<2>,3|C<3>,3|H<1>}	C[6,6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a,6a]N[6a])(C[6,6]C[6,6]HH)(H){2|H<1>,6|C<3>}	C[6,6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6]C[6a])(C[6,6a]C[6,6]N[6a]){1|C<4>,4|H<1>,5|C<3>}	119.0530	0.000	1	119.0530	0.000	1	119.0530	0.000	1	119.1195	2.926	4	119.7574	5.994	14	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a,6a]	3:4:3:	3:3:4:1:	3:3:3:	C[6,6a,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6a,6a]-3:N[6,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6a,6a]C[6a,6a]N[6,6a])(C[6,6]C[6,6a]C[6,6]H)(C[6a]C[6a,6a]O)	C[6,6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2C)(H)	C[6,6a,6a](C[6a,6a]C[6a,6a]N[6a])(N[6,6a]C[6a,6a]C[6])(C[6,6a]C[6,6]C[6a])	C[6,6a](C[6,6a,6a]C[6a,6a]N[6,6a])(C[6,6]C[6,6a]C[6,6]H)(C[6a]C[6a,6a]O){1|N<2>,2|C<4>,6|C<3>}	C[6,6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2C)(H){1|N<3>,1|O<1>,1|O<2>,4|H<1>,5|C<3>}	C[6,6a,6a](C[6a,6a]C[6a,6a]N[6a])(N[6,6a]C[6a,6a]C[6])(C[6,6a]C[6,6]C[6a]){1|C<4>,1|O<1>,2|H<1>,6|C<3>}	121.3810	0.000	1	121.3810	0.000	1	121.3810	0.000	1	119.1195	2.926	4	119.7574	5.994	14	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a,6a]	3:4:3:	3:3:4:2:	3:3:3:	C[6,6a,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:O-2:	C[6,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6a]C[6,6]O)(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(OH)	C[6,6a,6a](C[6,6a]C[6,6]C[6a])(C[6,6a]C[6a]O[6])(C[6a,6a]C[6a]2)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6a]C[6,6]O)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	C[6,6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(OH){1|O<2>,3|H<1>,6|C<3>}	C[6,6a,6a](C[6,6a]C[6,6]C[6a])(C[6,6a]C[6a]O[6])(C[6a,6a]C[6a]2){1|C<4>,2|O<2>,3|C<3>,3|H<1>}	117.9900	0.000	1	117.9900	0.000	1	117.9900	0.000	1	117.9900	0.000	1	119.7574	5.994	14	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a,6a]	3:4:3:	4:3:2:1:	3:3:3:	C[6,6a,6a]-3:C[6,6]-4:C[6a]-3:	C[5,6,6]-4:C[6,6a]-3:O[6]-2:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6,6]C[5,6,6]O[6]H)(C[6a]C[6a]H)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6a]C[6,6a,6a]C[6a])(O[6]C[6])(H)	C[6,6a,6a](C[6,6a]C[5,6]C[6a])(C[6,6a]C[6,6]C[6a])(C[6a,6a]C[6a]2)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6,6]C[5,6,6]O[6]H)(C[6a]C[6a]H){1|H<1>,3|C<3>,4|C<4>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6a]C[6,6a,6a]C[6a])(O[6]C[6])(H){1|O<2>,2|C<4>,3|C<3>,8|H<1>}	C[6,6a,6a](C[6,6a]C[5,6]C[6a])(C[6,6a]C[6,6]C[6a])(C[6a,6a]C[6a]2){1|C<4>,2|C<3>,2|O<2>,6|H<1>}	119.8270	0.000	1	119.8270	0.000	1	119.8270	0.000	1	119.8270	0.000	1	119.7574	5.994	14	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	3:3:4:	3:3:4:1:	3:3:2:	C[6a,6a]-3:C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6,6]-3:C[6,6]-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6a,6a]C[6a,6a]O[6a])(C[6,6a]C[6a]O[6])(C[6,6]C[6,6]2H)	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6,6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6a,6a]C[6a,6a]O[6a])(C[6,6a]C[6a]O[6])(C[6,6]C[6,6]2H){2|C<4>,2|H<1>,5|C<3>}	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(H){1|O<1>,2|C<3>,2|H<1>,3|O<2>,4|C<4>}	C[6,6a](C[6,6a]C[6a,6a]C[6,6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	121.0625	0.066	2	121.0625	0.004	2	121.0625	0.004	2	121.0625	0.004	2	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	3:4:3:	3:2:2:4:	3:3:4:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a]-3:O[6]-2:O[6]-2:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6,6]C[6]O[6]2)(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])2(C[6]C[6]HO)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]HO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6,6]C[6]O[6]2)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>,3|O<2>}	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])2(C[6]C[6]HO){1|Cl<1>,1|C<4>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]HO){1|Cl<1>,1|C<3>,1|C<4>,2|O<2>,3|H<1>}	120.7630	0.000	1	120.7630	0.000	1	120.7630	0.000	1	120.7630	0.000	1	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	3:4:3:	3:2:3:2:	3:3:2:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a]-3:O[6]-2:C[6]-3:O[6]-2:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a](C[6,6a]C[6a]N[6])(C[6,6]C[6]O[6]2)(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(C[6]O[6]O)(O[6]C[6])	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6,6]C[6]O[6]2)(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(C[6]O[6]O)(O[6]C[6]){1|H<1>,1|N<2>,2|C<3>,4|C<4>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	116.3960	0.000	1	116.3960	0.000	1	116.3960	0.000	1	116.3960	0.000	1	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	3:4:3:	3:2:3:3:	3:3:2:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a]-3:O[6]-2:C[6]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6,6]C[6]2O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(C[6]C[6]H)2	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6,6]C[6]2O[6])(C[6a]C[6a]H){1|Br<1>,3|H<1>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(C[6]C[6]H)2{1|C<4>,1|H<1>,1|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|O<2>,2|H<1>,4|C<3>}	120.4717	0.331	3	120.4913	0.074	4	120.4913	0.074	4	120.4913	0.074	4	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	3:4:3:	3:2:3:3:	3:3:2:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a]-3:O[6]-2:C[6]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6,6]C[6]2O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(C[6]C[6]H)2	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6,6]C[6]2O[6])(C[6a]C[6a]H){1|Cl<1>,3|H<1>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(C[6]C[6]H)2{1|C<4>,1|H<1>,1|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|O<2>,2|H<1>,4|C<3>}	120.5500	0.000	1	120.4913	0.074	4	120.4913	0.074	4	120.4913	0.074	4	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	3:4:3:	3:2:4:2:	3:3:3:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a]-3:O[6]-2:C[6]-4:O[6]-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6,6]C[6]O[6]2)(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(C[6]C[6]HH)(O[6]C[6])	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6,6]C[6]O[6]2)(C[6a]C[6a]H){1|C<4>,3|C<3>,5|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(C[6]C[6]HH)(O[6]C[6]){2|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	116.6920	0.345	2	116.6920	0.119	2	116.6920	0.119	2	116.6920	0.119	2	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	3:4:3:	3:2:4:3:	3:3:2:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a]-3:O[6]-2:C[6]-4:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6,6]C[6]2O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(C[6]C[6]HH)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6,6]C[6]2O[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,5|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(C[6]C[6]HH)(C[6]C[6]H){1|H<1>,1|O<2>,2|C<4>,5|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|H<1>,1|N<3>,1|O<2>,3|C<3>}	121.0490	0.000	1	121.3570	0.204	3	121.3570	0.204	3	121.3570	0.204	3	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	3:4:3:	3:2:4:3:	3:3:2:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a]-3:O[6]-2:C[6]-4:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6,6]C[6]2O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(C[6]C[6]HH)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6,6]C[6]2O[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,5|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(C[6]C[6]HH)(C[6]C[6]H){1|H<1>,1|O<2>,2|C<4>,5|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|H<1>,2|O<2>,3|C<3>}	121.5110	0.515	2	121.3570	0.204	3	121.3570	0.204	3	121.3570	0.204	3	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	3:4:3:	3:2:4:3:	3:3:3:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a]-3:O[6]-2:C[6]-4:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6,6]C[6]2O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(C[6]C[6]HH)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6,6]C[6]2O[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,5|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(C[6]C[6]HH)(C[6]C[6]O){1|C<4>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	118.6420	0.000	1	118.6420	0.000	1	118.6420	0.000	1	118.6420	0.000	1	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	3:4:3:	3:3:2:1:	3:3:2:	C[6a,6a]-3:C[6,6]-4:C[6,6a]-3:	C[6,6a]-3:N[6,6]-3:O[6]-2:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6]N[6,6]O[6]H)(C[6,6a]C[6a]O[6])	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(N[6,6]C[6,6]H)(O[6]C[6,6a])(H)	C[6,6a](C[6,6a]C[6a,6a]C[6,6])(C[6a]C[6a]H)(O[6]C[6,6])	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6]N[6,6]O[6]H)(C[6,6a]C[6a]O[6]){1|C<4>,3|H<1>,4|C<3>}	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(N[6,6]C[6,6]H)(O[6]C[6,6a])(H){1|H<1>,1|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6,6])(C[6a]C[6a]H)(O[6]C[6,6]){1|N<3>,1|O<2>,3|C<3>,3|H<1>}	119.3075	0.107	2	119.3075	0.011	2	120.4653	4.027	3	120.4653	4.027	3	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	3:4:3:	3:3:2:1:	3:3:2:	C[6a,6a]-3:C[6,6]-4:C[6,6a]-3:	C[6,6a]-3:N[6,6]-3:O[6]-2:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6]N[6,6]O[6]H)(C[6,6a]C[6a]O[6])	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(N[6,6]P[6,6]C[6])(O[6]C[6,6a])(H)	C[6,6a](C[6,6a]C[6a,6a]C[6,6])(C[6a]C[6a]H)(O[6]P[6,6])	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6]N[6,6]O[6]H)(C[6,6a]C[6a]O[6]){1|C<4>,1|P<4>,2|H<1>,4|C<3>}	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(N[6,6]P[6,6]C[6])(O[6]C[6,6a])(H){1|O<2>,2|H<1>,2|N<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6,6])(C[6a]C[6a]H)(O[6]P[6,6]){1|N<3>,1|O<2>,2|C<3>,2|H<1>,2|N<2>}	122.7810	0.000	1	122.7810	0.000	1	120.4653	4.027	3	120.4653	4.027	3	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	3:4:3:	3:3:2:1:	3:3:3:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a]-3:N[6,6]-3:O[6]-2:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]O[6]H)(C[6a]C[6a,6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(O[6]C[6])(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6]C[6a])(C[6a]C[6a,6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]O[6]H)(C[6a]C[6a,6a]H){1|H<1>,2|C<4>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(O[6]C[6])(H){1|C<4>,4|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6]C[6a])(C[6a]C[6a,6a]H){1|N<3>,1|O<2>,3|H<1>,4|C<3>}	120.5610	0.000	1	120.5610	0.000	1	120.5610	0.000	1	120.5610	0.000	1	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	3:4:3:	3:3:2:2:	3:3:3:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a]-3:C[6]-3:O[6]-2:O[6]-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6,6]C[6]O[6]2)(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(O[6]C[6])2	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6,6]C[6]O[6]2)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>,2|O<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(O[6]C[6])2{1|H<1>,2|O<2>,7|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O){2|H<1>,3|C<3>,3|O<2>}	120.6020	0.000	2	120.6020	0.000	2	120.6020	0.000	2	120.6020	0.000	2	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	3:4:3:	3:3:3:1:	3:3:2:	C[6a,6a]-3:C[6,6]-4:C[6,6a]-3:	C[6,6a]-3:C[6,6a]-3:N[6,6]-3:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6a]O[6])	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]S[6])(H)	C[6,6a](C[6,6a]C[6a,6a]C[6,6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6a]O[6]){1|C<4>,1|S<4>,2|H<1>,5|C<3>}	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]S[6])(H){2|O<1>,2|O<2>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6,6])(C[6a]C[6a]H)(O[6]C[6]){1|N<3>,3|C<3>,4|H<1>}	119.8110	0.000	1	119.8110	0.000	1	119.8110	0.000	1	119.8110	0.000	1	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	3:4:3:	3:3:3:1:	3:3:3:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a]-3:N[3x6]-3:N[6]-3:H-1:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6,6]N[3x6]N[6]H)(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[3x6]C[6,6a]C[3x6])(N[6]C[6,6a]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(N[6,6]C[3x6]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6,6]N[3x6]N[6]H)(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[3x6]C[6,6a]C[3x6])(N[6]C[6,6a]H)(H){1|N<3>,2|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(N[6,6]C[3x6]C[6])(C[6a]C[6a]H){3|C<3>,3|N<3>,5|H<1>}	121.1105	0.033	2	121.1105	0.001	2	121.1105	0.001	2	121.1105	0.001	2	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	3:4:3:	3:3:3:1:	3:3:4:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a]-3:N[6,6]-3:N[6,6]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6,6]N[6,6]2H)(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(N[6,6]C[6]2)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6,6]N[6,6]2H)(C[6a]C[6a]H){2|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(N[6,6]C[6]2)(H){1|O<1>,3|C<3>,3|C<4>,6|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,2|N<3>,5|H<1>}	122.4580	0.000	1	122.4580	0.000	1	121.5546	0.432	8	121.5546	0.432	8	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	3:4:3:	3:3:3:1:	3:3:4:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a]-3:N[6,6]-3:N[6,6]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6,6]N[6,6]2H)(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(N[6,6]C[6]S[6])(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6,6]N[6,6]2H)(C[6a]C[6a]H){1|C<3>,1|S<4>,3|C<4>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(N[6,6]C[6]S[6])(H){2|O<1>,3|C<3>,3|C<4>,6|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,2|N<3>,5|H<1>}	122.5080	0.000	1	122.5080	0.000	1	121.5546	0.432	8	121.5546	0.432	8	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	3:4:3:	3:3:3:1:	3:3:4:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a]-3:N[6,6]-3:N[6,6]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6,6]N[6,6]2H)(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])2(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6,6]N[6,6]2H)(C[6a]C[6a]H){1|C<3>,4|C<4>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])2(H){1|N<3>,2|C<4>,4|C<3>,7|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,2|N<3>,5|H<1>}	121.2452	0.380	6	121.2452	0.145	6	121.5546	0.432	8	121.5546	0.432	8	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	3:4:3:	3:3:3:2:	3:3:2:	C[6a,6a]-3:C[6,6]-4:C[6,6a]-3:	C[6,6a]-3:C[6,6,6a]-3:C[6]-3:O-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6]C[6,6,6a]C[6]O)(C[6,6a]C[6a]O[6])	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6,6a]C[6,6a]2)(C[6]C[3,6]O)(OC)	C[6,6a](C[6,6a]C[6a,6a]C[6,6])(C[6a]C[6a]H)(O[6]C[6,6a])	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6]C[6,6,6a]C[6]O)(C[6,6a]C[6a]O[6]){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6,6a]C[6,6a]2)(C[6]C[3,6]O)(OC){1|C<4>,1|H<1>,2|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6,6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,1|O<2>,5|C<3>}	119.7210	0.632	2	119.7210	0.400	2	120.1034	0.237	7	120.1034	0.237	7	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	3:4:3:	3:3:3:2:	3:3:2:	C[6a,6a]-3:C[6,6]-4:C[6,6a]-3:	C[6,6a]-3:C[6,6,6a]-3:C[6]-3:O-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6]C[6,6,6a]C[6]O)(C[6,6a]C[6a]O[6])	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6,6a]C[6,6a]2)(C[6]C[6]O)(OC)	C[6,6a](C[6,6a]C[6a,6a]C[6,6])(C[6a]C[6a]C)(O[6]C[6,6a])	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6]C[6,6,6a]C[6]O)(C[6,6a]C[6a]O[6]){1|C<4>,1|H<1>,1|O<1>,6|C<3>}	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6,6a]C[6,6a]2)(C[6]C[6]O)(OC){1|H<1>,1|O<2>,6|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6,6])(C[6a]C[6a]C)(O[6]C[6,6a]){1|H<1>,1|O<2>,5|C<3>}	120.1170	0.000	1	120.1170	0.000	1	120.1034	0.237	7	120.1034	0.237	7	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	3:4:3:	3:3:3:2:	3:3:2:	C[6a,6a]-3:C[6,6]-4:C[6,6a]-3:	C[6,6a]-3:C[6,6,6a]-3:C[6]-3:O-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6]C[6,6,6a]C[6]O)(C[6,6a]C[6a]O[6])	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6,6a]C[6,6a]2)(C[6]C[6]O)(OC)	C[6,6a](C[6,6a]C[6a,6a]C[6,6])(C[6a]C[6a]H)(O[6]C[6,6a])	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6]C[6,6,6a]C[6]O)(C[6,6a]C[6a]O[6]){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6,6a]C[6,6a]2)(C[6]C[6]O)(OC){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6,6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,1|O<2>,5|C<3>}	120.9430	0.000	1	120.2913	0.197	4	120.1034	0.237	7	120.1034	0.237	7	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	3:4:3:	3:3:3:2:	3:3:2:	C[6a,6a]-3:C[6,6]-4:C[6,6a]-3:	C[6,6a]-3:C[6,6,6a]-3:C[6]-3:O-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6]C[6,6,6a]C[6]O)(C[6,6a]C[6a]O[6])	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6,6a]C[6,6a]2)(C[6]C[6]O)(OC)	C[6,6a](C[6,6a]C[6a,6a]C[6,6])(C[6a]C[6a]H)(O[6]C[6,6a])	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6]C[6,6,6a]C[6]O)(C[6,6a]C[6a]O[6]){1|O<1>,2|H<1>,6|C<3>}	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6,6a]C[6,6a]2)(C[6]C[6]O)(OC){1|C<4>,1|O<2>,6|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6,6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,1|O<2>,5|C<3>}	120.2000	0.000	1	120.2913	0.197	4	120.1034	0.237	7	120.1034	0.237	7	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	3:4:3:	3:3:3:2:	3:3:2:	C[6a,6a]-3:C[6,6]-4:C[6,6a]-3:	C[6,6a]-3:C[6,6,6a]-3:C[6]-3:O-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6]C[6,6,6a]C[6]O)(C[6,6a]C[6a]O[6])	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6,6a]C[6,6a]2)(C[6]C[6]O)(OC)	C[6,6a](C[6,6a]C[6a,6a]C[6,6])(C[6a]C[6a]H)(O[6]C[6,6a])	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6]C[6,6,6a]C[6]O)(C[6,6a]C[6a]O[6]){1|O<1>,2|H<1>,6|C<3>}	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6,6a]C[6,6a]2)(C[6]C[6]O)(OC){1|H<1>,1|O<2>,6|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6,6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,1|O<2>,5|C<3>}	120.0180	0.000	1	120.2913	0.197	4	120.1034	0.237	7	120.1034	0.237	7	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	3:4:3:	3:3:3:2:	3:3:2:	C[6a,6a]-3:C[6,6]-4:C[6,6a]-3:	C[6,6a]-3:C[6,6,6a]-3:C[6]-3:O-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6]C[6,6,6a]C[6]O)(C[6,6a]C[6a]O[6])	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6,6a]C[6,6a]2)(C[6]C[6]O)(OC)	C[6,6a](C[6,6a]C[6a,6a]C[6,6])(C[6a]C[6a]H)(O[6]C[6,6a])	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6]C[6,6,6a]C[6]O)(C[6,6a]C[6a]O[6]){1|O<1>,2|H<1>,6|C<3>}	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6,6a]C[6,6a]2)(C[6]C[6]O)(OC){1|O<2>,7|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6,6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,1|O<2>,5|C<3>}	120.0040	0.000	1	120.2913	0.197	4	120.1034	0.237	7	120.1034	0.237	7	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	3:4:3:	3:3:3:3:	3:3:2:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6,6]C[6,6a]3)(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])4	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]O[6])(C[6,6]C[6,6a]3)(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])4{2|H<1>,4|O<2>,8|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a]){2|H<1>,5|C<3>}	122.6315	0.343	2	122.6315	0.118	2	122.5267	0.080	4	124.3480	1.173	18	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	3:4:3:	3:3:3:3:	3:3:2:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6,6]C[6,6a]3)(C[6a]C[6a]O)	C[6,6](C[6,6a]C[6,6a]C[6a])4	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]O[6])(C[6,6]C[6,6a]3)(C[6a]C[6a]O){2|H<1>,7|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])4{2|H<1>,4|O<2>,8|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,1|O<2>,5|C<3>}	122.4220	0.281	2	122.4220	0.079	2	122.5267	0.080	4	124.3480	1.173	18	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	3:4:3:	3:3:3:3:	3:3:2:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a](C[6,6a]C[6a]S[6])(C[6,6]C[6,6a]3)(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])4	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]C)(S[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]S[6])(C[6,6]C[6,6a]3)(C[6a]C[6a]H){2|C<4>,7|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])4{1|C<4>,1|S<2>,4|H<1>,8|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]C)(S[6]C[6,6a]){2|H<1>,5|C<3>}	125.4870	0.443	2	125.4870	0.196	2	124.8684	0.203	14	124.3480	1.173	18	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	3:4:3:	3:3:3:3:	3:3:2:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a](C[6,6a]C[6a]S[6])(C[6,6]C[6,6a]3)(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])4	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(S[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]S[6])(C[6,6]C[6,6a]3)(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])4{1|C<4>,1|S<2>,4|H<1>,8|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(S[6]C[6,6a]){2|H<1>,5|C<3>}	124.7320	0.223	2	124.7652	0.141	12	124.8684	0.203	14	124.3480	1.173	18	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	3:4:3:	3:3:3:3:	3:3:2:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a](C[6,6a]C[6a]S[6])(C[6,6]C[6,6a]3)(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])4	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(S[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]S[6])(C[6,6]C[6,6a]3)(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])4{1|N<3>,1|S<2>,4|H<1>,8|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(S[6]C[6,6a]){2|H<1>,5|C<3>}	124.6870	0.386	6	124.7652	0.141	12	124.8684	0.203	14	124.3480	1.173	18	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	3:4:3:	3:3:3:3:	3:3:2:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a](C[6,6a]C[6a]S[6])(C[6,6]C[6,6a]3)(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])4	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(S[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]S[6])(C[6,6]C[6,6a]3)(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])4{1|S<2>,1|S<4>,4|H<1>,8|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(S[6]C[6,6a]){2|H<1>,5|C<3>}	124.8992	0.463	4	124.7652	0.141	12	124.8684	0.203	14	124.3480	1.173	18	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	3:4:3:	3:3:3:3:	3:3:3:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6,6]C[6,6a]3)(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])4	C[6,6a](C[6,6a]C[6,6]C[6a])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6,6]C[6,6a]3)(C[6a]C[6a]H){2|H<1>,8|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])4{1|N<3>,1|S<2>,4|H<1>,8|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){1|N<2>,2|H<1>,6|C<3>}	122.2480	0.581	2	122.4882	0.071	17	122.4882	0.071	17	122.4882	0.071	17	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	3:4:3:	3:3:3:3:	3:3:3:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6,6]C[6,6a]3)(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])4	C[6,6a](C[6,6a]C[6,6]C[6a])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6,6]C[6,6a]3)(C[6a]C[6a]H){2|H<1>,8|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])4{1|N<3>,1|S<2>,4|H<1>,8|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,7|C<3>}	122.4705	0.288	4	122.4882	0.071	17	122.4882	0.071	17	122.4882	0.071	17	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	3:4:3:	3:3:3:3:	3:3:3:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6,6]C[6,6a]3)(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])4	C[6,6a](C[6,6a]C[6,6]C[6a])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6,6]C[6,6a]3)(C[6a]C[6a]H){2|H<1>,8|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])4{1|N<3>,1|S<4>,4|H<1>,8|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,7|C<3>}	122.4700	0.124	4	122.4882	0.071	17	122.4882	0.071	17	122.4882	0.071	17	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	3:4:3:	3:3:3:3:	3:3:3:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6,6]C[6,6a]3)(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])4	C[6,6a](C[6,6a]C[6,6]C[6a])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6,6]C[6,6a]3)(C[6a]C[6a]H){2|H<1>,8|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])4{2|N<3>,4|H<1>,8|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,7|C<3>}	122.5773	0.232	7	122.4882	0.071	17	122.4882	0.071	17	122.4882	0.071	17	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	3:4:3:	3:3:3:3:	3:4:3:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:S[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]S[6])(C[6,6]C[6,6a]3)(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])4	C[6,6a](C[6,6a]C[6,6]C[6a])(S[6]C[6,6a]OO)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6,6]C[6,6a]3)(C[6a]C[6a]H){2|H<1>,2|O<1>,7|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])4{1|N<3>,1|S<4>,4|H<1>,8|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(S[6]C[6,6a]OO)(C[6a]C[6a]H){2|H<1>,5|C<3>}	125.9315	0.578	4	125.6714	0.359	8	125.6714	0.359	8	125.6714	0.359	8	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	3:4:3:	3:3:3:3:	3:4:3:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:S[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]S[6])(C[6,6]C[6,6a]3)(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])4	C[6,6a](C[6,6a]C[6,6]C[6a])(S[6]C[6,6a]OO)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6,6]C[6,6a]3)(C[6a]C[6a]H){2|H<1>,2|O<1>,7|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])4{1|S<2>,1|S<4>,4|H<1>,8|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(S[6]C[6,6a]OO)(C[6a]C[6a]H){2|H<1>,5|C<3>}	125.4112	0.568	4	125.6714	0.359	8	125.6714	0.359	8	125.6714	0.359	8	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	3:4:3:	3:3:3:3:	4:3:3:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6,6]C[6,6a]3)(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])4	C[6,6a](C[5,6]C[5,6a]2C[6,6a])(C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6,6]C[6,6a]3)(C[6a]C[6a]H){2|H<1>,9|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])4{1|C<4>,1|S<2>,4|H<1>,8|C<3>}	C[6,6a](C[5,6]C[5,6a]2C[6,6a])(C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H){2|H<1>,9|C<3>}	123.7113	0.585	4	123.7113	0.343	4	123.7113	0.343	4	123.7113	0.343	4	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	3:4:3:	3:3:4:1:	3:3:2:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-3:C[6,6]-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6,6]C[6,6]2H)(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6,6]C[6,6]HH)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6,6]C[6,6]2H)(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6,6]C[6,6]HH)(H){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	119.2250	0.314	2	118.9720	0.241	3	119.6277	1.881	4	118.3834	4.359	8	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	3:4:3:	3:3:4:1:	3:3:2:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-3:C[6,6]-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6,6]C[6,6]2H)(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6,6]C[6,6]HH)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6,6]C[6,6]2H)(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6,6]C[6,6]HH)(H){1|H<1>,1|O<1>,2|C<4>,2|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	118.4660	0.000	1	118.9720	0.241	3	119.6277	1.881	4	118.3834	4.359	8	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	3:4:3:	3:3:4:1:	3:3:2:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-3:C[6,6]-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6,6]C[6,6]2H)(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6,6]C[6,6]2H)(C[6a]C[6a]H){2|C<4>,2|H<1>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(H){1|O<1>,2|C<4>,2|O<2>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,2|C<3>,5|H<1>}	121.5950	0.000	1	121.5950	0.000	1	119.6277	1.881	4	118.3834	4.359	8	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	3:4:3:	3:3:4:1:	3:3:2:	C[6a,6a]-3:C[6,6]-4:C[6,6a]-3:	C[6,6a]-3:C[6,6a]-3:C[3x6]-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6]C[6,6a]C[3x6]H)(C[6,6a]C[6a]O[6])	C[6,6](C[6,6a]C[6a,6a]C[6,6a])2(C[3x6]C[3x6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6,6])(C[6a]C[6a]H)(O[6]C[3x6])	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6]C[6,6a]C[3x6]H)(C[6,6a]C[6a]O[6]){2|C<4>,3|H<1>,5|C<3>}	C[6,6](C[6,6a]C[6a,6a]C[6,6a])2(C[3x6]C[3x6]C[6]H)(H){1|H<1>,4|O<2>,7|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6,6])(C[6a]C[6a]H)(O[6]C[3x6]){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	117.3290	3.442	2	117.3290	11.849	2	117.3290	11.849	2	118.3834	4.359	8	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	3:4:3:	3:3:4:1:	3:3:2:	C[6a,6a]-3:C[6,6]-4:C[6,6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]O[6])	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6,6])(C[6a]C[6a]H)(O[6]C[6,6])	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]O[6]){1|C<4>,4|H<1>,5|C<3>}	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(H){1|H<1>,2|O<2>,6|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6,6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	117.4450	0.000	1	117.4450	0.000	1	116.9490	0.492	2	118.3834	4.359	8	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	3:4:3:	3:3:4:1:	3:3:2:	C[6a,6a]-3:C[6,6]-4:C[6,6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]O[6])	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HO)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6,6])(C[6a]C[6a]H)(O[6]C[6,6])	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]O[6]){1|C<4>,1|O<1>,2|H<1>,2|O<2>,4|C<3>}	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HO)(H){1|C<4>,1|H<1>,1|O<1>,2|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6,6])(C[6a]C[6a]H)(O[6]C[6,6]){2|C<4>,3|C<3>,3|H<1>}	116.4530	0.000	1	116.4530	0.000	1	116.9490	0.492	2	118.3834	4.359	8	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	3:4:3:	3:3:4:1:	3:3:3:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-3:C[6,6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6,6]C[6,6]2H)(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6,6]C[6,6]HH)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6,6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6,6]C[6,6]2H)(C[6a]C[6a]H){1|Cl<1>,2|C<4>,3|C<3>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6,6]C[6,6]HH)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>,2|N<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6,6]C){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	120.3180	0.000	1	120.3180	0.000	1	120.3180	0.000	1	120.3180	0.000	1	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	3:4:3:	3:3:4:1:	3:4:3:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6]-3:C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]H)	C[6,6](C[6,6]C[6,6a]C[6,6])(C[6,6a]C[6,6a]C[6a])(C[6]O[6]HH)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,5|H<1>}	C[6,6](C[6,6]C[6,6a]C[6,6])(C[6,6a]C[6,6a]C[6a])(C[6]O[6]HH)(H){1|C<4>,1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,5|H<1>}	121.5907	0.163	3	121.5907	0.027	3	121.5907	0.027	3	121.1615	0.755	4	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	3:4:3:	3:3:4:1:	3:4:3:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-3:C[6,6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6,6]C[6,6]2H)(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6,6]C[6,6]HH)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6,6]C[6,6]2H)(C[6a]C[6a]H){1|C<4>,3|C<3>,6|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6,6]C[6,6]HH)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>,4|C<4>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	119.8740	0.000	1	119.8740	0.000	1	119.8740	0.000	1	121.1615	0.755	4	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	3:4:3:	3:3:4:1:	4:3:3:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	N[5,3x6]-3:C[6,6a]-3:C[6]-4:H-1:	C[5,6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6,6]N[5,3x6]C[6]H)(C[6a]C[6a]H)	C[6,6](N[5,3x6]C[5,5,3x6]C[5,6])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)	C[6,6a](C[5,6,6]C[5,5,3x6]C[5,6]H)(C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6,6]N[5,3x6]C[6]H)(C[6a]C[6a]H){3|C<3>,3|C<4>,4|H<1>}	C[6,6](N[5,3x6]C[5,5,3x6]C[5,6])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[6,6a](C[5,6,6]C[5,5,3x6]C[5,6]H)(C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,2|N<3>,5|H<1>}	119.3700	0.000	1	119.3700	0.000	1	119.3700	0.000	1	119.3700	0.000	1	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	3:4:3:	3:3:4:2:	3:3:3:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6]-4:O[6]-2:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(C[6]C[6]HH)(O[6]C[6])	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O[6])(C[6a]C[6a]H){1|O<1>,4|H<1>,5|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(C[6]C[6]HH)(O[6]C[6]){1|H<1>,1|O<1>,6|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	119.3010	0.000	1	119.3010	0.000	1	119.3010	0.000	1	119.3010	0.000	1	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	3:4:3:	3:3:4:3:	3:3:2:	C[6a,6a]-3:C[6,6]-4:C[6,6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6]-4:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6]C[6,6a]C[6]2)(C[6,6a]C[6a]O[6])	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a,6a]C[6,6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6]C[6,6a]C[6]2)(C[6,6a]C[6a]O[6]){1|C<4>,1|O<1>,3|H<1>,7|C<3>}	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(C[6]C[6]O){1|O<2>,4|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6,6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,3|H<1>,4|C<3>}	121.9810	0.000	1	121.9810	0.000	1	121.9810	0.000	1	121.9810	0.000	1	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	3:4:3:	3:3:4:3:	4:3:3:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a]-3:C[6]-3:P[6]-4:C[6]-3:	C[5,6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6,6]C[6]2P[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6])(P[6]O[6]NO)(C[6]C[6]H)	C[6,6a](C[5,6,6]C[5,5,6]C[5,6]O[6])(C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6,6]C[6]2P[6])(C[6a]C[6a]H){1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6])(P[6]O[6]NO)(C[6]C[6]H){3|C<3>,3|C<4>,3|H<1>}	C[6,6a](C[5,6,6]C[5,5,6]C[5,6]O[6])(C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H){1|P<4>,2|H<1>,3|C<3>,6|C<4>}	125.6350	0.000	1	125.6350	0.000	1	125.6350	0.000	1	125.6350	0.000	1	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	3:4:3:	3:3:4:4:	3:3:3:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6]-4:C[6]-4:	C[6,6a]-3:C[6,6a]-3:N[6a]-3:	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6]2N[6])(C[6a]C[6a,6a]O)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]H)(C[6]C[6]HH)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6]C[6a])(N[6a]C[6a,6a]H)	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6]2N[6])(C[6a]C[6a,6a]O){2|C<4>,4|C<3>,6|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]H)(C[6]C[6]HH)2{1|C<4>,1|N<3>,1|O<1>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6]C[6a])(N[6a]C[6a,6a]H){1|H<1>,1|N<3>,1|O<1>,2|C<4>,4|C<3>}	120.7060	0.438	2	120.7060	0.192	2	120.7060	0.192	2	120.7060	0.192	2	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	3:4:3:	3:4:2:1:	3:3:2:	C[6a,6a]-3:C[6,6]-4:C[6,6a]-3:	C[6,6a]-3:C[5,6,6]-4:O[6]-2:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6]C[5,6,6]O[6]H)(C[6,6a]C[6a]O[6])	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6,6]C[5,6]2H)(O[6]C[6])(H)	C[6,6a](C[6,6a]C[6a,6a]C[6,6])(C[6a]C[6a]H)(O[6]C[5,6])	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6]C[5,6,6]O[6]H)(C[6,6a]C[6a]O[6]){1|O<2>,2|H<1>,3|C<3>,3|C<4>}	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6,6]C[5,6]2H)(O[6]C[6])(H){2|H<1>,2|O<2>,3|C<3>,4|C<4>}	C[6,6a](C[6,6a]C[6a,6a]C[6,6])(C[6a]C[6a]H)(O[6]C[5,6]){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	116.6045	2.559	2	116.6045	6.549	2	116.6045	6.549	2	116.6045	6.549	2	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	3:4:3:	3:4:2:1:	3:3:3:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6]C[6,6]O[6]H)(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(O[6]C[6])(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6,6a]C[6,6a]C[6])(N[6]C[6,6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6]C[6,6]O[6]H)(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(O[6]C[6])(H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6,6a]C[6,6a]C[6])(N[6]C[6,6]H){1|O<1>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	116.7260	0.000	1	117.7355	2.038	2	117.7355	2.038	2	118.8557	1.081	7	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	3:4:3:	3:4:2:1:	3:3:3:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6]C[6,6]O[6]H)(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(O[6]C[6])(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6,6a]C[6,6a]C[6])(N[6]C[6,6]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6]C[6,6]O[6]H)(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(O[6]C[6])(H){1|N<3>,2|C<3>,2|H<1>,3|C<4>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6,6a]C[6,6a]C[6])(N[6]C[6,6]H){1|O<1>,1|O<2>,2|H<1>,3|C<3>,3|C<4>}	118.7450	0.000	1	117.7355	2.038	2	117.7355	2.038	2	118.8557	1.081	7	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	3:4:3:	3:4:2:1:	3:3:3:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:O[6]-2:H-1:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6,6]C[6,6]O[6]H)(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5a,6]C[6]H)(O[6]C[6])(H)	C[6,6a](N[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6,6]C[6,6]O[6]H)(C[6a]C[6a]H){1|N<2>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5a,6]C[6]H)(O[6]C[6])(H){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	C[6,6a](N[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	118.8260	0.000	1	118.8260	0.000	1	118.8260	0.000	1	118.8557	1.081	7	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	3:4:3:	3:4:2:1:	3:3:3:	C[6a,6a]-3:C[6,6]-4:C[6,6a]-3:	C[6,6a]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]N[6])	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6]2H)(O[6]C[6])(H)	C[6,6a](C[6,6a]C[6a,6a]C[6,6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]N[6]){3|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6]2H)(O[6]C[6])(H){1|C<4>,1|N<3>,4|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a,6a]C[6,6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	119.0430	0.000	1	119.0430	0.000	1	119.4232	0.216	4	118.8557	1.081	7	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	3:4:3:	3:4:2:1:	3:3:3:	C[6a,6a]-3:C[6,6]-4:C[6,6a]-3:	C[6,6a]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]N[6])	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6]2H)(O[6]C[6])(H)	C[6,6a](C[6,6a]C[6a,6a]C[6,6])(C[6a]O[6a]O)(N[6]C[6]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]N[6]){1|O<1>,1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6]2H)(O[6]C[6])(H){1|C<4>,1|N<3>,4|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a,6a]C[6,6])(C[6a]O[6a]O)(N[6]C[6]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	119.5500	0.477	3	119.5500	0.227	3	119.4232	0.216	4	118.8557	1.081	7	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	3:4:3:	3:4:2:1:	3:3:4:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:O[6]-2:H-1:	C[5,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[5,6a]C[6])(C[6,6]C[6,6]O[6]H)(C[6a]C[6a]O)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]N[6]H)(O[6]C[6])(H)	C[6,6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6]C[6a])(C[6]N[6]CH)	C[6,6a](C[6,6a]C[5,6a]C[6])(C[6,6]C[6,6]O[6]H)(C[6a]C[6a]O){1|N<3>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]N[6]H)(O[6]C[6])(H){2|C<3>,2|O<2>,3|C<4>,3|H<1>}	C[6,6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6]C[6a])(C[6]N[6]CH){1|C<3>,2|C<4>,2|H<1>,3|O<2>}	120.0610	0.000	1	120.0610	0.000	1	120.0610	0.000	1	120.0610	0.000	1	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	3:4:3:	3:4:2:1:	4:3:3:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:O[6]-2:H-1:	C[5,5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,5,6]C[6a])(C[6,6]C[6,6]O[6]H)(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,5,6,6]HH)(O[6]C[6])(H)	C[6,6a](C[5,5,6]C[5,5,6,6]C[5]2)(C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[5,5,6]C[6a])(C[6,6]C[6,6]O[6]H)(C[6a]C[6a]H){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,5,6,6]HH)(O[6]C[6])(H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[5,5,6]C[5,5,6,6]C[5]2)(C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O){1|N<3>,2|C<3>,2|O<2>,3|C<4>,6|H<1>}	120.7763	0.131	3	120.1993	1.344	4	120.1993	1.344	4	119.5480	1.825	6	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	3:4:3:	3:4:2:1:	4:3:3:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:O[6]-2:H-1:	C[5,5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,5,6]C[6a])(C[6,6]C[6,6]O[6]H)(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,5,6,6]HH)(O[6]C[6])(H)	C[6,6a](C[5,5,6]C[5,5,6,6]C[5]2)(C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[5,5,6]C[6a])(C[6,6]C[6,6]O[6]H)(C[6a]C[6a]H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,5,6,6]HH)(O[6]C[6])(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>}	C[6,6a](C[5,5,6]C[5,5,6,6]C[5]2)(C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O){1|N<3>,2|C<3>,2|O<2>,3|C<4>,6|H<1>}	118.4680	0.000	1	120.1993	1.344	4	120.1993	1.344	4	119.5480	1.825	6	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	3:4:3:	3:4:2:1:	4:3:3:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:O[6,6]-2:H-1:	C[3x6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[3x6]C[6a])(C[6,6]O[6,6]C[6]H)(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[3x6]HH)(O[6,6]C[4x6])(H)	C[6,6a](C[3x6]C[3x6]C[4x6]O)(C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[3x6]C[6a])(C[6,6]O[6,6]C[6]H)(C[6a]C[6a]H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[3x6]HH)(O[6,6]C[4x6])(H){1|H<1>,2|C<3>,2|O<2>,3|C<4>}	C[6,6a](C[3x6]C[3x6]C[4x6]O)(C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H){2|C<3>,2|O<2>,3|C<4>,4|H<1>}	118.2455	0.066	2	118.2455	0.004	2	118.2455	0.004	2	119.5480	1.825	6	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	3:4:3:	3:4:2:2:	3:3:3:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:O[6]-2:O-2:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]O)(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]O[6]O)(O[6]C[6,6a])(OC[5])	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]O)(C[6a]C[6a]H){2|H<1>,2|O<2>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]O[6]O)(O[6]C[6,6a])(OC[5]){1|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H){1|C<4>,2|O<2>,3|C<3>,3|H<1>}	119.0825	0.613	4	119.0825	0.375	4	119.0825	0.375	4	118.8500	0.552	5	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	3:4:3:	3:4:2:2:	3:3:3:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:O[6]-2:O[6]-2:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]2)(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CH)(O[6]C[6])2	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]2)(C[6a]C[6a]H){3|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CH)(O[6]C[6])2{1|C<4>,4|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,2|O<2>,4|C<3>}	117.9200	0.000	1	117.9200	0.000	1	117.9200	0.000	1	118.8500	0.552	5	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	3:4:3:	3:4:2:2:	3:3:4:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:S[6]-2:S[6]-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6,6]C[6]S[6]2)(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(S[6]C[6])2	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6,6]C[6]S[6]2)(C[6a]C[6a]H){1|C<3>,1|N<3>,3|C<4>,5|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(S[6]C[6])2{2|C<3>,2|C<4>,7|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,2|S<2>,4|H<1>}	121.6250	0.000	1	121.6250	0.000	1	121.6250	0.000	1	121.6250	0.000	1	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	3:4:3:	3:4:2:3:	3:3:2:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:O[6]-2:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6,6]C[6]2O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(O[6]C[6,6a])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6,6]C[6]2O[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,5|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(O[6]C[6,6a])(C[6]C[6]H){1|C<4>,1|H<1>,1|O<2>,6|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	120.5950	0.000	1	120.5950	0.000	1	120.7055	0.024	2	120.7055	0.024	2	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	3:4:3:	3:4:2:3:	3:3:2:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:O[6]-2:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6,6]C[6]2O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(O[6]C[6,6a])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6,6]C[6]2O[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,5|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(O[6]C[6,6a])(C[6]C[6]H){1|H<1>,2|O<2>,6|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	120.8160	0.000	1	120.8160	0.000	1	120.7055	0.024	2	120.7055	0.024	2	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	3:4:3:	3:4:3:1:	3:3:2:	C[6a,6a]-3:C[6,6]-4:C[6,6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6]2H)(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6,6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6]){2|C<4>,4|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6]2H)(C[6]C[6]H)(H){2|C<4>,2|H<1>,2|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6,6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,3|C<3>,4|H<1>}	120.4420	0.000	1	120.4420	0.000	1	120.4420	0.000	1	120.4420	0.000	1	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	3:4:3:	3:4:3:1:	3:3:3:	C[6a,6a]-3:C[6,6]-4:C[6,6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]N[6])	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]HH)(C[6]C[6]O)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6,6])(C[6a]C[6a]H)(N[6]C[6,6]C)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]N[6]){1|O<1>,3|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]HH)(C[6]C[6]O)(H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a,6a]C[6,6])(C[6a]C[6a]H)(N[6]C[6,6]C){1|Br<1>,2|C<4>,2|H<1>,3|C<3>}	119.3770	0.000	1	119.3770	0.000	1	119.3770	0.000	1	119.3770	0.000	1	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	3:4:3:	3:4:3:1:	3:3:4:	C[6a,6a]-3:C[6,6]-4:C[6,6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6]2H)(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6,6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6]){2|C<4>,4|C<3>,6|H<1>}	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6]2H)(C[6]C[6]H)(H){2|C<4>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6,6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,2|H<1>,5|C<3>}	121.3770	0.000	1	121.3770	0.000	1	121.3770	0.000	1	121.3770	0.000	1	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	3:4:3:	3:4:3:1:	4:3:3:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3,6,6]HH)(C[6]C[6]S)(H)	C[6,6a](C[3,6]C[3,6,6]C[3,6]H)(C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]H){1|O<2>,1|S<4>,2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3,6,6]HH)(C[6]C[6]S)(H){2|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[3,6]C[3,6,6]C[3,6]H)(C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O){1|C<4>,4|C<3>,4|H<1>}	116.8950	0.000	1	116.8950	0.000	1	116.8950	0.000	1	116.8950	0.000	1	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	3:4:3:	3:4:3:2:	3:3:3:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6]-3:O[6]-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6,6]C[6]2O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(C[6]N[6]O)(O[6]C[6])	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6,6]C[6]2O[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,2|O<1>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(C[6]N[6]O)(O[6]C[6]){3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	119.7500	0.000	1	119.7500	0.000	1	120.3880	0.814	2	120.3880	0.814	2	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	3:4:3:	3:4:3:2:	3:3:3:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6]-3:O[6]-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6,6]C[6]2O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(C[6]N[6]O)(O[6]C[6])	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6,6]C[6]2O[6])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,2|O<1>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(C[6]N[6]O)(O[6]C[6]){1|C<4>,4|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	121.0260	0.000	1	121.0260	0.000	1	120.3880	0.814	2	120.3880	0.814	2	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	3:4:3:	3:4:3:3:	3:3:2:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6,6]C[6]3)(C[6a]C[6a]C)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(C[6]C[6]H)2	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6,6]C[6]3)(C[6a]C[6a]C){1|C<4>,1|O<2>,3|C<3>,5|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(C[6]C[6]H)2{2|H<1>,3|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)(O[6]C[6]){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	119.6620	0.000	1	119.6620	0.000	1	119.6620	0.000	1	119.6620	0.000	1	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	3:4:3:	3:4:3:3:	3:3:4:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6,6]C[6]2N[6])(C[6a]C[5,6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(C[6]C[6]Cl)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5,6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6,6]C[6]2N[6])(C[6a]C[5,6a]H){1|Cl<1>,1|O<2>,2|C<3>,3|C<4>,5|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(C[6]C[6]Cl)(N[6]C[6]C){2|C<3>,2|C<4>,6|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5,6a]H)(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<2>,2|C<3>,3|H<1>}	121.4840	0.000	1	121.4840	0.000	1	121.4840	0.000	1	121.4840	0.000	1	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	3:4:3:	3:4:3:3:	3:4:3:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[6]-3:C[6]-3:	C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6,6]C[5,6]C[6]2)(C[6a]C[5,6a]O)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]O[5,6]C[5]H)(C[6]C[6]H)2	C[6,6a](C[6,6a]C[6,6]C[6a])(C[5,6]O[5,6]C[5]H)(C[6a]C[5,6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6,6]C[5,6]C[6]2)(C[6a]C[5,6a]O){2|C<4>,2|O<2>,3|C<3>,5|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]O[5,6]C[5]H)(C[6]C[6]H)2{1|H<1>,3|C<3>,3|C<4>,3|O<2>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[5,6]O[5,6]C[5]H)(C[6a]C[5,6a]H){1|H<1>,2|O<2>,3|C<3>,3|C<4>}	115.4060	0.000	1	115.4060	0.000	1	115.4060	0.000	1	115.4060	0.000	1	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	3:4:3:	3:4:3:4:	3:3:3:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-3:C-4:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]H)(C[6]C[6]O)(CH3)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(C[6a]C[6a]H){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]H)(C[6]C[6]O)(CH3){1|C<4>,4|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	116.9760	0.000	1	116.9760	0.000	1	116.9760	0.000	1	116.9760	0.000	1	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	3:4:3:	3:4:3:4:	3:3:4:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-3:C-4:	C[5,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[5,6a]C[6])(C[6,6]C[6,6]C[6]C)(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)(C[6]C[6]O)(CH3)	C[6,6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6]C[6a])(C[6]N[6]HH)	C[6,6a](C[6,6a]C[5,6a]C[6])(C[6,6]C[6,6]C[6]C)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)(C[6]C[6]O)(CH3){2|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6]C[6a])(C[6]N[6]HH){1|H<1>,1|O<2>,2|C<3>,4|C<4>}	118.0310	0.000	1	118.0310	0.000	1	118.0310	0.000	1	118.0310	0.000	1	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	3:4:3:	3:4:4:1:	3:2:4:	C[6a]-3:C[6,6]-4:C[6,6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6a]-3:N[6a]-2:C[6]-4:	C[6,6a](C[6a]C[6a,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6,6a]N[6a]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6,6a]HH)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(N[6a]C[6a,6a])(C[6]C[6,6]HH)	C[6,6a](C[6a]C[6a,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6,6a]N[6a]C[6]){1|C<4>,5|C<3>,6|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6,6a]HH)(H){1|C<4>,1|H<1>,2|N<2>,3|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(N[6a]C[6a,6a])(C[6]C[6,6]HH){2|C<4>,2|H<1>,4|C<3>}	120.2180	0.195	4	120.2180	0.038	4	120.2180	0.038	4	120.2180	0.038	4	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	3:4:3:	3:4:4:1:	3:3:2:	C[5,6a]-3:C[6,6]-4:C[6,6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[5,6a]C[5,6a]C[5])(C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])	C[6,6](C[6,6a]C[5,6a]C[6,6a])(C[6,6]C[6,6]HH)(C[6]C[6]CH)(H)	C[6,6a](C[6,6a]C[5,6a]C[6,6])(C[6a]C[6a]H)(O[6]C[6,6])	C[6,6a](C[5,6a]C[5,6a]C[5])(C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6]){1|O<1>,1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6a]C[5,6a]C[6,6a])(C[6,6]C[6,6]HH)(C[6]C[6]CH)(H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[5,6a]C[6,6])(C[6a]C[6a]H)(O[6]C[6,6]){1|H<1>,1|O<2>,2|C<3>,4|C<4>}	119.2550	0.000	1	119.2550	0.000	1	119.2550	0.000	1	120.6565	2.280	16	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	3:4:3:	3:4:4:1:	3:3:2:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6,6]-4:H-1:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6,6]C[6,6]2H)(C[6a]O[6a]O)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]HH)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6]C[6a])(O[6]C[6,6])	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6,6]C[6,6]2H)(C[6a]O[6a]O){2|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]HH)(H){1|H<1>,1|O<1>,2|C<3>,3|O<2>,4|C<4>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6]C[6a])(O[6]C[6,6]){1|H<1>,1|O<1>,1|O<2>,2|C<3>,5|C<4>}	121.7550	0.267	2	121.7550	0.071	2	121.7550	0.071	2	120.6565	2.280	16	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	3:4:3:	3:4:4:1:	3:3:2:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6a,6a]-3:C[6,6a]-3:N[6]-2:	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]HO)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6]C[6a])(N[6]C[6,6])	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]HO)(H){1|N<2>,1|O<2>,2|C<3>,4|H<1>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6]C[6a])(N[6]C[6,6]){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	119.2000	0.000	1	119.2000	0.000	1	119.2000	0.000	1	120.6565	2.280	16	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	3:4:3:	3:4:4:1:	3:3:2:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6,6]C[6,6]C[6]H)(C[6a]N[6a]O)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]ClH)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6]C[6a])(O[6]C[6])	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6,6]C[6,6]C[6]H)(C[6a]N[6a]O){1|Cl<1>,2|C<3>,2|H<1>,4|C<4>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]ClH)(H){1|C<3>,1|N<3>,1|O<1>,2|H<1>,2|O<2>,4|C<4>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6]C[6a])(O[6]C[6]){1|N<3>,1|O<1>,2|C<3>,2|H<1>,4|C<4>}	121.6732	0.401	4	121.6732	0.160	4	121.1971	1.465	10	120.6565	2.280	16	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	3:4:3:	3:4:4:1:	3:3:2:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6,6]C[6,6]C[6]H)(C[6a]N[6a]O)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HO)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6]C[6a])(O[6]C[6])	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6,6]C[6,6]C[6]H)(C[6a]N[6a]O){1|O<2>,2|C<3>,2|H<1>,4|C<4>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HO)(H){1|C<3>,1|N<3>,1|O<1>,2|H<1>,2|O<2>,4|C<4>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6]C[6a])(O[6]C[6]){1|N<3>,1|O<1>,2|C<3>,2|H<1>,4|C<4>}	121.3595	0.159	2	121.3595	0.025	2	121.1971	1.465	10	120.6565	2.280	16	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	3:4:3:	3:4:4:1:	3:3:2:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6,6]C[6,6]C[6]H)(C[6a]O[6a]O)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6]C[6a])(O[6]C[6])	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6,6]C[6,6]C[6]H)(C[6a]O[6a]O){2|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H){1|H<1>,1|O<1>,2|C<3>,3|O<2>,4|C<4>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6]C[6a])(O[6]C[6]){1|H<1>,1|O<1>,1|O<2>,2|C<3>,5|C<4>}	120.5910	3.042	2	120.5910	9.254	2	121.1971	1.465	10	120.6565	2.280	16	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	3:4:3:	3:4:4:1:	3:3:2:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6,6]C[6,6]C[6]H)(C[6a]O[6a]O)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]HH)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6]C[6a])(O[6]C[6,6])	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6,6]C[6,6]C[6]H)(C[6a]O[6a]O){2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>,3|O<2>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6]C[6a])(O[6]C[6,6]){1|O<1>,2|C<3>,2|H<1>,2|O<2>,3|C<4>}	119.9090	0.000	1	119.9090	0.000	1	121.1971	1.465	10	120.6565	2.280	16	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	3:4:3:	3:4:4:1:	3:3:2:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6,6]C[6,6]C[6]H)(C[6a]O[6a]O)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6]C[6a])(O[6]C[6])	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6,6]C[6,6]C[6]H)(C[6a]O[6a]O){2|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|O<2>,3|H<1>,4|C<4>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6]C[6a])(O[6]C[6]){1|O<1>,1|O<2>,2|C<3>,2|H<1>,4|C<4>}	121.4680	0.000	1	121.4680	0.000	1	121.1971	1.465	10	120.6565	2.280	16	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	3:4:3:	3:4:4:1:	3:3:2:	C[6a,6a]-3:C[6,6]-4:C[6,6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]HH)(C[6]C[6]HO)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6,6])(C[6a]C[6a]H)(O[6]C[6,6])	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6]){1|O<2>,2|C<4>,3|C<3>,5|H<1>}	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]HH)(C[6]C[6]HO)(H){1|C<4>,2|H<1>,2|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6,6])(C[6a]C[6a]H)(O[6]C[6,6]){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	118.2840	0.506	2	118.2840	0.256	2	118.2840	0.256	2	120.6565	2.280	16	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	3:4:3:	3:4:4:1:	3:3:3:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]2H)(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]H){1|C<4>,4|C<3>,5|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]2H)(C[6]C[6]HH)(H){3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	118.7150	0.000	1	118.7150	0.000	1	118.9474	1.357	8	118.7328	1.602	9	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	3:4:3:	3:4:4:1:	3:3:3:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]C)(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]H){2|C<4>,4|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]C)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	117.0660	0.000	1	117.0660	0.000	1	118.9474	1.357	8	118.7328	1.602	9	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	3:4:3:	3:4:4:1:	3:3:3:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]H)(C[6]C[5,6]HO)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]H){2|C<4>,2|O<2>,3|C<3>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]H)(C[6]C[5,6]HO)(H){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	120.0857	0.591	3	120.0857	0.349	3	118.9474	1.357	8	118.7328	1.602	9	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	3:4:3:	3:4:4:1:	3:3:3:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]H)(C[6]N[5,6]HH)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<2>,3|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]H)(C[6]N[5,6]HH)(H){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	118.5137	0.615	3	118.5137	0.378	3	118.9474	1.357	8	118.7328	1.602	9	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	3:4:3:	3:4:4:1:	3:3:3:	C[6a,6a]-3:C[6,6]-4:C[6,6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6]3)(C[6]O[6]HH)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6,6])(C[6a]O[6a]O)(C[6]C[6]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6]){1|O<1>,2|C<4>,2|O<2>,3|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6]3)(C[6]O[6]HH)(H){3|C<4>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6,6])(C[6a]O[6a]O)(C[6]C[6]H){1|H<1>,2|C<4>,3|C<3>}	117.0160	0.000	1	117.0160	0.000	1	117.0160	0.000	1	118.7328	1.602	9	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	3:4:3:	3:4:4:1:	3:3:4:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[5,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[5,6a]C[6])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)(C[6]C[6]HO)(H)	C[6,6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6]C[6a])(C[6]N[6]HH)	C[6,6a](C[6,6a]C[5,6a]C[6])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,2|O<2>,5|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)(C[6]C[6]HO)(H){1|C<4>,4|C<3>,4|H<1>}	C[6,6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6]C[6a])(C[6]N[6]HH){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	120.6940	0.000	1	120.6940	0.000	1	120.6940	0.000	1	120.6940	0.000	1	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	3:4:3:	3:4:4:1:	4:3:2:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6a]-3:N[6a]-2:	C[6,6a](C[6,6a]C[5,6]N[6a])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[5,6,6]HH)(C[6]C[5,6,6]HH)(H)	C[6,6a](C[5,6]N[5,6,6]C[5,6]H)(C[6,6a]C[6,6]C[6a])(N[6a]C[6a])	C[6,6a](C[6,6a]C[5,6]N[6a])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]H){1|C<3>,1|N<4>,2|C<4>,6|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[5,6,6]HH)(C[6]C[5,6,6]HH)(H){1|C<3>,1|N<2>,3|C<4>,3|H<1>}	C[6,6a](C[5,6]N[5,6,6]C[5,6]H)(C[6,6a]C[6,6]C[6a])(N[6a]C[6a]){1|C<3>,1|O<2>,4|H<1>,5|C<4>}	115.9130	0.000	1	115.9130	0.000	1	115.9130	0.000	1	115.9130	0.000	1	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	3:4:3:	3:4:4:1:	4:3:3:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6,6]HH)(C[6]C[6]HH)(H)	C[6,6a](C[5,6]C[5,6,6]C[5]H)(C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]H){2|C<3>,2|C<4>,7|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6,6]HH)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6,6a](C[5,6]C[5,6,6]C[5]H)(C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<2>,3|C<4>,5|H<1>}	123.0240	0.000	1	123.0240	0.000	1	123.0240	0.000	1	123.0240	0.000	1	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	3:4:3:	3:4:4:2:	3:3:3:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6]-4:O[6]-2:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6,6]C[6]2O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(C[6]C[6]HO)(O[6]C[6])	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6,6]C[6]2O[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(C[6]C[6]HO)(O[6]C[6]){1|C<4>,1|N<3>,1|O<1>,2|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	117.3330	0.000	1	117.3330	0.000	1	117.0510	0.159	2	117.0510	0.159	2	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	3:4:3:	3:4:4:2:	3:3:3:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6]-4:O[6]-2:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6,6]C[6]2O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(C[6]N[6]HH)(O[6]C[6])	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6,6]C[6]2O[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,7|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(C[6]N[6]HH)(O[6]C[6]){1|C<4>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	116.7690	0.000	1	116.7690	0.000	1	117.0510	0.159	2	117.0510	0.159	2	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	3:4:3:	3:4:4:2:	3:3:4:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6]-4:O[6]-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6,6]C[6]2O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)2(O[6]C[6,6])	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6,6]C[6]2O[6])(C[6a]C[6a]H){2|C<3>,3|C<4>,7|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)2(O[6]C[6,6]){3|C<3>,3|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	121.3350	0.000	1	121.3350	0.000	1	121.3350	0.000	1	121.7475	0.340	2	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	3:4:3:	3:4:4:2:	3:3:4:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6]-4:S[6]-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6,6]C[6]2S[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(C[6]C[6]HH)(S[6]C[6])	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6,6]C[6]2S[6])(C[6a]C[6a]H){2|C<3>,3|C<4>,7|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(C[6]C[6]HH)(S[6]C[6]){1|C<4>,1|N<2>,1|N<3>,2|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|S<2>,2|C<4>,4|H<1>}	122.1600	0.000	1	122.1600	0.000	1	122.1600	0.000	1	121.7475	0.340	2	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	3:4:3:	3:4:4:2:	3:4:3:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6]-4:O[6]-2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6,6]C[6]2O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)2(O[6]O[6])	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6a]O[6]N)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6,6]C[6]2O[6])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,6|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)2(O[6]O[6]){2|C<3>,2|C<4>,5|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6a]O[6]N)(C[6a]C[6a]H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	120.2530	0.000	1	120.2530	0.000	1	120.2530	0.000	1	120.2530	0.000	1	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	3:4:3:	3:4:4:3:	3:3:3:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6]-4:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6,6]C[6]3)(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)2(C[6]N[6]O)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6,6]C[6]3)(C[6a]C[6a]H){1|N<3>,2|O<1>,3|C<3>,6|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)2(C[6]N[6]O){2|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O){2|C<4>,2|H<1>,3|C<3>}	120.5135	0.238	2	120.5135	0.057	2	120.5135	0.057	2	120.1233	0.485	3	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	3:4:3:	3:4:4:3:	3:3:3:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6]-4:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6,6]C[6]3)(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)2(C[6]C[6]O)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6,6]C[6]3)(C[6a]C[6a]H){1|O<1>,2|C<3>,3|C<4>,6|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)2(C[6]C[6]O){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	119.3430	0.000	1	119.3430	0.000	1	119.3430	0.000	1	120.1233	0.485	3	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	3:4:3:	3:4:4:3:	3:4:3:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6]-4:C[6]-3:	C[6,6a]-3:P[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]P[6])(C[6,6]C[6]3)(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)2(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(P[6]C[6a]C[6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]P[6])(C[6,6]C[6]3)(C[6a]C[6a]H){1|O<1>,2|C<4>,3|C<3>,7|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)2(C[6]C[6]H){1|C<4>,1|P<4>,2|C<3>,6|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(P[6]C[6a]C[6]O)(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	124.7960	0.000	1	124.7960	0.000	1	124.7960	0.000	1	124.7960	0.000	1	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	3:4:3:	3:4:4:4:	3:3:4:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[5,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[5,6a]C[6])(C[6,6]C[6,6]C[6]C)(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)(C[6]C[6]HO)(CH3)	C[6,6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6]C[6a])(C[6]N[6]CH)	C[6,6a](C[6,6a]C[5,6a]C[6])(C[6,6]C[6,6]C[6]C)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)(C[6]C[6]HO)(CH3){1|O<2>,2|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6]C[6a])(C[6]N[6]CH){1|C<3>,1|H<1>,1|O<2>,5|C<4>}	120.2070	0.000	1	120.2070	0.000	1	120.2070	0.000	1	122.3362	1.016	13	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	3:4:3:	3:4:4:4:	3:3:4:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[5a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6,6]C[6,6]C[6]C)(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6]C[6a])(C[6]C[6]HH)	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6,6]C[6,6]C[6]C)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|N<2>,3|C<4>,5|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){3|C<3>,3|C<4>,5|H<1>}	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6]C[6a])(C[6]C[6]HH){1|C<3>,1|N<2>,1|S<2>,3|C<4>,3|H<1>}	120.6700	0.000	1	120.6700	0.000	1	120.6700	0.000	1	122.3362	1.016	13	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	3:4:3:	3:4:4:4:	3:3:4:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6,6]C[6,6]C[6]C)(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6]C[6a])(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6,6]C[6,6]C[6]C)(C[6a]C[6a]H){2|C<3>,3|C<4>,6|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(CH3){1|N<3>,2|C<3>,2|C<4>,6|H<1>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6]C[6a])(C[6]C[6]HH){3|C<3>,3|C<4>,4|H<1>}	122.1930	0.000	1	122.1930	0.000	1	122.9007	0.167	7	122.3362	1.016	13	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	3:4:3:	3:4:4:4:	3:3:4:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6,6]C[6,6]C[6]C)(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6]C[6a])(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6,6]C[6,6]C[6]C)(C[6a]C[6a]H){2|C<3>,3|C<4>,6|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){2|C<3>,4|C<4>,5|H<1>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6]C[6a])(C[6]C[6]HH){3|C<3>,3|C<4>,4|H<1>}	123.0245	0.303	4	123.0245	0.092	4	122.9007	0.167	7	122.3362	1.016	13	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	3:4:3:	3:4:4:4:	3:3:4:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6,6]C[6,6]C[6]C)(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6]C[6a])(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6,6]C[6,6]C[6]C)(C[6a]C[6a]H){2|C<3>,3|C<4>,6|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,4|C<4>,5|H<1>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6]C[6a])(C[6]C[6]HH){3|C<3>,3|C<4>,4|H<1>}	123.0070	0.376	2	123.0070	0.142	2	122.9007	0.167	7	122.3362	1.016	13	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	3:4:3:	3:4:4:4:	3:3:4:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6]-4:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6,6]C[6]3)(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(C[6]C[6]HH)2	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6,6]C[6]3)(C[6a]C[6a]H){1|C<3>,1|O<2>,3|C<4>,9|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(C[6]C[6]HH)2{2|C<3>,3|C<4>,6|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,3|C<4>,4|H<1>}	123.2640	0.000	1	123.2640	0.000	1	122.2972	0.546	4	122.3362	1.016	13	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	3:4:3:	3:4:4:4:	3:3:4:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6]-4:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6,6]C[6]3)(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)2(C[6]N[6]HH)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6,6]C[6]3)(C[6a]C[6a]H){10|H<1>,1|C<3>,1|N<3>,2|C<4>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)2(C[6]N[6]HH){1|C<4>,1|O<2>,1|S<4>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]HH){1|C<3>,1|S<4>,2|H<1>,3|C<4>}	122.0110	0.619	2	122.0110	0.384	2	122.2972	0.546	4	122.3362	1.016	13	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	3:4:3:	3:4:4:4:	3:3:4:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6]-4:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6,6]C[6]3)(C[6a]C[6a]O)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)2(C[6]N[6]HH)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6,6]C[6]3)(C[6a]C[6a]O){10|H<1>,1|C<4>,1|N<3>,2|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)2(C[6]N[6]HH){1|C<4>,1|O<2>,1|S<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]HH){1|C<3>,1|S<4>,2|O<2>,3|C<4>}	121.9030	0.000	1	121.9030	0.000	1	122.2972	0.546	4	122.3362	1.016	13	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	3:4:3:	3:4:4:4:	3:4:3:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6,6]C[6,6]C[6]C)(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]HH)(C[6]C[6]HH)(CH3)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6,6]C[3x6]C[6]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6,6]C[6,6]C[6]C)(C[6a]C[6a]H){1|C<3>,3|C<4>,7|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]HH)(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6,6]C[3x6]C[6]H)(C[6a]C[6a]H){1|C<3>,1|O<2>,4|H<1>,5|C<4>}	120.3600	0.000	1	120.3600	0.000	1	120.3600	0.000	1	120.3600	0.000	1	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	3:4:3:	4:3:4:1:	3:4:3:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[3x6]-4:C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6,6]C[3x6]C[6]H)(C[6a]C[6a]H)	C[6,6](C[3x6]C[6,6]C[6]O[6])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6,6]C[6,6]C[6]C)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6,6]C[3x6]C[6]H)(C[6a]C[6a]H){1|C<3>,1|O<2>,4|H<1>,5|C<4>}	C[6,6](C[3x6]C[6,6]C[6]O[6])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H){2|C<3>,3|C<4>,7|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6,6]C[6,6]C[6]C)(C[6a]C[6a]H){1|C<3>,3|C<4>,7|H<1>}	121.6140	0.000	1	121.6140	0.000	1	121.6140	0.000	1	121.6140	0.000	1	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	3:4:3:	4:3:4:1:	4:3:3:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[5,6,6]-4:C[6,6a]-3:C[6]-4:H-1:	C[5,5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,5,6]C[6a])(C[6,6]C[5,6,6]C[6]H)(C[6a]C[6a]H)	C[6,6](C[5,6,6]O[5,6]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]H)(H)	C[6,6a](C[5,5,6]C[5,5]O[5,6]C[5])(C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,5,6]C[6a])(C[6,6]C[5,6,6]C[6]H)(C[6a]C[6a]H){2|C<3>,2|O<2>,3|H<1>,4|C<4>}	C[6,6](C[5,6,6]O[5,6]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]H)(H){3|C<4>,4|C<3>,5|H<1>}	C[6,6a](C[5,5,6]C[5,5]O[5,6]C[5])(C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H){1|C<3>,5|C<4>,6|H<1>}	119.9840	0.000	1	119.9840	0.000	1	119.9840	0.000	1	119.9840	0.000	1	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:2:	3:4:2:1:	3:3:4:	C[6,6]-4:C[6,6a]-3:N[6a]-2:	C[6,6a]-3:C[6]-4:S[6,6]-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6]S[6,6]C[6]H)(C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])	C[6,6](C[6,6a]C[6,6a]N[6a])(C[6]C[6,6a]BrH)(S[6,6]C[6,6])(H)	C[6,6a](C[6,6a]C[6,6]N[6a])(C[6a]C[6a,6a]C[6a])(C[6]C[6,6]BrH)	C[6,6a](C[6,6]S[6,6]C[6]H)(C[6,6a]C[6a]C[6])(N[6a]C[6a,6a]){2|Br<1>,1|C<4>,2|H<1>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]N[6a])(C[6]C[6,6a]BrH)(S[6,6]C[6,6])(H){1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6]N[6a])(C[6a]C[6a,6a]C[6a])(C[6]C[6,6]BrH){1|C<4>,1|S<2>,2|H<1>,5|C<3>}	123.6206	1.045	7	123.6206	1.092	7	123.4343	0.582	15	123.4343	0.582	15	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:2:	3:4:2:1:	3:3:4:	C[6,6]-4:C[6,6a]-3:N[6a]-2:	C[6,6a]-3:C[6]-4:S[6,6]-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6]S[6,6]C[6]H)(C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])	C[6,6](C[6,6a]C[6,6a]N[6a])(C[6]C[6,6a]BrH)(S[6,6]C[6,6])(H)	C[6,6a](C[6,6a]C[6,6]N[6a])(C[6a]C[6a,6a]H)(C[6]C[6,6]BrH)	C[6,6a](C[6,6]S[6,6]C[6]H)(C[6,6a]C[6a]C[6])(N[6a]C[6a,6a]){2|Br<1>,1|C<4>,3|C<3>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]N[6a])(C[6]C[6,6a]BrH)(S[6,6]C[6,6])(H){1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6]N[6a])(C[6a]C[6a,6a]H)(C[6]C[6,6]BrH){1|C<4>,1|S<2>,2|H<1>,3|C<3>}	123.3867	0.373	6	123.3867	0.139	6	123.4343	0.582	15	123.4343	0.582	15	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:2:	3:4:2:1:	3:3:4:	C[6,6]-4:C[6,6a]-3:N[6a]-2:	C[6,6a]-3:C[6]-4:S[6,6]-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6]S[6,6]C[6]H)(C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])	C[6,6](C[6,6a]C[6,6a]N[6a])(C[6]C[6,6a]HH)(S[6,6]C[6,6])(H)	C[6,6a](C[6,6a]C[6,6]N[6a])(C[6a]C[6a,6a]H)(C[6]C[6,6]HH)	C[6,6a](C[6,6]S[6,6]C[6]H)(C[6,6a]C[6a]C[6])(N[6a]C[6a,6a]){1|C<4>,3|C<3>,5|H<1>}	C[6,6](C[6,6a]C[6,6a]N[6a])(C[6]C[6,6a]HH)(S[6,6]C[6,6])(H){1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6]N[6a])(C[6a]C[6a,6a]H)(C[6]C[6,6]HH){1|C<4>,1|S<2>,2|H<1>,3|C<3>}	122.9250	0.351	2	122.9250	0.123	2	123.4343	0.582	15	123.4343	0.582	15	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:2:	3:4:4:1:	3:3:4:	C[6,6]-4:C[6,6a]-3:N[6a]-2:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])	C[6,6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6,6]HH)(C[6]C[6,6a]BrH)(H)	C[6,6a](C[6,6a]C[6,6]N[6a])(C[6a]C[6a,6a]C[6a])(C[6]C[6,6]BrH)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(N[6a]C[6a,6a]){2|Br<1>,1|C<4>,4|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6,6]HH)(C[6]C[6,6a]BrH)(H){1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6]N[6a])(C[6a]C[6a,6a]C[6a])(C[6]C[6,6]BrH){2|C<4>,2|H<1>,5|C<3>}	121.0603	0.941	6	121.0603	0.886	6	121.2011	0.655	12	121.2011	0.655	12	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:2:	3:4:4:1:	3:3:4:	C[6,6]-4:C[6,6a]-3:N[6a]-2:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])	C[6,6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6,6]HH)(C[6]C[6,6a]HH)(H)	C[6,6a](C[6,6a]C[6,6]N[6a])(C[6a]C[6a,6a]C[6a])(C[6]C[6,6]HH)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(N[6a]C[6a,6a]){1|C<4>,4|C<3>,6|H<1>}	C[6,6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6,6]HH)(C[6]C[6,6a]HH)(H){1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6]N[6a])(C[6a]C[6a,6a]C[6a])(C[6]C[6,6]HH){2|C<4>,2|H<1>,5|C<3>}	120.6800	0.387	2	120.6800	0.150	2	121.2011	0.655	12	121.2011	0.655	12	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:2:	3:4:4:1:	3:3:4:	C[6,6]-4:C[6,6a]-3:N[6a]-2:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])	C[6,6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6,6]HH)(C[6]C[6,6a]HH)(H)	C[6,6a](C[6,6a]C[6,6]N[6a])(C[6a]C[6a,6a]H)(C[6]C[6,6]HH)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(N[6a]C[6a,6a]){1|C<4>,3|C<3>,7|H<1>}	C[6,6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6,6]HH)(C[6]C[6,6a]HH)(H){1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6]N[6a])(C[6a]C[6a,6a]H)(C[6]C[6,6]HH){2|C<4>,2|H<1>,3|C<3>}	121.6728	0.599	4	121.6728	0.359	4	121.2011	0.655	12	121.2011	0.655	12	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:2:2:1:	3:3:3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:O[6,6]-2:O[6]-2:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6]O[6,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6,6]C[6,6])(O[6]C[6,6a])(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6]O[6,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6,6]C[6,6])(O[6]C[6,6a])(H){1|C<4>,1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]O)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	120.0140	0.006	2	120.0140	0.000	2	120.0140	0.000	2	120.0140	0.000	2	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:2:2:1:	3:4:3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:O[6,6]-2:O[6]-2:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6]O[6,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]2)	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6,6]C[6,6])(O[6]N[6])(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]O)	C[6,6a](C[6,6]O[6,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]2){1|C<4>,1|N<2>,1|O<2>,3|C<3>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6,6]C[6,6])(O[6]N[6])(H){1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]O){2|H<1>,3|C<3>,3|O<2>}	119.1810	0.000	1	119.1810	0.000	1	119.6182	0.477	4	119.6182	0.477	4	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:2:2:1:	3:4:3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:O[6,6]-2:O[6]-2:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6]O[6,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6,6]C[6,6])(O[6]C[6,6a])(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HO)(C[6a]C[6a]H)	C[6,6a](C[6,6]O[6,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6,6]C[6,6])(O[6]C[6,6a])(H){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HO)(C[6a]C[6a]H){2|C<3>,2|O<2>,4|H<1>}	120.2850	0.000	1	120.2850	0.000	1	119.6182	0.477	4	119.6182	0.477	4	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:2:2:1:	3:4:3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:O[6,6]-2:O[6]-2:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6]O[6,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6,6]C[6,6])(O[6]N[6])(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]O)	C[6,6a](C[6,6]O[6,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<2>,1|O<2>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6,6]C[6,6])(O[6]N[6])(H){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]O){2|C<3>,2|O<2>,4|H<1>}	120.1240	0.000	1	120.1240	0.000	1	119.6182	0.477	4	119.6182	0.477	4	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:2:2:1:	3:4:3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:O[6,6]-2:O[6]-2:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6]O[6,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]N)	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6,6]C[6,6])(O[6]N[6])(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]O)	C[6,6a](C[6,6]O[6,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]N){1|C<3>,1|C<4>,1|N<2>,1|O<2>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6,6]C[6,6])(O[6]N[6])(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]O){1|N<3>,2|C<3>,2|H<1>,3|O<2>}	118.8830	0.000	1	118.8830	0.000	1	119.6182	0.477	4	119.6182	0.477	4	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:2:2:4:	3:3:3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:O[6,6]-2:O[6]-2:C-4:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6]O[6,6]O[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6,6]C[6,6])(O[6]C[6,6a])(CH3)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6]O[6,6]O[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6,6]C[6,6])(O[6]C[6,6a])(CH3){1|C<4>,1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]O)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	120.1577	0.109	4	120.2802	0.084	5	120.2802	0.084	5	120.2802	0.084	5	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:2:2:4:	3:3:3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:O[6,6]-2:O[6]-2:C-4:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6]O[6,6]O[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6,6]C[6,6])(O[6]C[6,6a])(CH3)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6]O[6,6]O[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6,6]C[6,6])(O[6]C[6,6a])(CH3){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]O)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	120.7700	0.000	1	120.2802	0.084	5	120.2802	0.084	5	120.2802	0.084	5	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:2:2:4:	3:4:2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:O[6,6]-2:O[6]-2:C-4:	C[6,6a]-3:C[6]-4:N[6a]-2:	C[6,6a](C[6,6]O[6,6]O[6]C)(C[6,6a]N[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6,6]C[6,6])(O[6]C[6,6a])(CH3)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(N[6a]C[6a])	C[6,6a](C[6,6]O[6,6]O[6]C)(C[6,6a]N[6a]C[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6,6]C[6,6])(O[6]C[6,6a])(CH3){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(N[6a]C[6a]){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	121.1930	0.000	1	121.1930	0.000	1	121.1930	0.000	1	121.1930	0.000	1	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:2:2:4:	3:4:3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:O[6,6]-2:O[6]-2:C-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6]O[6,6]O[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6,6]C[6,6])(O[6]C[6,6a])(CH3)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6,6a](C[6,6]O[6,6]O[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,2|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6,6]C[6,6])(O[6]C[6,6a])(CH3){1|H<1>,2|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	120.1520	0.000	1	120.1520	0.000	1	120.1520	0.000	1	120.1520	0.000	1	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:2:3:1:	3:3:2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:O[6,6]-2:N[6]-3:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6]O[6,6]N[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6,6]C[6,6])(N[6]C[6]N)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6])	C[6,6a](C[6,6]O[6,6]N[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6,6]C[6,6])(N[6]C[6]N)(H){1|H<1>,1|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6]){1|N<3>,1|O<2>,3|C<3>,3|H<1>}	119.1150	0.000	1	119.1150	0.000	1	119.1150	0.000	1	119.1150	0.000	1	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:2:3:2:	3:4:3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:O[6,6]-2:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6]O[6,6]C[6a]O[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6,6]C[6,6])(C[6a]C[6a]2)(O[6]N[6])	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]O)	C[6,6a](C[6,6]O[6,6]C[6a]O[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<2>,1|O<2>,3|C<3>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6,6]C[6,6])(C[6a]C[6a]2)(O[6]N[6]){1|C<4>,4|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]O){2|H<1>,3|C<3>,3|O<2>}	120.4160	0.363	2	120.4160	0.132	2	120.4160	0.132	2	120.4160	0.132	2	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:2:4:1:	3:3:4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:O[6,6]-2:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6]O[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6,6]C[6,6])(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5,6a]H)(C[6]C[6,6]HH)	C[6,6a](C[6,6]O[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6,6]C[6,6])(C[6]C[6]HH)(H){1|C<4>,1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5,6a]H)(C[6]C[6,6]HH){1|C<4>,2|H<1>,2|O<2>,3|C<3>}	120.6270	0.000	1	120.6270	0.000	1	120.6270	0.000	1	120.6270	0.000	1	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:2:4:1:	3:4:3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:O[6,6]-2:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6]O[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6,6]C[6,6])(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6,6a](C[6,6]O[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,2|C<3>,6|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6,6]C[6,6])(C[6]C[6]HH)(H){1|H<1>,2|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	120.6520	0.000	1	120.6520	0.000	1	120.9270	0.151	2	120.9270	0.151	2	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:2:4:1:	3:4:3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:O[6,6]-2:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6]O[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6,6]C[6,6])(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HO)(C[6a]C[6a]H)	C[6,6a](C[6,6]O[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6,6]C[6,6])(C[6]C[6]HH)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HO)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	121.2020	0.000	1	121.2020	0.000	1	120.9270	0.151	2	120.9270	0.151	2	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:3:2:1:	3:3:2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O[6,6]-2:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6]C[6,6a]O[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]O[6a]O)	C[6,6](C[6,6a]C[6,6a]C[6a])2(O[6,6]C[6,6])(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6])	C[6,6a](C[6,6]C[6,6a]O[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]O[6a]O){1|C<4>,1|H<1>,3|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])2(O[6,6]C[6,6])(H){1|H<1>,1|O<1>,2|C<4>,2|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<3>,1|H<1>,1|O<1>,2|O<2>,3|C<4>}	116.7050	0.000	1	116.7050	0.000	1	116.7050	0.000	1	119.1342	1.838	6	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:3:2:1:	3:3:2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:O[6,6]-2:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6]O[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(O[6,6]C[6,6])(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6])	C[6,6a](C[6,6]O[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(O[6,6]C[6,6])(H){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	118.6710	0.000	1	118.6710	0.000	1	118.6710	0.000	1	119.1342	1.838	6	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:3:2:1:	3:3:2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6,6]-3:O[6]-2:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6]N[6,6]O[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C)(O[6]C[6,6a])(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)(O[6]C[6,6])	C[6,6a](C[6,6]N[6,6]O[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C)(O[6]C[6,6a])(H){1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)(O[6]C[6,6]){1|N<3>,1|O<2>,2|C<3>,4|H<1>}	119.3680	0.083	2	119.3680	0.007	2	119.8572	0.328	4	119.1342	1.838	6	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:3:2:1:	3:3:2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6,6]-3:O[6]-2:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6]N[6,6]O[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6a])(O[6]C[6,6a])(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6])	C[6,6a](C[6,6]N[6,6]O[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6a])(O[6]C[6,6a])(H){1|O<2>,2|H<1>,2|N<2>,4|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6]){1|N<3>,1|O<2>,2|C<3>,4|H<1>}	120.3465	0.139	2	120.3465	0.019	2	119.8572	0.328	4	119.1342	1.838	6	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:3:2:1:	3:3:3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6,6]-3:O[6]-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6]N[6,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(O[6]C[6])(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6]N[6,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(O[6]C[6])(H){3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){1|N<3>,1|O<2>,2|C<3>,3|H<1>}	116.1210	0.000	1	116.1210	0.000	1	116.1210	0.000	1	117.5140	3.881	2	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:3:2:1:	3:3:3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	N[5,6,6]-3:C[6,6a]-3:O[6]-2:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6]N[5,6,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](N[5,6,6]C[5,6,6]N[5])(C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[5,6,6]H)(C[6a]C[6a]H)	C[6,6a](C[6,6]N[5,6,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6,6](N[5,6,6]C[5,6,6]N[5])(C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H){1|S<4>,2|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[5,6,6]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	118.9070	0.000	1	118.9070	0.000	1	118.9070	0.000	1	117.5140	3.881	2	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:3:2:1:	3:3:4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6,6]-3:O[6]-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6]N[6,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(O[6]C[6,6a])(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6]N[6,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(O[6]C[6,6a])(H){1|C<4>,4|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|N<3>,1|O<2>,5|H<1>}	120.3045	0.122	2	120.3045	0.015	2	120.8870	1.725	6	120.7303	1.142	9	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:3:2:1:	3:3:4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6,6]-3:O[6]-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6]N[6,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]N[6])(O[6]C[5,6])(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]F)(C[6]C[6]HH)	C[6,6a](C[6,6]N[6,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|F<1>,1|N<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]N[6])(O[6]C[5,6])(H){1|S<4>,3|C<3>,3|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]F)(C[6]C[6]HH){1|C<3>,1|N<3>,1|O<2>,5|H<1>}	120.7995	0.747	2	120.7995	0.559	2	120.8870	1.725	6	120.7303	1.142	9	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:3:2:1:	3:3:4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6,6]-3:O[6]-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6]N[6,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]N[6])(O[6]C[5,6])(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6]N[6,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]N[6])(O[6]C[5,6])(H){1|S<4>,3|C<3>,3|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|N<3>,1|O<2>,5|H<1>}	121.5570	2.541	2	121.5570	6.458	2	120.8870	1.725	6	120.7303	1.142	9	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:3:2:1:	3:3:4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6,6]-3:S[6]-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6]N[6,6]S[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(S[6]C[6,6a])(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6]N[6,6]S[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(S[6]C[6,6a])(H){1|C<4>,4|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|N<3>,1|O<2>,1|S<2>,4|H<1>}	120.3200	0.123	2	120.4170	0.036	3	120.4170	0.036	3	120.7303	1.142	9	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:3:2:1:	3:3:4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6,6]-3:S[6]-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6]N[6,6]S[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(S[6]C[6,6a])(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6]N[6,6]S[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(S[6]C[6,6a])(H){1|C<4>,4|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|N<3>,1|S<2>,5|H<1>}	120.6110	0.000	1	120.4170	0.036	3	120.4170	0.036	3	120.7303	1.142	9	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:3:2:1:	3:4:3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O[6,6]-2:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6]C[6,6a]O[6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])2(O[6,6]C[6,6])(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6,6a](C[6,6]C[6,6a]O[6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])2(O[6,6]C[6,6])(H){1|H<1>,1|O<1>,2|C<4>,2|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>,3|O<2>}	119.1210	0.000	1	119.1210	0.000	1	119.1210	0.000	1	119.1210	0.000	1	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:3:2:2:	3:3:3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-3:O[6]-2:O-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6]C[6,6]O[6]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(O[6]C[6,6a])(OC)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6]C[6,6]O[6]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(O[6]C[6,6a])(OC){1|O<1>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O){2|C<3>,2|O<2>,3|H<1>}	119.3830	0.167	2	119.3830	0.028	2	119.3830	0.028	2	119.3830	0.028	2	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:3:2:3:	3:3:3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O[6]-2:C[6]-3:	C[6,6a]-3:S[6]-3:C[6a]-3:	C[6,6a](C[6,6]C[6,6a]C[6]O[6])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])2(O[6]C[6,6a])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(S[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6]C[6,6a]C[6]O[6])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H){1|O<1>,3|H<1>,5|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])2(O[6]C[6,6a])(C[6]C[6]H){1|S<3>,3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(S[6]C[6,6a]O)(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	119.0392	0.369	6	119.0392	0.136	6	119.0392	0.136	6	119.0392	0.136	6	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:3:2:4:	3:3:2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:O[6,6]-2:C-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6]O[6,6]C[6]C)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(O[6,6]C[6,6])(CCHH)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6])	C[6,6a](C[6,6]O[6,6]C[6]C)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(O[6,6]C[6,6])(CCHH){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6]){1|H<1>,2|C<4>,2|O<2>,3|C<3>}	119.3870	0.000	1	119.3870	0.000	1	119.5072	0.042	6	119.5072	0.042	6	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:3:2:4:	3:3:2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:O[6,6]-2:C-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6]O[6,6]C[6]C)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(O[6,6]C[6,6])(CH3)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6])	C[6,6a](C[6,6]O[6,6]C[6]C)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(O[6,6]C[6,6])(CH3){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6]){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	119.6020	0.258	3	119.5312	0.048	5	119.5072	0.042	6	119.5072	0.042	6	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:3:2:4:	3:3:2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:O[6,6]-2:C-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6]O[6,6]C[6]C)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(O[6,6]C[6,6])(CH3)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6])	C[6,6a](C[6,6]O[6,6]C[6]C)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(O[6,6]C[6,6])(CH3){1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	119.4250	0.143	2	119.5312	0.048	5	119.5072	0.042	6	119.5072	0.042	6	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:3:2:4:	3:4:3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O[6,6]-2:C-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6]C[6,6a]O[6,6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])2(O[6,6]C[6,6])(CF3)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6,6a](C[6,6]C[6,6a]O[6,6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])2(O[6,6]C[6,6])(CF3){2|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	117.2580	3.551	2	117.2580	12.610	2	117.2580	12.610	2	117.2580	12.610	2	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:3:3:1:	3:3:2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-3:N[6]-3:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6]C[6,6]N[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6])(N[6]C[6]S)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6]C[6,6]N[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|S<3>,2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6])(N[6]C[6]S)(H){1|C<4>,1|O<2>,3|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|N<3>,2|C<3>,5|H<1>}	117.1640	0.964	2	117.1640	0.930	2	117.1640	0.930	2	119.0261	6.815	16	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:3:3:1:	3:3:2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6]C[6,6,6a]C[6,6a]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]O)	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6,6a]C[6,6a]2)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a])	C[6,6a](C[6,6]C[6,6,6a]C[6,6a]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]O){2|H<1>,5|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6,6a]C[6,6a]2)(H){4|O<2>,6|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a]){1|O<2>,2|H<1>,4|C<3>}	117.9210	5.564	2	117.9210	30.953	2	119.1680	20.141	3	119.0261	6.815	16	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:3:3:1:	3:3:2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6]C[6,6,6a]C[6,6a]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]O)	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6,6,6a]C[6,6a]2)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a])	C[6,6a](C[6,6]C[6,6,6a]C[6,6a]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]O){2|H<1>,5|C<3>}	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6,6,6a]C[6,6a]2)(H){1|N<3>,2|O<2>,7|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a]){1|O<2>,2|H<1>,4|C<3>}	121.6620	0.000	1	121.6620	0.000	1	119.1680	20.141	3	119.0261	6.815	16	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:3:3:1:	3:3:2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:N[6,6]-3:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])2(N[6,6]P[6,6]C[5])(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]P[6,6])	C[6,6a](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|P<3>,2|H<1>,3|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])2(N[6,6]P[6,6]C[5])(H){1|C<4>,2|O<2>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]P[6,6]){1|N<3>,1|O<2>,2|C<3>,3|H<1>}	120.5580	0.057	2	120.5580	0.003	2	120.5669	1.103	7	119.0261	6.815	16	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:3:3:1:	3:3:2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:N[6,6]-3:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])2(N[6,6]P[6,6]C[6])(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]P[6,6])	C[6,6a](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|P<3>,2|H<1>,3|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])2(N[6,6]P[6,6]C[6])(H){1|C<4>,2|O<2>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]P[6,6]){1|N<3>,1|O<2>,2|C<3>,3|H<1>}	120.4090	0.260	2	120.4090	0.068	2	120.5669	1.103	7	119.0261	6.815	16	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:3:3:1:	3:3:2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:N[6,6]-3:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])2(N[6,6]P[6,6]C[6a])(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]P[6,6])	C[6,6a](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|P<3>,2|H<1>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])2(N[6,6]P[6,6]C[6a])(H){2|H<1>,2|O<2>,6|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]P[6,6]){1|N<3>,1|O<2>,2|C<3>,3|H<1>}	120.5250	2.514	2	120.5250	6.323	2	120.5669	1.103	7	119.0261	6.815	16	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:3:3:1:	3:3:2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:N[6,6]-3:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]S[6])(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]S[6])	C[6,6a](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|S<4>,2|H<1>,3|C<3>}	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]S[6])(H){2|O<1>,2|O<2>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]S[6]){1|N<3>,2|C<3>,2|O<1>,3|H<1>}	120.9840	0.000	1	120.9840	0.000	1	120.5669	1.103	7	119.0261	6.815	16	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:3:3:1:	3:3:2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[5a,6]-3:C[6,6]-3:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6]N[5a,6]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]N[5a,6]C[5a])(C[6,6]C[6]2)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6]N[5a,6]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]N[5a,6]C[5a])(C[6,6]C[6]2)(H){1|N<3>,1|O<1>,1|O<2>,2|H<1>,3|C<3>,3|C<4>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	115.9840	0.000	1	115.9840	0.000	1	115.9840	0.000	1	119.0261	6.815	16	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:3:3:1:	3:3:2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6,6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6])	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|N<2>,1|S<1>,2|C<3>,2|N<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]){2|C<3>,2|N<3>,3|H<1>}	114.4960	0.000	1	114.4960	0.000	1	114.4960	0.000	1	119.0261	6.815	16	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:3:3:1:	3:3:2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6,6]-3:N[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a](C[6,6]N[6,6]N[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(N[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6])	C[6,6a](C[6,6]N[6,6]N[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(N[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<2>,1|O<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]){1|C<3>,1|C<4>,2|N<3>,3|H<1>}	119.7780	0.000	1	119.0690	1.005	2	119.0690	1.005	2	119.0261	6.815	16	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:3:3:1:	3:3:2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6,6]-3:N[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a](C[6,6]N[6,6]N[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(N[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6])	C[6,6a](C[6,6]N[6,6]N[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(N[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<2>,1|O<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]){1|C<3>,1|C<4>,2|N<3>,3|H<1>}	118.3600	0.000	1	119.0690	1.005	2	119.0690	1.005	2	119.0261	6.815	16	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:3:3:1:	3:3:3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[5a,6]-3:C[6,6a]-3:N[6,6]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6]C[5a,6]N[6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[5a,6]N[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6]C[5a,6]N[6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,3|H<1>,4|C<3>}	C[6,6](C[5a,6]N[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(H){2|H<1>,8|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){1|N<3>,3|C<3>,3|H<1>}	114.6380	0.000	1	114.6380	0.000	1	114.6380	0.000	1	118.5479	6.935	15	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:3:3:1:	3:3:3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6,6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]C)(H){1|C<4>,1|O<2>,2|C<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){1|N<3>,2|C<3>,4|H<1>}	118.6380	0.024	2	118.6380	0.001	2	118.6380	0.001	2	118.5479	6.935	15	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:3:3:1:	3:3:3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6,6]-3:N[6]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6]N[6,6]N[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(N[6]C[6]N)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]I)	C[6,6a](C[6,6]N[6,6]N[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|I<1>,1|N<3>,2|H<1>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(N[6]C[6]N)(H){1|H<1>,1|O<1>,6|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]I){2|C<3>,2|N<3>,3|H<1>}	119.8730	0.034	2	119.8730	0.001	2	118.8574	6.191	5	118.5479	6.935	15	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:3:3:1:	3:3:3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6,6]-3:N[6]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6]N[6,6]N[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(N[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6]N[6,6]N[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){4|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(N[6]C[6]H)(H){1|O<1>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,2|N<3>,4|H<1>}	120.6080	0.000	1	120.6080	0.000	1	118.8574	6.191	5	118.5479	6.935	15	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:3:3:1:	3:3:3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6,6]-3:N[6]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6]N[6,6]N[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]O[6])(N[6]C[6]O)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6]N[6,6]N[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|O<2>,3|C<3>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]O[6])(N[6]C[6]O)(H){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){2|C<3>,2|N<3>,3|H<1>}	114.4680	0.000	1	114.4680	0.000	1	118.8574	6.191	5	118.5479	6.935	15	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:3:3:1:	3:3:3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6,6]-3:N[6]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6]N[6,6]N[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]N[5a,6]C[6])(N[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6]N[6,6]N[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,3|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]N[5a,6]C[6])(N[6]C[6]H)(H){1|H<1>,1|O<1>,6|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){2|C<3>,2|N<3>,3|H<1>}	119.4650	0.000	1	119.4650	0.000	1	118.8574	6.191	5	118.5479	6.935	15	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:3:3:1:	3:3:3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6,6]-3:N[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6]N[6,6]N[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C)(N[6]C[6,6a]C)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6,6]C)	C[6,6a](C[6,6]N[6,6]N[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){2|C<3>,2|H<1>,4|C<4>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C)(N[6]C[6,6a]C)(H){1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6,6]C){2|C<3>,2|N<3>,4|H<1>}	120.4015	0.600	2	120.4015	0.360	2	119.9998	0.252	6	118.5479	6.935	15	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:3:3:1:	3:3:3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6,6]-3:N[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6]N[6,6]N[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C)(N[6]C[6,6a]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6,6]H)	C[6,6a](C[6,6]N[6,6]N[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C)(N[6]C[6,6a]H)(H){1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6,6]H){2|C<3>,2|N<3>,4|H<1>}	119.7990	0.373	4	119.7990	0.139	4	119.9998	0.252	6	118.5479	6.935	15	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:3:3:1:	3:3:3:	C[6,6]-4:C[6a,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a](C[6,6]C[6,6,6a]C[6,6a]H)(C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]N[6])	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6,6,6a]C[6,6a]2)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6,6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6,6a](C[6,6]C[6,6,6a]C[6,6a]H)(C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]N[6]){1|C<4>,2|H<1>,7|C<3>}	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6,6,6a]C[6,6a]2)(H){1|N<3>,2|O<2>,7|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6,6])(N[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,5|C<3>}	112.0190	0.000	1	112.0190	0.000	1	112.0190	0.000	1	118.5479	6.935	15	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:3:3:1:	3:3:4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[5a,6]-3:C[6,6a]-3:N[6,6]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6]C[5a,6]N[6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6]C[5a,6]N[6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(H){2|C<4>,4|C<3>,6|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,1|O<2>,2|C<3>,4|H<1>}	121.0880	0.000	1	121.0880	0.000	1	120.0645	2.095	2	120.5452	3.294	12	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:3:3:1:	3:3:4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[5a,6]-3:C[6,6a]-3:N[6,6]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6]C[5a,6]N[6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[5a,6]C[5a,6a]N[5a,6])(C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6]C[5a,6]N[6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6,6](C[5a,6]C[5a,6a]N[5a,6])(C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(H){1|C<4>,1|N<2>,3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,2|C<3>,5|H<1>}	119.0410	0.000	1	119.0410	0.000	1	120.0645	2.095	2	120.5452	3.294	12	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:3:3:1:	3:3:4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-3:N[6]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6]C[6,6]N[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6])(N[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5,6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6]C[6,6]N[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6])(N[6]C[6]C)(H){1|C<4>,4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5,6a]H)(C[6]C[6]HH){1|N<3>,1|O<2>,2|C<3>,3|H<1>}	117.1330	0.000	1	117.1330	0.000	1	117.1330	0.000	1	120.5452	3.294	12	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:3:3:1:	3:3:4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6,6]-3:N[6]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6]N[6,6]N[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(N[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6]N[6,6]N[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(N[6]C[6]C)(H){1|C<4>,4|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,2|N<3>,5|H<1>}	121.8880	0.000	1	119.8467	3.128	3	121.0311	2.488	9	120.5452	3.294	12	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:3:3:1:	3:3:4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6,6]-3:N[6]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6]N[6,6]N[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(N[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6]N[6,6]N[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(N[6]C[6]C)(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,2|N<3>,5|H<1>}	118.8260	0.071	2	119.8467	3.128	3	121.0311	2.488	9	120.5452	3.294	12	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:3:3:1:	3:3:4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6,6]-3:N[6]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6]N[6,6]N[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(N[6]C[6]N[6])(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6]N[6,6]N[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(N[6]C[6]N[6])(H){1|O<1>,2|C<4>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,2|N<3>,5|H<1>}	121.0075	0.794	2	121.0075	0.631	2	121.0311	2.488	9	120.5452	3.294	12	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:3:3:1:	3:3:4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6,6]-3:N[6]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6]N[6,6]N[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(N[6]C[6a]C[6])(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6]N[6,6]N[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(N[6]C[6a]C[6])(H){1|C<4>,5|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,2|N<3>,5|H<1>}	120.1320	0.000	1	120.1320	0.000	1	121.0311	2.488	9	120.5452	3.294	12	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:3:3:1:	3:3:4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6,6]-3:N[6]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6]N[6,6]N[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(N[6]S[6]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6]N[6,6]N[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|S<4>,2|C<3>,5|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(N[6]S[6]H)(H){1|C<4>,2|O<1>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,2|N<3>,5|H<1>}	121.6280	0.000	1	121.6280	0.000	1	121.0311	2.488	9	120.5452	3.294	12	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:3:3:1:	3:3:4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6,6]-3:N[6]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6]N[6,6]N[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]N[6])(N[6]C[6]S)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6]N[6,6]N[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|S<4>,2|C<4>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]N[6])(N[6]C[6]S)(H){2|C<4>,3|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,2|N<3>,5|H<1>}	122.9825	0.168	2	122.9825	0.028	2	121.0311	2.488	9	120.5452	3.294	12	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:3:3:1:	3:4:3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-3:N[6,6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6]C[6,6]N[6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(N[6,6]C[6,6]C)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]BrH)(C[6a]C[6a]H)	C[6,6a](C[6,6]C[6,6]N[6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|Br<1>,2|C<4>,3|C<3>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(N[6,6]C[6,6]C)(H){1|N<3>,1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]BrH)(C[6a]C[6a]H){2|C<3>,2|N<3>,4|H<1>}	120.2850	0.000	1	120.2850	0.000	1	120.2850	0.000	1	118.9765	3.424	2	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:3:3:1:	3:4:3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6,6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C)(C[6]N[6]O)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C)(C[6]N[6]O)(H){2|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	117.6680	0.000	1	117.6680	0.000	1	117.6680	0.000	1	118.9765	3.424	2	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:3:3:2:	3:3:2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6]C[6,6]C[6a]O[6])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(C[6a]C[6a]2)(O[6]C[6,6a])	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6]C[6,6]C[6a]O[6])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(C[6a]C[6a]2)(O[6]C[6,6a]){1|O<2>,6|C<3>,6|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|O<2>,3|C<3>,4|H<1>}	120.1590	0.000	1	120.1590	0.000	1	120.1590	0.000	1	120.1590	0.000	1	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:3:3:2:	3:3:3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6,6]-3:O[6]-2:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6]C[6,6a]C[6,6]O[6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O[6]C[6,6a])	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6,6]C)	C[6,6a](C[6,6]C[6,6a]C[6,6]O[6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,6|C<3>}	C[6,6](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O[6]C[6,6a]){1|C<2>,1|N<3>,3|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6,6]C){1|O<2>,2|H<1>,4|C<3>}	119.8240	0.000	1	119.8240	0.000	1	119.8240	0.000	1	119.5627	0.131	3	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:3:3:2:	3:3:3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:N[5,6]-3:N[6]-2:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a](C[6,6]C[6,6a]N[5,6]N[6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])2(N[5,6]C[5,6]C[5])(N[6]C[6])	C[6,6a](C[6,6a]C[6,6]C[6a])(N[6]C[6,6a]H)(C[6a]C[6a]H)	C[6,6a](C[6,6]C[6,6a]N[5,6]N[6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,3|H<1>,5|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])2(N[5,6]C[5,6]C[5])(N[6]C[6]){1|C<4>,1|N<2>,3|N<3>,4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(N[6]C[6,6a]H)(C[6a]C[6a]H){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	119.4320	0.399	2	119.4320	0.159	2	119.4320	0.159	2	119.5627	0.131	3	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:3:3:3:	3:3:2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6]C[6,6a]2N[6])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])3(N[6]N[6]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a])	C[6,6a](C[6,6]C[6,6a]2N[6])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|N<3>,3|H<1>,5|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])3(N[6]N[6]H){1|O<2>,3|H<1>,8|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,2|N<3>,4|C<3>}	121.9045	0.690	4	121.9045	0.476	4	121.9045	0.476	4	121.9045	0.476	4	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:3:3:3:	3:3:3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6]C[6,6a]2N[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])3(N[6]N[6]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a](C[6,6]C[6,6a]2N[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])3(N[6]N[6]H){1|O<2>,3|H<1>,8|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O){1|N<3>,2|H<1>,4|C<3>}	120.1825	1.091	2	120.1825	1.190	2	120.1825	1.190	2	120.6667	1.298	3	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:3:3:3:	3:3:3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:N[5a,6]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6]C[6,6a]N[5a,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6]C[5a])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6]C[6,6a]N[5a,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,3|H<1>,6|C<3>}	C[6,6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6]C[5a])(C[6]C[6]H){1|N<2>,3|H<1>,8|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O){1|N<3>,3|C<3>,3|H<1>}	121.6350	0.000	1	121.6350	0.000	1	121.6350	0.000	1	120.6667	1.298	3	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:3:3:3:	3:3:4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:N[6,6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6]N[6,6]C[6a]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]O)(C[6a]C[6a]2)(N[6,6]C[6]2)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6]N[6,6]C[6a]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]O)(C[6a]C[6a]2)(N[6,6]C[6]2){1|O<1>,3|C<4>,4|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,1|O<2>,3|C<3>,3|H<1>}	123.1830	0.000	1	123.1830	0.000	1	123.1830	0.000	1	123.1830	0.000	1	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:3:3:3:	3:4:2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-3:C[6]-3:N-3:	C[6,6a]-3:C[6]-4:N[6a]-2:	C[6,6a](C[6,6]C[6,6]C[6]N)(C[6,6a]N[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O)(C[6]C[6]H)(NCH)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(N[6a]C[6a])	C[6,6a](C[6,6]C[6,6]C[6]N)(C[6,6a]N[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O)(C[6]C[6]H)(NCH){1|C<3>,1|N<2>,2|H<1>,3|C<4>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(N[6a]C[6a]){1|C<4>,1|N<3>,1|O<2>,2|H<1>,3|C<3>}	120.8380	0.000	1	120.8380	0.000	1	120.8380	0.000	1	120.8380	0.000	1	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:3:3:4:	3:3:2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6]C[6,6a]2C[6,6])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])3(C[6,6]C[6,6a]3)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a])	C[6,6a](C[6,6]C[6,6a]2C[6,6])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|H<1>,8|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])3(C[6,6]C[6,6a]3){12|C<3>,1|O<2>,3|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a]){1|C<4>,2|H<1>,4|C<3>}	120.3328	0.721	8	120.3328	0.520	8	120.3328	0.520	8	120.6622	1.432	9	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:3:3:4:	3:3:2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[5a,6]-3:N[6]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a](C[6,6]N[5a,6]C[6]N[6])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6]N[5a])(N[6]C[6,6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(S[6]C[6])	C[6,6a](C[6,6]N[5a,6]C[6]N[6])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H){1|C<4>,1|N<2>,3|C<3>,5|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6]N[5a])(N[6]C[6,6a]H)(C[6]C[6]HH){1|S<2>,3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(S[6]C[6]){1|C<3>,1|C<4>,2|N<3>,4|H<1>}	123.2980	0.000	1	123.2980	0.000	1	123.2980	0.000	1	120.6622	1.432	9	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:3:3:4:	3:3:3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6]C[6,6a]2C[6,6])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])3(C[6,6]C[6,6a]3)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6]C[6a])(C[6a]C[6a]Br)	C[6,6a](C[6,6]C[6,6a]2C[6,6])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H){1|Br<1>,1|H<1>,9|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])3(C[6,6]C[6,6a]3){12|C<3>,1|O<2>,3|H<1>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6]C[6a])(C[6a]C[6a]Br){1|Br<1>,1|C<4>,2|H<1>,5|C<3>}	119.2300	0.242	2	119.2300	0.058	2	119.3504	0.219	5	119.7063	0.520	7	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:3:3:4:	3:3:3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6]C[6,6a]2C[6,6])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])3(C[6,6]C[6,6a]3)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6]C[6a])(C[6a]C[6a]C)	C[6,6a](C[6,6]C[6,6a]2C[6,6])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,9|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])3(C[6,6]C[6,6a]3){12|C<3>,1|N<3>,3|H<1>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6]C[6a])(C[6a]C[6a]C){2|C<4>,2|H<1>,5|C<3>}	120.0650	0.000	1	119.4307	0.384	3	119.3504	0.219	5	119.7063	0.520	7	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:3:3:4:	3:3:3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6]C[6,6a]2C[6,6])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])3(C[6,6]C[6,6a]3)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6]C[6a])(C[6a]C[6a]C)	C[6,6a](C[6,6]C[6,6a]2C[6,6])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,9|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])3(C[6,6]C[6,6a]3){12|C<3>,1|O<2>,3|H<1>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6]C[6a])(C[6a]C[6a]C){2|C<4>,2|H<1>,5|C<3>}	119.1135	0.407	2	119.4307	0.384	3	119.3504	0.219	5	119.7063	0.520	7	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:3:3:4:	3:3:3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6,6a]-3:C[6,6]-4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a](C[6,6]C[6,6a]2C[6,6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])3(C[6,6]C[6,6a]3)	C[6,6a](C[6,6a]C[6,6]C[6a])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6,6a](C[6,6]C[6,6a]2C[6,6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,8|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])3(C[6,6]C[6,6a]3){12|C<3>,1|N<3>,3|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(N[6]C[6,6a]C)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	120.5960	0.171	2	120.5960	0.029	2	120.5960	0.029	2	119.7063	0.520	7	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:3:3:4:	3:3:4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[5a,6]-3:C[6,6a]-3:N[6,6]-3:C-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6]C[5a,6]N[6,6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(CH3)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6]C[5a,6]N[6,6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(CH3){1|O<1>,2|C<4>,4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	117.3080	0.000	1	117.3080	0.000	1	117.3080	0.000	1	117.3080	0.000	1	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:3:4:1:	3:3:2:	C[6,6]-4:C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]O[6])(C[6,6a]C[6a]O[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]2)(C[6,6]C[6,6]HO)(H)	C[6,6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(O[6]C[6,6])	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]O[6])(C[6,6a]C[6a]O[6]){1|O<2>,2|H<1>,3|C<3>,3|C<4>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]2)(C[6,6]C[6,6]HO)(H){4|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<4>,1|H<1>,3|C<3>,3|O<2>}	118.4850	0.000	1	118.4850	0.000	1	118.4850	0.000	1	119.8507	2.712	72	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:3:4:1:	3:3:2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[5a,6]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6]C[5a,6]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CH)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6])	C[6,6a](C[6,6]C[5a,6]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|Br<1>,1|C<4>,2|H<1>,4|C<3>}	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CH)(H){1|H<1>,1|N<2>,1|N<3>,2|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	118.4930	0.000	1	117.7065	1.237	2	119.5546	3.481	8	119.8507	2.712	72	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:3:4:1:	3:3:2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[5a,6]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6]C[5a,6]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CH)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6])	C[6,6a](C[6,6]C[5a,6]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|Br<1>,1|C<4>,2|H<1>,4|C<3>}	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CH)(H){1|N<2>,1|N<3>,2|H<1>,2|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	116.9200	0.000	1	117.7065	1.237	2	119.5546	3.481	8	119.8507	2.712	72	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:3:4:1:	3:3:2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[5a,6]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6]C[5a,6]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2C)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6]C[5a,6]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<2>,2|C<4>,2|H<1>,3|C<3>}	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2C)(H){1|C<4>,1|N<2>,1|N<3>,2|O<2>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,2|C<3>,5|H<1>}	121.5600	0.010	2	121.0352	0.908	4	119.5546	3.481	8	119.8507	2.712	72	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:3:4:1:	3:3:2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[5a,6]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6]C[5a,6]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2C)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6]C[5a,6]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|C<4>,2|H<1>,4|C<3>}	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2C)(H){1|C<4>,1|N<2>,1|N<3>,2|O<2>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,2|C<3>,5|H<1>}	121.4110	0.000	1	121.0352	0.908	4	119.5546	3.481	8	119.8507	2.712	72	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:3:4:1:	3:3:2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[5a,6]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6]C[5a,6]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2C)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6]C[5a,6]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|C<4>,2|H<1>,4|C<3>}	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2C)(H){1|N<2>,1|N<3>,2|O<2>,4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,2|C<3>,5|H<1>}	119.6100	0.000	1	121.0352	0.908	4	119.5546	3.481	8	119.8507	2.712	72	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:3:4:1:	3:3:2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[5a,6]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6]C[5a,6]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2C)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)(O[6]C[6])	C[6,6a](C[6,6]C[5a,6]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2C)(H){1|C<4>,1|N<2>,1|N<3>,2|O<2>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)(O[6]C[6]){1|C<4>,2|C<3>,5|H<1>}	119.5210	0.000	1	119.5210	0.000	1	119.5546	3.481	8	119.8507	2.712	72	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:3:4:1:	3:3:2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[5a,6]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6]C[5a,6]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[5a,6]C[5a,6]S[5a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6])	C[6,6a](C[6,6]C[5a,6]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|S<2>,2|C<3>,4|H<1>}	C[6,6](C[5a,6]C[5a,6]S[5a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(H){1|C<4>,1|H<1>,2|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6]){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	117.3620	0.000	1	117.3620	0.000	1	119.5546	3.481	8	119.8507	2.712	72	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:3:4:1:	3:3:2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[5a,6]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a](C[6,6]C[5a,6]C[6,6]H)(C[6,6a]C[6a,6a]O[6])(C[6a]O[6a]O)	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6]C[6a])(O[6]C[6])	C[6,6a](C[6,6]C[5a,6]C[6,6]H)(C[6,6a]C[6a,6a]O[6])(C[6a]O[6a]O){1|H<1>,2|C<4>,4|C<3>}	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(H){1|C<3>,1|N<2>,1|N<3>,1|O<1>,1|S<2>,2|H<1>,2|O<2>,3|C<4>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6]C[6a])(O[6]C[6]){1|O<1>,1|O<2>,2|H<1>,3|C<3>,3|C<4>}	120.8190	0.000	1	120.8190	0.000	1	120.8190	0.000	1	119.8507	2.712	72	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:3:4:1:	3:3:2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-3:C[6,6]-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6]C[5,6]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(C[6,6]C[6]2H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6]C[5,6]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(C[6,6]C[6]2H)(H){1|O<1>,2|C<4>,2|O<2>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	120.4040	0.000	1	120.4040	0.000	1	120.4040	0.000	1	119.8507	2.712	72	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:3:4:1:	3:3:2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>,3|O<2>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	118.6770	0.000	1	117.9870	3.007	3	118.6418	3.720	4	119.8507	2.712	72	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:3:4:1:	3:3:2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	116.0140	0.000	1	117.9870	3.007	3	118.6418	3.720	4	119.8507	2.712	72	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:3:4:1:	3:3:2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){4|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|H<1>,1|O<1>,2|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	119.2700	0.000	1	117.9870	3.007	3	118.6418	3.720	4	119.8507	2.712	72	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:3:4:1:	3:3:2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(C[6]C[6]HN)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(C[6]C[6]HN)(H){1|O<2>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,3|C<3>,3|H<1>}	120.6060	0.000	1	120.6060	0.000	1	118.6418	3.720	4	119.8507	2.712	72	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:3:4:1:	3:3:2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6,6]HH)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6,6a]C[6,6a]C[6])(O[6]C[6,6])	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6,6]HH)(H){2|H<1>,2|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6,6a]C[6,6a]C[6])(O[6]C[6,6]){1|O<2>,3|C<3>,3|C<4>,4|H<1>}	119.7930	0.000	1	119.7930	0.000	1	119.7930	0.000	1	119.8507	2.712	72	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:3:4:1:	3:3:2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]C)	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6]2H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]C){2|C<4>,3|C<3>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6]2H)(H){1|C<4>,2|O<2>,4|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){2|C<3>,3|C<4>,3|H<1>}	119.5030	0.000	1	119.5030	0.000	1	119.1357	1.940	35	119.8507	2.712	72	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:3:4:1:	3:3:2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2C)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|Br<1>,1|H<1>,2|C<4>,4|C<3>}	C[6,6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2C)(H){1|N<3>,1|O<1>,1|O<2>,4|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,2|C<3>,5|H<1>}	120.2080	0.000	1	120.2080	0.000	1	119.1357	1.940	35	119.8507	2.712	72	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:3:4:1:	3:3:2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6,6]HH)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6])	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|Br<1>,1|C<4>,3|C<3>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6,6]HH)(H){2|H<1>,2|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	118.1500	0.040	2	118.3856	0.514	9	119.1357	1.940	35	119.8507	2.712	72	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:3:4:1:	3:3:2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6,6]HH)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6])	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6,6]HH)(H){1|H<1>,1|O<1>,3|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	117.4330	0.000	1	118.3856	0.514	9	119.1357	1.940	35	119.8507	2.712	72	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:3:4:1:	3:3:2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6,6]HH)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6])	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6,6]HH)(H){1|H<1>,3|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	119.0130	0.000	1	118.3856	0.514	9	119.1357	1.940	35	119.8507	2.712	72	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:3:4:1:	3:3:2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6,6]HH)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6])	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6,6]HH)(H){2|H<1>,2|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	118.2758	0.613	4	118.3856	0.514	9	119.1357	1.940	35	119.8507	2.712	72	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:3:4:1:	3:3:2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6,6]HH)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6])	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6,6]HH)(H){2|H<1>,2|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<4>,2|H<1>,2|O<2>,3|C<3>}	119.6210	0.000	1	118.3856	0.514	9	119.1357	1.940	35	119.8507	2.712	72	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:3:4:1:	3:3:2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6,6]HS)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6])	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|S<4>,3|C<3>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6,6]HS)(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6]){2|C<3>,2|C<4>,4|H<1>}	119.1880	0.808	5	119.1880	0.652	5	119.1357	1.940	35	119.8507	2.712	72	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:3:4:1:	3:3:2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6]2C)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<2>,2|C<4>,2|H<1>,3|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6]2C)(H){1|O<1>,2|N<3>,2|O<2>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,2|C<3>,5|H<1>}	121.7090	0.057	2	120.4132	1.060	8	119.1357	1.940	35	119.8507	2.712	72	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:3:4:1:	3:3:2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6]2C)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6]2C)(H){1|C<4>,1|O<1>,1|O<2>,4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	118.5730	0.000	1	120.4132	1.060	8	119.1357	1.940	35	119.8507	2.712	72	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:3:4:1:	3:3:2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6]2C)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|C<4>,2|H<1>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6]2C)(H){1|O<1>,2|N<3>,2|O<2>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,2|C<3>,5|H<1>}	120.5180	0.479	2	120.4132	1.060	8	119.1357	1.940	35	119.8507	2.712	72	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:3:4:1:	3:3:2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6]2C)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|C<4>,2|H<1>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6]2C)(H){1|O<1>,3|O<2>,4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,2|C<3>,5|H<1>}	120.0930	0.238	3	120.4132	1.060	8	119.1357	1.940	35	119.8507	2.712	72	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:3:4:1:	3:3:2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6]2H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6]2H)(H){1|C<4>,2|O<2>,4|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,3|C<3>,4|H<1>}	119.0370	0.000	1	118.8767	5.713	6	119.1357	1.940	35	119.8507	2.712	72	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:3:4:1:	3:3:2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6]2H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6]2H)(H){1|O<1>,2|C<4>,3|C<3>,3|H<1>,3|O<2>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,2|C<3>,5|H<1>}	119.1390	0.000	1	118.8767	5.713	6	119.1357	1.940	35	119.8507	2.712	72	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:3:4:1:	3:3:2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6]2H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6]2H)(H){1|O<1>,3|C<3>,3|O<2>,5|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,2|C<3>,5|H<1>}	120.2175	0.070	2	118.8767	5.713	6	119.1357	1.940	35	119.8507	2.712	72	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:3:4:1:	3:3:2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6]2H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6]2H)(H){2|O<2>,5|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,2|C<3>,5|H<1>}	114.1580	0.000	1	118.8767	5.713	6	119.1357	1.940	35	119.8507	2.712	72	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:3:4:1:	3:3:2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6]2H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6]2H)(H){2|O<2>,5|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,3|C<3>,4|H<1>}	120.4910	0.000	1	118.8767	5.713	6	119.1357	1.940	35	119.8507	2.712	72	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:3:4:1:	3:3:2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6]2H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)(O[6]C[6])	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6]2H)(H){1|C<4>,2|C<3>,2|H<1>,2|N<3>,2|O<1>,2|O<2>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)(O[6]C[6]){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	118.0310	0.000	1	118.1225	0.017	2	119.1357	1.940	35	119.8507	2.712	72	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:3:4:1:	3:3:2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6]2H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)(O[6]C[6])	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6]2H)(H){2|H<1>,2|N<3>,2|O<1>,2|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)(O[6]C[6]){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	118.2140	0.000	1	118.1225	0.017	2	119.1357	1.940	35	119.8507	2.712	72	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:3:4:1:	3:3:2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6])	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|Br<1>,1|C<4>,3|C<3>,3|H<1>}	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(H){1|H<1>,2|O<2>,6|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	119.1450	0.000	1	119.1450	0.000	1	119.1357	1.940	35	119.8507	2.712	72	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:3:4:1:	3:3:2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]O)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]2)(C[6,6]C[6,6]HO)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6])	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]O){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]2)(C[6,6]C[6,6]HO)(H){4|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<4>,1|H<1>,3|C<3>,3|O<2>}	118.5210	0.000	1	118.5210	0.000	1	119.1357	1.940	35	119.8507	2.712	72	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:3:4:1:	3:3:2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]O)	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6,6]HH)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6])	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]O){1|C<4>,3|H<1>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6,6]HH)(H){1|H<1>,3|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<4>,2|H<1>,2|O<2>,3|C<3>}	118.1510	0.000	1	118.1510	0.000	1	119.1357	1.940	35	119.8507	2.712	72	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:3:4:1:	3:3:2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6a]-3:N[6a]-3:O[6]-2:	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]N[6a]O[6])(C[6a]N[6a]O)	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6]2C)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(N[6a]C[6a]C)(O[6]C[6])	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]N[6a]O[6])(C[6a]N[6a]O){1|C<2>,3|C<3>,4|C<4>}	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6]2C)(H){1|O<1>,2|N<3>,2|O<2>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(N[6a]C[6a]C)(O[6]C[6]){1|C<4>,1|N<3>,2|C<3>,2|H<1>,2|O<1>}	121.4200	0.225	2	121.2957	0.089	4	121.1333	0.117	6	119.8507	2.712	72	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:3:4:1:	3:3:2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6a]-3:N[6a]-3:O[6]-2:	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]N[6a]O[6])(C[6a]N[6a]O)	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6]2C)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(N[6a]C[6a]C)(O[6]C[6])	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]N[6a]O[6])(C[6a]N[6a]O){4|C<3>,4|C<4>}	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6]2C)(H){1|O<1>,2|N<3>,2|O<2>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(N[6a]C[6a]C)(O[6]C[6]){1|C<4>,1|N<3>,2|C<3>,2|H<1>,2|O<1>}	121.1715	0.394	2	121.2957	0.089	4	121.1333	0.117	6	119.8507	2.712	72	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:3:4:1:	3:3:2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6a]-3:N[6a]-3:O[6]-2:	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]N[6a]O[6])(C[6a]N[6a]O)	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6]2H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(N[6a]C[6a]C)(O[6]C[6])	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]N[6a]O[6])(C[6a]N[6a]O){1|H<1>,3|C<4>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6]2H)(H){1|C<4>,2|C<3>,2|H<1>,2|N<3>,2|O<1>,2|O<2>}	C[6,6a](C[6,6a]C[6,6]C[6a])(N[6a]C[6a]C)(O[6]C[6]){1|C<3>,1|N<3>,2|C<4>,2|H<1>,2|O<1>}	120.7870	0.000	1	120.8085	0.001	2	121.1333	0.117	6	119.8507	2.712	72	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:3:4:1:	3:3:2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6a]-3:N[6a]-3:O[6]-2:	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]N[6a]O[6])(C[6a]N[6a]O)	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6]2H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(N[6a]C[6a]C)(O[6]C[6])	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]N[6a]O[6])(C[6a]N[6a]O){1|H<1>,3|C<4>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6]2H)(H){2|H<1>,2|N<3>,2|O<1>,2|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(N[6a]C[6a]C)(O[6]C[6]){1|C<4>,1|N<3>,2|C<3>,2|H<1>,2|O<1>}	120.8300	0.000	1	120.8085	0.001	2	121.1333	0.117	6	119.8507	2.712	72	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:3:4:1:	3:3:2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a,6a]O[6])(C[6a]O[6a]O)	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6,6]CC)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6]C[6a])(O[6]C[6,6])	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a,6a]O[6])(C[6a]O[6a]O){3|C<4>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6,6]CC)(H){1|H<1>,1|N<3>,1|O<1>,2|O<2>,4|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6]C[6a])(O[6]C[6,6]){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	120.7607	1.257	3	120.7607	1.581	3	121.6085	0.795	13	119.8507	2.712	72	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:3:4:1:	3:3:2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a,6a]O[6])(C[6a]O[6a]O)	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6,6]HH)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6]C[6a])(O[6]C[6,6])	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a,6a]O[6])(C[6a]O[6a]O){1|C<4>,2|H<1>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6,6]HH)(H){1|H<1>,1|N<3>,1|O<1>,2|O<2>,4|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6]C[6a])(O[6]C[6,6]){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	121.8430	0.303	2	121.3520	0.769	3	121.6085	0.795	13	119.8507	2.712	72	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:3:4:1:	3:3:2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a,6a]O[6])(C[6a]O[6a]O)	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6,6]HH)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6]C[6a])(O[6]C[6,6])	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a,6a]O[6])(C[6a]O[6a]O){1|C<4>,2|H<1>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6,6]HH)(H){1|H<1>,1|O<1>,3|O<2>,4|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6]C[6a])(O[6]C[6,6]){1|C<4>,1|O<1>,2|H<1>,2|O<2>,4|C<3>}	120.3700	0.000	1	121.3520	0.769	3	121.6085	0.795	13	119.8507	2.712	72	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:3:4:1:	3:3:2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a,6a]O[6])(C[6a]O[6a]O)	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6]2C)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6]C[6a])(O[6]C[6])	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a,6a]O[6])(C[6a]O[6a]O){1|C<2>,2|C<4>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6]2C)(H){1|N<3>,1|O<1>,2|O<2>,4|C<3>,4|H<1>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6]C[6a])(O[6]C[6]){1|C<4>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	122.5290	0.000	1	122.3400	0.048	4	121.6085	0.795	13	119.8507	2.712	72	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:3:4:1:	3:3:2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a,6a]O[6])(C[6a]O[6a]O)	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6]2C)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6]C[6a])(O[6]C[6])	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a,6a]O[6])(C[6a]O[6a]O){2|C<4>,5|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6]2C)(H){1|O<1>,3|O<2>,4|C<3>,4|H<1>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6]C[6a])(O[6]C[6]){1|C<4>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	122.2770	0.219	3	122.3400	0.048	4	121.6085	0.795	13	119.8507	2.712	72	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:3:4:1:	3:3:2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a,6a]O[6])(C[6a]O[6a]O)	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6]2H)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6]C[6a])(O[6]C[6])	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a,6a]O[6])(C[6a]O[6a]O){1|H<1>,2|C<4>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6]2H)(H){1|O<1>,2|C<4>,3|C<3>,3|H<1>,3|O<2>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6]C[6a])(O[6]C[6]){1|O<1>,1|O<2>,2|H<1>,3|C<3>,3|C<4>}	121.4340	0.000	1	121.7373	0.074	3	121.6085	0.795	13	119.8507	2.712	72	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:3:4:1:	3:3:2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a,6a]O[6])(C[6a]O[6a]O)	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6]2H)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6]C[6a])(O[6]C[6])	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a,6a]O[6])(C[6a]O[6a]O){1|H<1>,2|C<4>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6]2H)(H){1|O<1>,3|C<3>,3|O<2>,5|H<1>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6]C[6a])(O[6]C[6]){1|C<4>,1|O<1>,1|O<2>,3|C<3>,4|H<1>}	121.8890	0.105	2	121.7373	0.074	3	121.6085	0.795	13	119.8507	2.712	72	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:3:4:1:	3:3:2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[5,6]-3:C[6,6]-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6]C[6,6]N[5,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(C[6,6]C[6,6]HH)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6])	C[6,6a](C[6,6]C[6,6]N[5,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(C[6,6]C[6,6]HH)(H){1|N<2>,1|O<2>,1|S<2>,2|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<3>,1|N<2>,1|N<3>,2|C<4>,3|H<1>}	119.6200	0.000	1	119.6200	0.000	1	119.6200	0.000	1	119.8507	2.712	72	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:3:4:1:	3:3:2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]S[6])(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]S[6])	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|S<4>,2|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]S[6])(C[6]C[6]HH)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>,3|O<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]S[6]){1|C<3>,1|C<4>,1|N<3>,2|O<1>,3|H<1>}	121.6670	0.000	1	121.6670	0.000	1	121.6670	0.000	1	119.8507	2.712	72	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:3:4:1:	3:3:3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[5a,6]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6]C[5a,6]C[6,6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2C)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S)	C[6,6a](C[6,6]C[5a,6]C[6,6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<2>,1|C<4>,1|S<4>,2|H<1>,4|C<3>}	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2C)(H){1|C<4>,1|N<2>,1|O<2>,2|H<1>,2|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S){1|C<4>,2|C<3>,3|H<1>}	117.9330	0.000	1	118.1137	0.652	3	118.1137	0.652	3	118.1929	4.439	13	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:3:4:1:	3:3:3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[5a,6]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6]C[5a,6]C[6,6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2C)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S)	C[6,6a](C[6,6]C[5a,6]C[6,6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<2>,1|S<4>,2|C<4>,2|H<1>,3|C<3>}	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2C)(H){1|N<2>,1|O<2>,2|N<3>,4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S){1|C<4>,2|C<3>,5|H<1>}	117.4120	0.000	1	118.1137	0.652	3	118.1137	0.652	3	118.1929	4.439	13	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:3:4:1:	3:3:3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[5a,6]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6]C[5a,6]C[6,6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2C)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S)	C[6,6a](C[6,6]C[5a,6]C[6,6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|S<4>,2|C<4>,2|H<1>,4|C<3>}	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2C)(H){1|C<4>,1|N<2>,1|O<2>,2|N<3>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S){1|C<4>,2|C<3>,5|H<1>}	118.9960	0.000	1	118.1137	0.652	3	118.1137	0.652	3	118.1929	4.439	13	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:3:4:1:	3:3:3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6,6a]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H){1|C<4>,3|H<1>,5|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6,6a]C[6]H)(H){1|C<4>,4|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	118.3520	0.000	1	118.3520	0.000	1	118.3520	0.000	1	118.1929	4.439	13	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:3:4:1:	3:3:3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6,6]CC)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6,6]C)	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>,4|C<4>}	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6,6]CC)(H){1|H<1>,1|N<3>,1|O<1>,2|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6,6]C){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	115.6600	0.000	1	115.6600	0.000	1	116.9185	0.666	6	118.1929	4.439	13	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:3:4:1:	3:3:3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6,6]CC)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6,6]H)	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|O<2>,2|H<1>,3|C<3>,3|C<4>}	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6,6]CC)(H){1|H<1>,1|N<3>,1|O<1>,2|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6,6]H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	117.8050	0.107	2	117.8050	0.012	2	116.9185	0.666	6	118.1929	4.439	13	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:3:4:1:	3:3:3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6,6]HH)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6,6]C)	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6,6]HH)(H){1|H<1>,1|N<3>,1|O<1>,2|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6,6]C){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	116.7430	0.274	2	116.7430	0.075	2	116.9185	0.666	6	118.1929	4.439	13	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:3:4:1:	3:3:3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6]2C)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S)	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<2>,1|S<4>,2|C<4>,2|H<1>,3|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6]2C)(H){1|N<3>,1|O<1>,2|O<2>,4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S){1|C<4>,2|C<3>,5|H<1>}	116.7550	0.000	1	116.7550	0.000	1	116.9185	0.666	6	118.1929	4.439	13	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:3:4:1:	3:3:3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]N[6])(C[6]C[6]CC)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]H)	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<2>,2|C<4>,3|C<3>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]N[6])(C[6]C[6]CC)(H){1|C<4>,2|C<2>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	117.2140	0.000	1	117.2140	0.000	1	117.2140	0.000	1	118.1929	4.439	13	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:3:4:1:	3:3:3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C)(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6,6]C)	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C)(C[6]C[6]HH)(H){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6,6]C){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	122.5450	0.096	2	122.5450	0.009	2	122.5450	0.009	2	118.1929	4.439	13	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:3:4:1:	3:3:4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,6|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(H){2|C<3>,3|C<4>,5|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	122.4310	0.000	1	122.4310	0.000	1	122.4310	0.000	1	121.3054	2.731	36	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:3:4:1:	3:3:4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[5a,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]N[6]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	C[6,6](C[6,6a]C[5a,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]N[6]H)(H){2|C<4>,4|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]HH){2|C<3>,2|C<4>,3|H<1>}	120.5730	0.000	1	120.5730	0.000	1	120.3990	0.061	2	121.3054	2.731	36	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:3:4:1:	3:3:4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6,6a]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,4|C<3>,5|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6,6a]C[6]H)(H){1|C<4>,4|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,2|C<3>,5|H<1>}	120.2250	0.000	1	120.2250	0.000	1	120.3990	0.061	2	121.3054	2.731	36	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:3:4:1:	3:3:4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6,6]HS)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H){1|C<4>,1|S<4>,4|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6,6]HS)(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	119.9190	0.000	1	119.9190	0.000	1	119.9190	0.000	1	121.3054	2.731	36	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:3:4:1:	3:3:4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6,6]-3:C[6,6]-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6]C[6,6]N[6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(C[6,6]C[6]3)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6]C[6,6]N[6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<4>,4|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(C[6,6]C[6]3)(H){1|C<4>,1|O<2>,2|O<1>,5|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	120.5880	0.000	1	120.5880	0.000	1	120.5880	0.000	1	121.3054	2.731	36	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:3:4:1:	3:3:4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<2>,2|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(C[6]C[6]CH)(H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	120.0490	0.000	1	120.0490	0.000	1	121.3954	2.998	31	121.3054	2.731	36	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:3:4:1:	3:3:4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(C[6]S[6]CH)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|S<4>,2|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(C[6]S[6]CH)(H){1|C<4>,1|N<3>,2|O<1>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	121.7120	0.000	1	121.7120	0.000	1	121.3954	2.998	31	121.3054	2.731	36	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:3:4:1:	3:3:4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(C[6]C[6]CH)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(C[6]C[6]CH)(H){1|C<4>,4|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	118.6080	0.000	1	119.2615	0.854	2	121.3954	2.998	31	121.3054	2.731	36	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:3:4:1:	3:3:4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(C[6]C[6]CH)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<4>,3|C<3>,5|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(C[6]C[6]CH)(H){1|C<4>,4|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	119.9150	0.000	1	119.2615	0.854	2	121.3954	2.998	31	121.3054	2.731	36	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:3:4:1:	3:3:4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]CH)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]CH)(H){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|N<3>,1|O<2>,2|C<4>,3|H<1>}	116.3600	0.000	1	121.3064	4.635	8	121.3954	2.998	31	121.3054	2.731	36	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:3:4:1:	3:3:4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]CH)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]CH)(H){2|C<3>,2|C<4>,7|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	121.3460	0.301	4	121.3064	4.635	8	121.3954	2.998	31	121.3054	2.731	36	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:3:4:1:	3:3:4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]CH)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]CH)(H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	122.7320	0.000	1	121.3064	4.635	8	121.3954	2.998	31	121.3054	2.731	36	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:3:4:1:	3:3:4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]CH)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]CH)(H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	122.9875	0.129	2	121.3064	4.635	8	121.3954	2.998	31	121.3054	2.731	36	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:3:4:1:	3:3:4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,3|C<4>,6|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]HH)(H){2|C<4>,3|C<3>,6|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	121.3370	0.000	1	121.4755	0.038	2	121.3954	2.998	31	121.3054	2.731	36	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:3:4:1:	3:3:4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	121.6140	0.000	1	121.4755	0.038	2	121.3954	2.998	31	121.3054	2.731	36	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:3:4:1:	3:3:4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]HN)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|N<3>,3|C<4>,5|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]HN)(H){2|C<4>,3|C<3>,6|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	121.2650	0.547	2	121.5747	0.233	4	121.3954	2.998	31	121.3054	2.731	36	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:3:4:1:	3:3:4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]HN)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]HN)(H){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	121.8845	0.121	2	121.5747	0.233	4	121.3954	2.998	31	121.3054	2.731	36	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:3:4:1:	3:3:4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]HO)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]HO)(H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	122.9220	0.000	1	122.9220	0.000	1	121.3954	2.998	31	121.3054	2.731	36	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:3:4:1:	3:3:4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]N[6]HH)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,6|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]N[6]HH)(H){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	121.7630	0.000	1	121.8948	0.042	5	121.3954	2.998	31	121.3054	2.731	36	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:3:4:1:	3:3:4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]N[6]HH)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,6|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]N[6]HH)(H){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	121.9278	0.222	4	121.8948	0.042	5	121.3954	2.998	31	121.3054	2.731	36	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:3:4:1:	3:3:4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]O[6]CH)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]O[6]CH)(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	115.6870	0.000	1	115.6870	0.000	1	121.3954	2.998	31	121.3054	2.731	36	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:3:4:1:	3:3:4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]S[6])(C[6]C[6]CH)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|O<2>,1|S<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]S[6])(C[6]C[6]CH)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	122.2115	0.425	2	122.2115	0.181	2	121.3954	2.998	31	121.3054	2.731	36	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:3:4:1:	3:3:4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]S[6])(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|O<2>,1|S<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]S[6])(C[6]C[6]HH)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	122.6010	0.000	1	122.6010	0.000	1	121.3954	2.998	31	121.3054	2.731	36	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:3:4:1:	3:3:4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){2|C<3>,2|C<4>,6|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,2|O<2>,3|H<1>}	122.7220	0.223	3	122.7220	0.050	3	121.3954	2.998	31	121.3054	2.731	36	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:3:4:1:	3:4:2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6a]-3:C[6]-4:O[6a]-2:	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]O[6a]C[6])(C[6a]C[6a]O)	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HO)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HO)(O[6a]C[6a])	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]O[6a]C[6])(C[6a]C[6a]O){1|C<4>,2|O<2>,3|C<3>,3|H<1>}	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HO)(H){1|C<4>,1|H<1>,1|O<1>,2|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HO)(O[6a]C[6a]){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	121.6750	0.000	1	121.6750	0.000	1	121.6750	0.000	1	121.6750	0.000	1	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:3:4:1:	3:4:3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]C)	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6,6]HH)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]O)	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]C){1|C<4>,1|O<2>,3|C<3>,5|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6,6]HH)(H){2|H<1>,3|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]O){2|C<3>,3|C<4>,3|H<1>}	117.9150	0.000	1	117.9150	0.000	1	119.7760	1.157	7	119.8222	1.009	8	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:3:4:1:	3:4:3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6,6]HH)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]CH)(C[6a]C[6a]H)	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6,6]HH)(H){2|H<1>,3|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]CH)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	120.6710	0.000	1	120.6710	0.000	1	119.7760	1.157	7	119.8222	1.009	8	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:3:4:1:	3:4:3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6,6]HS)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,1|S<4>,3|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6,6]HS)(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	119.9530	0.000	1	119.7170	0.407	4	119.7760	1.157	7	119.8222	1.009	8	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:3:4:1:	3:4:3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6,6]HS)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|S<4>,3|C<3>,5|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6,6]HS)(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	119.6383	0.757	3	119.7170	0.407	4	119.7760	1.157	7	119.8222	1.009	8	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:3:4:1:	3:4:3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6]2C)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,3|H<1>,6|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6]2C)(H){1|C<4>,1|O<1>,1|O<2>,4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<4>,4|C<3>,5|H<1>}	120.9780	0.000	1	120.9780	0.000	1	119.7760	1.157	7	119.8222	1.009	8	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:3:4:1:	3:4:3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C)(C[6]O[6]HS)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,1|S<2>,2|C<3>,5|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C)(C[6]O[6]HS)(H){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	120.1460	0.000	1	120.1460	0.000	1	120.1460	0.000	1	119.8222	1.009	8	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:3:4:2:	3:3:3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:O-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6]C[6,6a]C[6,6]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6a]C[6]2)(OC)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6]C[6,6a]C[6,6]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){3|H<1>,6|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6a]C[6]2)(OC){4|H<1>,8|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	118.1370	1.021	2	118.1370	1.043	2	119.1347	3.507	3	119.1347	3.507	3	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:3:4:2:	3:3:3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:O-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6]C[6,6a]C[6,6]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	C[6,6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(OH)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6]C[6,6a]C[6,6]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|C<4>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[6,6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(OH){1|O<2>,3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	121.1300	0.000	1	121.1300	0.000	1	119.1347	3.507	3	119.1347	3.507	3	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:3:4:2:	3:3:4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-3:C[6]-4:O-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6]C[6,6]C[6]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]C)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6])(C[6]O[6]HH)(OH)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]C)(C[6]C[6]HH)	C[6,6a](C[6,6]C[6,6]C[6]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]C){1|C<4>,1|O<2>,3|C<3>,5|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6])(C[6]O[6]HH)(OH){1|H<1>,2|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]C)(C[6]C[6]HH){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	120.4350	0.000	1	120.4350	0.000	1	120.4350	0.000	1	120.4350	0.000	1	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:3:4:3:	3:3:2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6]-4:C[6]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6]C[6,6a]C[6]2)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6]C[5]O[6]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6]C[6,6a]C[6]2)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6]C[5]O[6]H)(C[6]C[6]H){1|N<3>,1|O<2>,2|C<4>,4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,3|C<3>,3|H<1>}	122.4720	0.000	1	122.4720	0.000	1	122.4720	0.000	1	122.4720	0.000	1	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:3:4:3:	3:3:3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6]-4:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6]C[6,6a]C[6]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6]C[6,6a]C[6]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,4|H<1>,5|C<3>}	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(C[6]C[6]O){1|O<2>,4|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,3|C<3>,3|H<1>}	121.2300	0.000	1	121.2300	0.000	1	121.2300	0.000	1	121.2300	0.000	1	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:3:4:3:	3:3:4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6]-4:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6]C[6,6a]C[6]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6]C[5]O[6]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]HH)	C[6,6a](C[6,6]C[6,6a]C[6]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,4|C<3>,6|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6]C[5]O[6]H)(C[6]C[6]H){1|N<3>,1|O<2>,2|C<4>,4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]HH){1|C<4>,2|H<1>,3|C<3>}	120.3220	0.000	1	120.3220	0.000	1	120.3220	0.000	1	120.3220	0.000	1	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:3:4:3:	3:4:3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-3:C[6]-4:N-3:	C[6,6a]-3:C[6]-4:N[6a]-3:	C[6,6a](C[6,6]C[6,6]C[6]N)(C[6,6a]N[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C)(C[6]C[6]HH)(NHH)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(N[6a]C[6a]H)	C[6,6a](C[6,6]C[6,6]C[6]N)(C[6,6a]N[6a]C[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,6|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C)(C[6]C[6]HH)(NHH){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(N[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	121.7632	0.525	8	121.7632	0.275	8	121.7632	0.275	8	121.7632	0.275	8	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:3:4:4:	3:3:2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[5a,6]-3:C[6,6a]-3:C[3x6]-4:C-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6]C[5a,6]C[3x6]C)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]2H)(CH3)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6])	C[6,6a](C[6,6]C[5a,6]C[3x6]C)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]2H)(CH3){1|N<2>,1|N<3>,2|C<3>,2|O<2>,3|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6]){2|C<3>,3|C<4>,3|H<1>}	121.3970	0.000	1	121.3970	0.000	1	121.3970	0.000	1	120.4963	1.564	11	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:3:4:4:	3:3:2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[5a,6]-3:C[6,6a]-3:C[6,6]-4:C-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6]C[5a,6]C[6,6]C)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(CH3)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6]C[5a,6]C[6,6]C)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|Cl<1>,2|C<4>,2|H<1>,3|C<3>}	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(CH3){1|N<2>,2|C<4>,3|C<3>,3|H<1>,3|O<2>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){2|C<3>,2|C<4>,4|H<1>}	121.4520	0.000	1	121.5093	0.673	3	121.5093	0.673	3	120.4963	1.564	11	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:3:4:4:	3:3:2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[5a,6]-3:C[6,6a]-3:C[6,6]-4:C-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6]C[5a,6]C[6,6]C)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(CH3)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6]C[5a,6]C[6,6]C)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(CH3){1|C<4>,1|N<2>,1|N<3>,2|O<2>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){2|C<3>,2|C<4>,4|H<1>}	122.3570	0.000	1	121.5093	0.673	3	121.5093	0.673	3	120.4963	1.564	11	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:3:4:4:	3:3:2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[5a,6]-3:C[6,6a]-3:C[6,6]-4:C-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6]C[5a,6]C[6,6]C)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(CH3)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6]C[5a,6]C[6,6]C)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(CH3){1|N<2>,1|N<3>,2|C<3>,2|O<2>,3|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){2|C<3>,2|C<4>,4|H<1>}	120.7190	0.000	1	121.5093	0.673	3	121.5093	0.673	3	120.4963	1.564	11	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:3:4:4:	3:3:2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:C-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6]C[6,6a]C[6,6]C)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6,6]HH)(CH3)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6])	C[6,6a](C[6,6]C[6,6a]C[6,6]C)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6,6]HH)(CH3){2|H<1>,2|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6]){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	118.8825	0.711	2	119.2785	0.755	4	119.2785	0.755	4	120.4963	1.564	11	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:3:4:4:	3:3:2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:C-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6]C[6,6a]C[6,6]C)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6,6]HH)(CH3)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6])	C[6,6a](C[6,6]C[6,6a]C[6,6]C)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6,6]HH)(CH3){2|H<1>,3|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6]){1|H<1>,2|C<3>,2|O<2>,3|C<4>}	119.6745	1.064	2	119.2785	0.755	4	119.2785	0.755	4	120.4963	1.564	11	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:3:4:4:	3:3:2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:Si[6]-4:C[6]-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6]C[6,6a]Si[6]C[6])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])2(Si[6]C[6a]C[6]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a])	C[6,6a](C[6,6]C[6,6a]Si[6]C[6])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,5|C<3>,5|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])2(Si[6]C[6a]C[6]H)(C[6]C[6]HH){1|C<4>,1|O<2>,4|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6a]){1|Si<4>,1|C<4>,2|H<1>,3|C<3>}	121.3330	0.506	2	121.3330	0.256	2	121.3330	0.256	2	120.4963	1.564	11	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:3:4:4:	3:3:2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6,6]-3:C[6]-4:P-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6]N[6,6]C[6]P)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]S[6])(C[6]C[6]HH)(PO3)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]S[6])	C[6,6a](C[6,6]N[6,6]C[6]P)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|S<4>,3|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]S[6])(C[6]C[6]HH)(PO3){1|H<1>,1|O<2>,3|O<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]S[6]){1|C<3>,1|C<4>,1|N<3>,1|P<4>,2|H<1>,2|O<1>}	119.7540	0.000	1	119.7540	0.000	1	119.7540	0.000	1	120.4963	1.564	11	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:3:4:4:	3:3:3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6,6]-3:C[6]-4:C-4:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6]C[5,6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6,6]C[5,6]2)(C[6]C[6]HH)(CH3)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6]C[5,6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6,6]C[5,6]2)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[5,6]O)(C[6a]C[6a]H){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	123.8380	0.000	1	123.8380	0.000	1	123.8380	0.000	1	121.6704	1.382	17	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:3:4:4:	3:3:3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5a,6,6]-3:C[6]-4:C-4:	C[5,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6]C[5a,6,6]C[6]C)(C[6,6a]C[5,6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5a,6,6]C[5a,6]2)(C[6]C[6]HO)(CH3)	C[6,6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6,6]C[6a])(C[6]C[5a,6]O)	C[6,6a](C[6,6]C[5a,6,6]C[6]C)(C[6,6a]C[5,6a]C[6])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5a,6,6]C[5a,6]2)(C[6]C[6]HO)(CH3){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6,6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6,6]C[6a])(C[6]C[5a,6]O){1|O<2>,2|C<3>,3|H<1>,4|C<4>}	122.4550	0.000	1	122.4257	0.002	3	122.1418	0.152	5	121.6704	1.382	17	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:3:4:4:	3:3:3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5a,6,6]-3:C[6]-4:C-4:	C[5,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6]C[5a,6,6]C[6]C)(C[6,6a]C[5,6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5a,6,6]C[5a,6]2)(C[6]C[6]HO)(CH3)	C[6,6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6,6]C[6a])(C[6]C[5a,6]O)	C[6,6a](C[6,6]C[5a,6,6]C[6]C)(C[6,6a]C[5,6a]C[6])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5a,6,6]C[5a,6]2)(C[6]C[6]HO)(CH3){1|C<4>,2|H<1>,2|O<2>,4|C<3>}	C[6,6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6,6]C[6a])(C[6]C[5a,6]O){1|O<2>,3|C<3>,3|C<4>,3|H<1>}	122.4110	0.054	2	122.4257	0.002	3	122.1418	0.152	5	121.6704	1.382	17	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:3:4:4:	3:3:3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5a,6,6]-3:C[6]-4:C-4:	C[5,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6]C[5a,6,6]C[6]C)(C[6,6a]C[5,6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5a,6,6]C[5a,6]2)(C[6]C[6]SiH)(CH3)	C[6,6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6,6]C[6a])(C[6]C[5a,6]O)	C[6,6a](C[6,6]C[5a,6,6]C[6]C)(C[6,6a]C[5,6a]C[6])(C[6a]C[6a]H){1|Si<4>,1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5a,6,6]C[5a,6]2)(C[6]C[6]SiH)(CH3){1|O<2>,2|H<1>,5|C<3>}	C[6,6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6,6]C[6a])(C[6]C[5a,6]O){1|O<2>,3|C<3>,3|C<4>,3|H<1>}	121.7340	0.000	1	121.7160	0.001	2	122.1418	0.152	5	121.6704	1.382	17	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:3:4:4:	3:3:3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5a,6,6]-3:C[6]-4:C-4:	C[5,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6]C[5a,6,6]C[6]C)(C[6,6a]C[5,6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5a,6,6]C[5a,6]2)(C[6]C[6]SiH)(CH3)	C[6,6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6,6]C[6a])(C[6]C[5a,6]O)	C[6,6a](C[6,6]C[5a,6,6]C[6]C)(C[6,6a]C[5,6a]C[6])(C[6a]C[6a]H){1|Si<4>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5a,6,6]C[5a,6]2)(C[6]C[6]SiH)(CH3){1|C<4>,2|H<1>,2|O<2>,4|C<3>}	C[6,6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6,6]C[6a])(C[6]C[5a,6]O){1|O<2>,3|C<3>,3|C<4>,3|H<1>}	121.6980	0.000	1	121.7160	0.001	2	122.1418	0.152	5	121.6704	1.382	17	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:3:4:4:	3:3:3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5a,6,6]-3:C[6]-4:C-4:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6]C[5a,6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5a,6,6]C[5a,6]2)(C[6]C[6]HO)(CH3)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[5a,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6]C[5a,6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5a,6,6]C[5a,6]2)(C[6]C[6]HO)(CH3){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[5a,6]O)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	121.2710	0.000	1	121.2710	0.000	1	121.4170	0.043	2	121.6704	1.382	17	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:3:4:4:	3:3:3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5a,6,6]-3:C[6]-4:C-4:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6]C[5a,6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5a,6,6]C[5a,6]2)(C[6]O[6]CH)(CH3)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[5a,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6]C[5a,6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5a,6,6]C[5a,6]2)(C[6]O[6]CH)(CH3){1|H<1>,1|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[5a,6]O)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	121.5630	0.000	1	121.5630	0.000	1	121.4170	0.043	2	121.6704	1.382	17	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:3:4:4:	3:3:3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5a,6,6]-3:C[6]-4:C-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6]C[5a,6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5a,6,6]C[5a,6]2)(C[6]C[6]HH)(CH3)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5,6a]H)(C[6]C[5a,6]O)	C[6,6a](C[6,6]C[5a,6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5a,6,6]C[5a,6]2)(C[6]C[6]HH)(CH3){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5,6a]H)(C[6]C[5a,6]O){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	121.0090	0.000	1	121.0090	0.000	1	120.5270	0.175	3	121.6704	1.382	17	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:3:4:4:	3:3:3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5a,6,6]-3:C[6]-4:C-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6]C[5a,6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5a,6,6]C[5a,6]2)(C[6]C[6]HH)(CH3)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a,6a]H)(C[6]C[5a,6]O)	C[6,6a](C[6,6]C[5a,6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5a,6,6]C[5a,6]2)(C[6]C[6]HH)(CH3){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a,6a]H)(C[6]C[5a,6]O){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	120.2860	0.037	2	120.2860	0.001	2	120.5270	0.175	3	121.6704	1.382	17	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:3:4:4:	3:3:3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-3:C[6]-4:C-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]O)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5,6a]O)(C[6]C[6]O)	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]O){1|O<1>,2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|O<2>,3|C<3>,3|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5,6a]O)(C[6]C[6]O){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	121.3090	0.000	1	121.3090	0.000	1	122.1078	0.649	5	121.6704	1.382	17	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:3:4:4:	3:3:3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-3:C[6]-4:C-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(CH3)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]O)	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(CH3){1|C<4>,4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]O){2|C<3>,2|C<4>,3|H<1>}	121.1850	0.000	1	121.1850	0.000	1	122.1078	0.649	5	121.6704	1.382	17	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:3:4:4:	3:3:3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-3:C[6]-4:C-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]C[6])(C[6]C[6]O)	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){1|O<2>,3|C<3>,3|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]C[6])(C[6]C[6]O){1|H<1>,2|C<4>,2|O<2>,4|C<3>}	122.9500	0.000	1	122.9500	0.000	1	122.1078	0.649	5	121.6704	1.382	17	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:3:4:4:	3:3:3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-3:C[6]-4:C-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH)(CH3)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH)(CH3){2|H<1>,2|O<2>,3|C<3>,3|C<4>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O){2|C<3>,2|O<2>,3|C<4>}	122.5475	0.100	2	122.5475	0.010	2	122.1078	0.649	5	121.6704	1.382	17	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:3:4:4:	3:3:3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6,6]-3:C[6]-4:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6]N[6,6]C[6]C)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]HH)(CF3)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6]N[6,6]C[6]C)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,3|H<1>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]HH)(CF3){1|H<1>,1|N<3>,2|O<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	118.8950	0.000	1	118.8950	0.000	1	118.8950	0.000	1	121.6704	1.382	17	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:2:1:	3:3:2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:N[6]-2:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6]C[6,6]N[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CH)(N[6]C[6])(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6])	C[6,6a](C[6,6]C[6,6]N[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CH)(N[6]C[6])(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,1|S<1>,2|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<3>,1|N<2>,1|N<3>,2|C<4>,3|H<1>}	119.0820	0.000	1	119.0820	0.000	1	119.0820	0.000	1	119.5786	0.586	10	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:2:1:	3:3:2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(O[6]C[6,6a])(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(O[6]C[6,6a])(H){2|O<2>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	119.1420	0.540	2	119.1420	0.292	2	119.7299	0.746	7	119.5786	0.586	10	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:2:1:	3:3:2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(O[6]C[6])(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(O[6]C[6])(H){1|O<2>,2|C<3>,4|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	119.6140	0.317	2	119.4713	0.111	3	119.7299	0.746	7	119.5786	0.586	10	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:2:1:	3:3:2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(O[6]C[6])(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(O[6]C[6])(H){1|O<2>,3|C<3>,3|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	119.1860	0.000	1	119.4713	0.111	3	119.7299	0.746	7	119.5786	0.586	10	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:2:1:	3:3:2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]N[6]H)(O[6]C[6])(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]N[6]H)(O[6]C[6])(H){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	119.9410	0.000	1	119.9410	0.000	1	119.7299	0.746	7	119.5786	0.586	10	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:2:1:	3:3:2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]O)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]C)(O[6]C[6])	C[6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]O){1|H<1>,3|C<3>,3|C<4>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(H){1|H<1>,2|O<2>,3|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]C)(O[6]C[6]){1|C<3>,1|H<1>,3|C<4>,3|O<2>}	121.4700	0.000	1	121.4700	0.000	1	119.7299	0.746	7	119.5786	0.586	10	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:2:1:	3:3:2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:O[6,6]-2:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6]O[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(O[6,6]C[6,6])(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6])	C[6,6a](C[6,6]O[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,2|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(O[6,6]C[6,6])(H){1|C<4>,1|H<1>,1|N<2>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6]){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	119.6390	0.000	1	119.6390	0.000	1	119.2975	0.233	2	119.5786	0.586	10	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:2:1:	3:3:2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:O[6,6]-2:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6]O[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HO)(O[6,6]C[6,6])(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)(O[6]C[6,6])	C[6,6a](C[6,6]O[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HO)(O[6,6]C[6,6])(H){1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)(O[6]C[6,6]){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	118.9560	0.000	1	118.9560	0.000	1	119.2975	0.233	2	119.5786	0.586	10	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:2:1:	3:3:3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[3x6]-4:O[6]-2:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6]C[3x6]O[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]2H)(O[6]C[6])(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6,6]H)	C[6,6a](C[6,6]C[3x6]O[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]2H)(O[6]C[6])(H){1|N<3>,1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6,6]H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	119.6990	0.000	1	119.6990	0.000	1	119.6990	0.000	1	119.2762	1.314	29	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:2:1:	3:3:3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CH)(O[6]C[6,6a])(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CH)(O[6]C[6,6a])(H){1|C<4>,1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]O)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	120.6733	0.060	3	120.6733	0.004	3	120.6733	0.004	3	119.2762	1.314	29	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:2:1:	3:3:3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2S)(O[6]C[6,6a])(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]H)	C[6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,1|S<4>,2|H<1>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2S)(O[6]C[6,6a])(H){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]H){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	118.2468	0.479	5	118.2468	0.230	5	117.9653	0.498	9	119.2762	1.314	29	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:2:1:	3:3:3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(O[6]C[6])(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]O)	C[6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>,2|O<2>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(O[6]C[6])(H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]O){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	118.8770	0.000	1	118.8770	0.000	1	117.9653	0.498	9	119.2762	1.314	29	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:2:1:	3:3:3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(O[6]C[6])(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]O)	C[6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|C<3>,1|O<1>,2|C<4>,2|H<1>,2|O<2>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(O[6]C[6])(H){2|C<4>,2|H<1>,2|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]O){1|C<3>,1|C<4>,1|H<1>,3|O<2>}	117.1923	0.151	3	117.1923	0.023	3	117.9653	0.498	9	119.2762	1.314	29	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:2:1:	3:3:3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]Cl)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(O[6]C[6])(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]Cl){1|C<3>,1|F<1>,3|C<4>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(O[6]C[6])(H){1|Cl<1>,1|C<4>,1|N<3>,3|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|Cl<1>,1|C<4>,1|O<2>,2|C<3>,3|H<1>}	120.2720	0.076	2	120.2720	0.006	2	119.7251	0.539	16	119.2762	1.314	29	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:2:1:	3:3:3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(O[6]C[6])(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]C)(N[6]C[6,6]H)	C[6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(O[6]C[6])(H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]C)(N[6]C[6,6]H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	118.7270	0.000	1	118.7270	0.000	1	119.7251	0.539	16	119.2762	1.314	29	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:2:1:	3:3:3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(O[6]C[6])(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6,6]H)	C[6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(O[6]C[6])(H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6,6]H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	118.8457	0.175	3	118.7365	0.068	4	119.7251	0.539	16	119.2762	1.314	29	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:2:1:	3:3:3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(O[6]C[6])(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6,6]H)	C[6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(O[6]C[6])(H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6,6]H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	118.4090	0.000	1	118.7365	0.068	4	119.7251	0.539	16	119.2762	1.314	29	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:2:1:	3:3:3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(O[6]C[6])(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<3>,1|F<1>,3|C<4>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(O[6]C[6])(H){1|C<4>,1|N<3>,3|C<3>,6|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	120.3130	0.000	1	120.1539	0.090	9	119.7251	0.539	16	119.2762	1.314	29	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:2:1:	3:3:3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(O[6]C[6])(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<3>,1|F<1>,3|C<4>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(O[6]C[6])(H){1|C<4>,1|N<3>,3|C<3>,6|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|Cl<1>,1|C<4>,1|O<2>,2|C<3>,3|H<1>}	120.1220	0.431	2	120.1539	0.090	9	119.7251	0.539	16	119.2762	1.314	29	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:2:1:	3:3:3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(O[6]C[6])(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(O[6]C[6])(H){1|C<4>,1|N<3>,3|C<3>,6|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	120.0640	0.000	1	120.1539	0.090	9	119.7251	0.539	16	119.2762	1.314	29	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:2:1:	3:3:3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(O[6]C[6])(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(O[6]C[6])(H){1|C<4>,1|N<3>,3|C<3>,6|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	120.2883	0.209	4	120.1539	0.090	9	119.7251	0.539	16	119.2762	1.314	29	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:2:1:	3:3:3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(O[6]C[6])(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<3>,3|H<1>,4|C<4>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(O[6]C[6])(H){1|C<4>,1|N<3>,3|C<3>,6|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	119.6110	0.000	1	120.1539	0.090	9	119.7251	0.539	16	119.2762	1.314	29	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:2:1:	3:3:4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2S)(O[6]C[6,6a])(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]HH)	C[6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,1|S<4>,3|C<3>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2S)(O[6]C[6,6a])(H){1|H<1>,1|O<1>,1|O<2>,2|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]HH){1|C<3>,2|C<4>,2|H<1>,3|O<2>}	121.3610	0.000	1	121.3610	0.000	1	120.9022	0.386	5	120.9022	0.386	5	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:2:1:	3:3:4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]N[6]H)(O[6]C[6])(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]N[6]H)(O[6]C[6])(H){1|O<2>,1|S<4>,2|C<3>,3|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]HH){1|C<3>,1|C<4>,1|O<2>,1|S<4>,3|H<1>}	120.9600	0.000	1	120.9600	0.000	1	120.9022	0.386	5	120.9022	0.386	5	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:2:1:	3:3:4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(O[6]C[6])(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]CH)	C[6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,2|O<2>,3|C<4>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(O[6]C[6])(H){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]CH){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	121.0750	0.000	1	121.1810	0.022	2	120.9022	0.386	5	120.9022	0.386	5	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:2:1:	3:3:4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(O[6]C[6])(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]CH)	C[6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,2|O<2>,3|C<4>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(O[6]C[6])(H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]CH){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	121.2870	0.000	1	121.1810	0.022	2	120.9022	0.386	5	120.9022	0.386	5	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:2:1:	3:3:4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(O[6]C[6])(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]HH)	C[6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(O[6]C[6])(H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]HH){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	119.8280	0.000	1	119.8280	0.000	1	120.9022	0.386	5	120.9022	0.386	5	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:2:1:	3:4:3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(O[6]Si[6])(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[5,6]HO)(C[6a]C[6a]H)	C[6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|Si<4>,1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(O[6]Si[6])(H){1|H<1>,2|O<2>,3|C<3>,5|C<4>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[5,6]HO)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	116.6590	0.000	1	116.6590	0.000	1	119.8657	7.755	3	120.2264	4.182	5	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:2:1:	3:4:3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]CH)(C[6a]C[6a]H)	C[6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(H){3|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]CH)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	121.2610	0.000	1	121.2610	0.000	1	119.8657	7.755	3	120.2264	4.182	5	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:2:1:	3:4:3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(O[6]C[6,6a])(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]CH)(C[6a]C[6a]H)	C[6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(O[6]C[6,6a])(H){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]CH)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	121.6770	0.000	1	121.6770	0.000	1	119.8657	7.755	3	120.2264	4.182	5	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:2:1:	3:4:3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:O[6,6]-2:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6]O[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CH)(O[6,6]C[6,6])(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]CH)(C[6a]C[6a]H)	C[6,6a](C[6,6]O[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CH)(O[6,6]C[6,6])(H){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]CH)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	120.7675	0.493	2	120.7675	0.243	2	120.7675	0.243	2	120.2264	4.182	5	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:2:2:	3:3:3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:O[6]-2:O-2:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6]C[6,6]O[6]O)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]Cl)(O[6]C[6])(OH)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6]C[6,6]O[6]O)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|Cl<1>,2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]Cl)(O[6]C[6])(OH){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,4|C<4>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|C<4>,1|O<1>,2|H<1>,2|O<2>}	117.0710	0.000	1	117.0710	0.000	1	117.0710	0.000	1	117.0710	0.000	1	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:2:3:	3:3:2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:O[6]-2:N-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a](C[6,6]C[6,6]O[6]N)(C[6,6a]C[6a]S[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(O[6]C[6,6a])(NCH)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(S[6]C[6])	C[6,6a](C[6,6]C[6,6]O[6]N)(C[6,6a]C[6a]S[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(O[6]C[6,6a])(NCH){1|C<2>,1|S<2>,4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(S[6]C[6]){1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	120.8460	0.000	1	120.8460	0.000	1	120.8460	0.000	1	120.8460	0.000	1	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:2:3:	3:3:4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:O[6]-2:N-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6]C[6,6]O[6]N)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(O[6]C[6,6a])(NCH)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6]C[6,6]O[6]N)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(O[6]C[6,6a])(NCH){1|C<4>,4|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	119.5940	0.355	2	119.5940	0.126	2	119.5940	0.126	2	119.5940	0.126	2	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:2:4:	3:3:2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:O[6,6]-2:C-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6]O[6,6]C[6]C)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(O[6,6]C[6,6])(CH3)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6])	C[6,6a](C[6,6]O[6,6]C[6]C)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,2|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(O[6,6]C[6,6])(CH3){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6]){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	119.7510	0.000	1	119.7510	0.000	1	119.7510	0.000	1	119.7510	0.000	1	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:2:4:	3:4:3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:O[6]-2:C[6]-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6]C[6,6]C[6]O[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(O[6]C[6,6a])(C[6]C[6]2H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]CH)(C[6a]C[6a]H)	C[6,6a](C[6,6]C[6,6]C[6]O[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,3|C<3>,3|C<4>,5|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(O[6]C[6,6a])(C[6]C[6]2H){3|C<4>,4|C<3>,6|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]CH)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	121.4360	0.000	1	121.4360	0.000	1	121.4360	0.000	1	121.4360	0.000	1	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:3:1:	3:2:3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6a]-3:N[6a]-2:C[6]-3:	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]N[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]N)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(N[6a]C[6a])(C[6]C[6]H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]N[6a]C[6])(C[6a]C[6a]H){1|N<3>,3|H<1>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]N)(H){1|B<3>,1|N<2>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(N[6a]C[6a])(C[6]C[6]H){2|C<3>,2|C<4>,3|H<1>}	117.7500	0.000	1	117.7500	0.000	1	117.7500	0.000	1	117.7500	0.000	1	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:3:1:	3:3:2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[3x6]-4:C[6,6]-3:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6]C[3x6]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]C[6])(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]Br)(O[6]C[3x6])	C[6,6a](C[6,6]C[3x6]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|Br<1>,1|Cl<1>,1|C<4>,1|H<1>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]C[6])(H){1|H<1>,2|C<3>,2|O<1>,2|O<2>,4|C<4>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]Br)(O[6]C[3x6]){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	116.7230	0.000	1	116.7230	0.000	1	117.4875	1.169	2	119.4731	1.692	47	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:3:1:	3:3:2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[3x6]-4:C[6,6]-3:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6]C[3x6]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]C[6])(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)(O[6]C[3x6])	C[6,6a](C[6,6]C[3x6]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]C[6])(H){1|H<1>,2|C<3>,2|O<1>,2|O<2>,4|C<4>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)(O[6]C[3x6]){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	118.2520	0.000	1	118.2520	0.000	1	117.4875	1.169	2	119.4731	1.692	47	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:3:1:	3:3:2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[3x6]-4:N[6]-3:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6]C[3x6]N[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]2H)(N[6]C[6,6a]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6])	C[6,6a](C[6,6]C[3x6]N[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]2H)(N[6]C[6,6a]H)(H){1|C<4>,2|O<2>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	121.2910	0.000	1	121.2910	0.000	1	121.2910	0.000	1	119.4731	1.692	47	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:3:1:	3:3:2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[5,6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(C[6]C[6,6]O)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5,6a]H)(O[6]C[6])	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[5,6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>,2|O<2>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(C[6]C[6,6]O)(H){1|O<2>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5,6a]H)(O[6]C[6]){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	120.3145	0.456	2	120.3145	0.208	2	119.3575	1.964	26	119.4731	1.692	47	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:3:1:	3:3:2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[5,6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(C[6]C[6,6a]O)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5,6a]H)(O[6]C[6])	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[5,6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>,2|O<2>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(C[6]C[6,6a]O)(H){1|O<2>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5,6a]H)(O[6]C[6]){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	120.0215	0.163	2	120.0215	0.027	2	119.3575	1.964	26	119.4731	1.692	47	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:3:1:	3:3:2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]Br)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]Br){1|C<4>,3|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]H)(H){1|Br<1>,1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|Br<1>,1|C<4>,1|O<1>,2|C<3>,2|H<1>}	119.9070	0.000	1	119.9070	0.000	1	119.3575	1.964	26	119.4731	1.692	47	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:3:1:	3:3:2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]Cl)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(C[6]C[6,6a]O)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]Cl){1|C<4>,1|O<1>,2|C<3>,2|H<1>,2|O<2>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(C[6]C[6,6a]O)(H){1|Cl<1>,1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|Cl<1>,1|C<4>,1|O<2>,2|C<3>,3|H<1>}	120.4490	0.000	1	120.4490	0.000	1	119.3575	1.964	26	119.4731	1.692	47	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:3:1:	3:3:2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CH)(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6])	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|Br<1>,1|C<4>,2|H<1>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CH)(C[6]C[6]C)(H){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	118.3870	0.000	1	118.3870	0.000	1	119.3575	1.964	26	119.4731	1.692	47	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:3:1:	3:3:2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CH)(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6])	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CH)(C[6]C[6]H)(H){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	120.1180	0.000	1	120.1180	0.000	1	119.3575	1.964	26	119.4731	1.692	47	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:3:1:	3:3:2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6])	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]C)(H){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	117.5320	0.000	1	117.5320	0.000	1	119.3575	1.964	26	119.4731	1.692	47	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:3:1:	3:3:2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]Br)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|Br<1>,1|C<4>,3|C<3>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]Br)(H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	119.1530	0.000	1	119.1530	0.000	1	119.3575	1.964	26	119.4731	1.692	47	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:3:1:	3:3:2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]H)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	120.0870	0.000	1	118.0402	2.454	5	119.3575	1.964	26	119.4731	1.692	47	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:3:1:	3:3:2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]H)(H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	117.7605	1.121	2	118.0402	2.454	5	119.3575	1.964	26	119.4731	1.692	47	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:3:1:	3:3:2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]H)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	117.2965	1.763	2	118.0402	2.454	5	119.3575	1.964	26	119.4731	1.692	47	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:3:1:	3:3:2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]Si)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|Si<4>,1|C<4>,3|C<3>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]Si)(H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	118.3015	0.076	2	118.3015	0.006	2	119.3575	1.964	26	119.4731	1.692	47	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:3:1:	3:3:2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]O[6]O)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]O[6]O)(H){1|O<2>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,2|C<3>,5|H<1>}	120.2130	0.445	2	120.2130	0.198	2	119.3575	1.964	26	119.4731	1.692	47	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:3:1:	3:3:2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(C[6]C[6,6a]N)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>,2|O<2>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(C[6]C[6,6a]N)(H){1|O<2>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	120.9020	0.000	1	120.9020	0.000	1	119.3575	1.964	26	119.4731	1.692	47	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:3:1:	3:3:2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(C[6]C[6,6a]O)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>,2|O<2>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(C[6]C[6,6a]O)(H){1|O<2>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	120.5495	0.018	2	120.5495	0.000	2	119.3575	1.964	26	119.4731	1.692	47	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:3:1:	3:3:2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]O)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]O){2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]H)(H){2|C<3>,2|H<1>,2|O<2>,4|C<4>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|H<1>,1|O<2>,2|C<3>,4|C<4>}	120.1780	0.000	1	120.4577	0.095	3	119.3575	1.964	26	119.4731	1.692	47	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:3:1:	3:3:2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]O)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]O){2|C<4>,3|C<3>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]H)(H){2|C<3>,2|H<1>,2|O<2>,4|C<4>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|H<1>,1|O<2>,2|C<3>,4|C<4>}	120.5975	0.271	2	120.4577	0.095	3	119.3575	1.964	26	119.4731	1.692	47	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:3:1:	3:3:2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]Si)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]Si){1|C<4>,3|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]H)(H){1|Si<4>,1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|Si<4>,1|C<4>,1|O<1>,2|C<3>,2|H<1>}	116.4740	0.000	1	116.4740	0.000	1	119.3575	1.964	26	119.4731	1.692	47	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:3:1:	3:3:2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]S[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(S[6]C[6])	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]S[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]H)(H){1|O<1>,1|O<2>,1|S<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(S[6]C[6]){1|C<4>,3|C<3>,4|H<1>}	117.1110	0.000	1	117.1110	0.000	1	117.1110	0.000	1	119.4731	1.692	47	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:3:1:	3:3:2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:N[6]-3:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6]C[6,6]N[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CH)(N[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6])	C[6,6a](C[6,6]C[6,6]N[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CH)(N[6]C[6]C)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,1|S<1>,2|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<3>,2|C<4>,2|N<3>,3|H<1>}	120.3070	0.000	1	120.3070	0.000	1	119.8464	0.388	16	119.4731	1.692	47	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:3:1:	3:3:2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:N[6]-3:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6]C[6,6]N[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CH)(N[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6])	C[6,6a](C[6,6]C[6,6]N[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CH)(N[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<3>,1|O<2>,2|C<4>,2|H<1>,2|N<3>}	119.1470	0.000	1	119.7010	0.614	2	119.8464	0.388	16	119.4731	1.692	47	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:3:1:	3:3:2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:N[6]-3:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6]C[6,6]N[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CH)(N[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6])	C[6,6a](C[6,6]C[6,6]N[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CH)(N[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,1|S<1>,2|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<3>,2|C<4>,2|N<3>,3|H<1>}	120.2550	0.000	1	119.7010	0.614	2	119.8464	0.388	16	119.4731	1.692	47	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:3:1:	3:3:2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:N[6]-3:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6]C[6,6]N[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CH)(N[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)(O[6]C[6,6])	C[6,6a](C[6,6]C[6,6]N[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CH)(N[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,1|S<1>,2|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)(O[6]C[6,6]){1|C<3>,2|C<4>,2|N<3>,3|H<1>}	118.8600	0.000	1	118.8600	0.000	1	119.8464	0.388	16	119.4731	1.692	47	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:3:1:	3:3:2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:N[6]-3:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6]C[6,6]N[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CH)(N[6]C[6a]C[6])(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]N)(O[6]C[6,6])	C[6,6a](C[6,6]C[6,6]N[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CH)(N[6]C[6a]C[6])(H){1|O<2>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]N)(O[6]C[6,6]){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	120.7100	0.000	1	120.7100	0.000	1	119.8464	0.388	16	119.4731	1.692	47	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:3:1:	3:3:2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:N[6]-3:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6]C[6,6]N[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(N[6]C[5a,6]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6])	C[6,6a](C[6,6]C[6,6]N[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|Br<1>,1|C<4>,2|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(N[6]C[5a,6]H)(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<3>,2|C<4>,2|N<3>,3|H<1>}	120.5200	0.000	1	120.5200	0.000	1	119.8464	0.388	16	119.4731	1.692	47	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:3:1:	3:3:2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:N[6]-3:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6]C[6,6]N[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(N[6]C[5a,6]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)(O[6]C[6,6])	C[6,6a](C[6,6]C[6,6]N[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(N[6]C[5a,6]H)(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)(O[6]C[6,6]){1|C<3>,2|C<4>,2|N<3>,3|H<1>}	119.9437	0.383	4	119.9437	0.147	4	119.8464	0.388	16	119.4731	1.692	47	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:3:1:	3:3:2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:N[6]-3:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6]C[6,6]N[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2C)(N[6]C[6]S)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6]C[6,6]N[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<2>,1|S<4>,2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2C)(N[6]C[6]S)(H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	119.4720	0.000	1	119.4720	0.000	1	119.8464	0.388	16	119.4731	1.692	47	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:3:1:	3:3:2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:N[6]-3:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6]C[6,6]N[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(N[6]C[6,6a]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6]C[6,6]N[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|Br<1>,2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(N[6]C[6,6a]H)(H){1|O<2>,2|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	120.0735	0.646	2	119.9613	0.224	4	119.8464	0.388	16	119.4731	1.692	47	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:3:1:	3:3:2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:N[6]-3:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6]C[6,6]N[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(N[6]C[6,6a]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6]C[6,6]N[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(N[6]C[6,6a]H)(H){1|O<2>,4|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	119.5280	0.000	1	119.9613	0.224	4	119.8464	0.388	16	119.4731	1.692	47	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:3:1:	3:3:2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:N[6]-3:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6]C[6,6]N[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(N[6]C[6,6a]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6]C[6,6]N[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(N[6]C[6,6a]H)(H){1|O<2>,2|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	120.1700	0.000	1	119.9613	0.224	4	119.8464	0.388	16	119.4731	1.692	47	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:3:1:	3:3:2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:N[6]-3:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6]C[6,6]N[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]C)(N[6]C[6,6a]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6]C[6,6]N[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|O<2>,3|H<1>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]C)(N[6]C[6,6a]H)(H){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	118.6510	0.000	1	118.6510	0.000	1	119.8464	0.388	16	119.4731	1.692	47	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:3:1:	3:3:2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6,6]-3:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(C[6,6]C[6]2)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(C[6,6]C[6]2)(H){1|H<1>,2|O<1>,2|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	121.0220	0.000	1	121.0220	0.000	1	121.0220	0.000	1	119.4731	1.692	47	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:3:1:	3:3:3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6,6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6,6]C[5,6]2H)(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[5,6]H)(C[6a]C[6a]H)	C[6,6a](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6,6]C[5,6]2H)(C[6]C[6]H)(H){3|C<3>,3|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[5,6]H)(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	119.5530	0.093	2	119.5530	0.009	2	119.5530	0.009	2	120.1780	2.180	21	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:3:1:	3:3:3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:N[6,6]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6]C[5,6]N[6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H)(N[6,6]C[6]2)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6]C[5,6]N[6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H)(N[6,6]C[6]2)(H){1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	121.0440	0.000	1	121.0440	0.000	1	121.0440	0.000	1	120.1780	2.180	21	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:3:1:	3:3:3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6,6a]N)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]N)(C[6a]C[6a]H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|N<2>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6,6a]N)(H){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]N)(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	120.8653	0.532	4	120.8653	0.283	4	121.1324	0.194	10	120.1780	2.180	21	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:3:1:	3:3:3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6,6a]N)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6,6a]N)(H){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]O)(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	121.6385	0.292	2	121.6385	0.085	2	121.1324	0.194	10	120.1780	2.180	21	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:3:1:	3:3:3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6,6a]O)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|O<1>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6,6a]O)(H){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]O)(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	121.1465	0.067	4	121.1465	0.005	4	121.1324	0.194	10	120.1780	2.180	21	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:3:1:	3:3:3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O)(C[6]C[6]O)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a,6a]O)(C[6]C[6]O)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H){2|C<4>,2|O<1>,2|O<2>,3|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O)(C[6]C[6]O)(H){4|C<3>,6|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a,6a]O)(C[6]C[6]O){1|C<4>,3|C<3>,4|H<1>}	119.0420	0.000	1	119.0420	0.000	1	119.4077	0.112	4	120.1780	2.180	21	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:3:1:	3:3:3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6,6a]O)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]Ir)(C[6]C[6,6]N)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|Ir<8>,1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6,6a]O)(H){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]Ir)(C[6]C[6,6]N){1|C<4>,3|C<3>,4|H<1>}	119.2300	0.000	1	119.2300	0.000	1	119.4077	0.112	4	120.1780	2.180	21	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:3:1:	3:3:3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6,6a]O)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]Pd)(C[6]C[6,6]N)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|Pd<4>,1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6,6a]O)(H){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]Pd)(C[6]C[6,6]N){1|C<4>,3|C<3>,4|H<1>}	119.5730	0.000	1	119.5730	0.000	1	119.4077	0.112	4	120.1780	2.180	21	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:3:1:	3:3:3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,1|O<1>,3|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)(C[6]C[6]H)(H){3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O){1|C<4>,2|C<3>,4|H<1>}	119.7860	0.000	1	119.7860	0.000	1	119.4077	0.112	4	120.1780	2.180	21	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:3:1:	3:3:3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]O)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6,6]C)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|O<1>,3|C<4>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]O)(H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6,6]C){2|C<3>,2|C<4>,4|H<1>}	119.4540	0.000	1	119.4540	0.000	1	118.3970	9.216	3	120.1780	2.180	21	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:3:1:	3:3:3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,5|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]H)(H){1|N<3>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,3|C<3>,4|H<1>}	120.7630	0.000	1	120.7630	0.000	1	118.3970	9.216	3	120.1780	2.180	21	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:3:1:	3:3:3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|S<4>,2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]H)(H){1|O<2>,2|N<3>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S){1|C<4>,3|C<3>,4|H<1>}	114.9740	0.000	1	114.9740	0.000	1	118.3970	9.216	3	120.1780	2.180	21	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:3:1:	3:3:3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:N[6]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6]C[6,6]N[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]H)(N[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6]C[6,6]N[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){4|C<3>,5|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]H)(N[6]C[6]H)(H){1|O<1>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	119.4410	0.000	1	119.4410	0.000	1	119.4410	0.000	1	120.1780	2.180	21	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:3:1:	3:3:4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:N[6,6]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6]C[5,6]N[6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(N[6,6]C[6,6a]C[6])(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6]C[5,6]N[6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<4>,3|C<3>,5|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(N[6,6]C[6,6a]C[6])(H){1|C<4>,1|N<3>,1|O<1>,4|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	122.0685	0.124	2	122.0685	0.015	2	122.0685	0.015	2	121.9236	0.683	32	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:3:1:	3:3:4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]C)(C[6]C[6]HH)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<4>,3|C<3>,5|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H){2|C<4>,3|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]C)(C[6]C[6]HH){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	122.1000	0.000	1	122.1000	0.000	1	121.7885	0.194	2	121.9236	0.683	32	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:3:1:	3:3:4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,6|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]H)(H){2|C<4>,4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,3|H<1>,4|C<3>}	121.4770	0.000	1	121.4770	0.000	1	121.7885	0.194	2	121.9236	0.683	32	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:3:1:	3:3:4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:N[6]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6]C[6,6]N[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]C)(N[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5,6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6]C[6,6]N[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H){1|O<2>,3|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]C)(N[6]C[6]C)(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5,6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	119.5150	0.000	1	119.5150	0.000	1	121.3978	1.175	5	121.9236	0.683	32	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:3:1:	3:3:4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:N[6]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6]C[6,6]N[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]C)(N[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5,6a]H)(C[6]C[6]HO)	C[6,6a](C[6,6]C[6,6]N[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H){2|C<3>,2|H<1>,2|O<2>,4|C<4>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]C)(N[6]C[6]C)(H){1|O<2>,2|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5,6a]H)(C[6]C[6]HO){1|C<3>,1|C<4>,1|N<3>,2|O<2>,3|H<1>}	121.7630	0.000	1	121.7630	0.000	1	121.3978	1.175	5	121.9236	0.683	32	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:3:1:	3:3:4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:N[6]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6]C[6,6]N[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]H)(N[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5,6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6]C[6,6]N[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]H)(N[6]C[6]H)(H){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5,6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,2|O<2>,3|H<1>}	122.3120	0.000	1	122.3120	0.000	1	121.3978	1.175	5	121.9236	0.683	32	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:3:1:	3:3:4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:N[6]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6]C[6,6]N[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]H)(N[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6]C[6,6]N[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,6|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]H)(N[6]C[6]H)(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	121.6995	0.057	2	121.6995	0.003	2	121.3978	1.175	5	121.9236	0.683	32	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:3:1:	3:3:4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:N[6,6]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(N[6,6]C[6]2)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5,6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H){1|C<4>,1|O<2>,3|C<3>,5|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(N[6,6]C[6]2)(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5,6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	122.6672	0.431	4	122.3312	0.382	6	122.0370	0.659	23	121.9236	0.683	32	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:3:1:	3:3:4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:N[6,6]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(N[6,6]C[6]2)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5,6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(N[6,6]C[6]2)(H){1|C<4>,4|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5,6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	121.6590	0.007	2	122.3312	0.382	6	122.0370	0.659	23	121.9236	0.683	32	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:3:1:	3:3:4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:N[6,6]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]HH)(N[6,6]C[6]2)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,6|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]HH)(N[6,6]C[6]2)(H){1|O<1>,1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	120.0570	0.000	1	120.0570	0.000	1	122.0370	0.659	23	121.9236	0.683	32	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:3:1:	3:3:4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:N[6,6]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(N[6,6]C[6]2)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|Br<1>,2|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(N[6,6]C[6]2)(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	122.7900	0.000	1	122.7900	0.000	1	122.0370	0.659	23	121.9236	0.683	32	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:3:1:	3:3:4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:N[6,6]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)(N[6,6]C[6]2)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)(N[6,6]C[6]2)(H){1|C<4>,4|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	122.6040	0.000	1	122.6040	0.000	1	122.0370	0.659	23	121.9236	0.683	32	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:3:1:	3:3:4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:N[6,6]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(N[6,6]C[6]2)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,5|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(N[6,6]C[6]2)(H){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	120.2550	0.000	1	120.2550	0.000	1	122.0370	0.659	23	121.9236	0.683	32	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:3:1:	3:3:4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:N[6,6]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CH)(N[6,6]C[6]2)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CH)(N[6,6]C[6]2)(H){1|C<4>,4|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	121.7950	0.000	1	121.7950	0.000	1	122.0370	0.659	23	121.9236	0.683	32	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:3:1:	3:3:4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:N[6,6]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(N[6,6]C[6]2)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,5|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(N[6,6]C[6]2)(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	122.5925	0.767	2	122.2302	0.217	11	122.0370	0.659	23	121.9236	0.683	32	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:3:1:	3:3:4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:N[6,6]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(N[6,6]C[6]2)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(N[6,6]C[6]2)(H){1|C<4>,1|N<2>,3|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	122.0960	0.000	1	122.2302	0.217	11	122.0370	0.659	23	121.9236	0.683	32	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:3:1:	3:3:4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:N[6,6]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(N[6,6]C[6]2)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(N[6,6]C[6]2)(H){1|C<4>,4|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	122.2780	0.423	6	122.2302	0.217	11	122.0370	0.659	23	121.9236	0.683	32	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:3:1:	3:3:4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:N[6,6]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(N[6,6]C[6]2)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,6|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(N[6,6]C[6]2)(H){1|C<4>,4|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	121.8500	0.000	1	122.2302	0.217	11	122.0370	0.659	23	121.9236	0.683	32	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:3:1:	3:3:4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:N[6,6]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(N[6,6]C[6]2)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,6|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(N[6,6]C[6]2)(H){1|N<2>,2|C<4>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	121.7330	0.000	1	122.2302	0.217	11	122.0370	0.659	23	121.9236	0.683	32	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:3:1:	3:3:4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:N[6,6]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(N[6,6]C[6]2)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,5|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(N[6,6]C[6]2)(H){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	120.8320	0.000	1	120.8320	0.000	1	122.0370	0.659	23	121.9236	0.683	32	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:3:1:	3:4:3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]S)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]CH)(C[6a]C[6a]O)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,1|S<4>,2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]S)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]CH)(C[6a]C[6a]O){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	119.8170	0.000	1	119.8170	0.000	1	119.6210	0.606	5	120.8170	1.526	14	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:3:1:	3:4:3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]S)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]O)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,1|S<4>,2|C<3>,5|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]S)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]O){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	119.2090	0.630	3	119.2090	0.397	3	119.6210	0.606	5	120.8170	1.526	14	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:3:1:	3:4:3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]N[6,6]CH)(C[6a]C[6a]H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,3|C<3>,6|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6]H)(H){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]N[6,6]CH)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	120.6610	0.000	1	120.6610	0.000	1	119.6210	0.606	5	120.8170	1.526	14	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:3:1:	3:4:3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:N[6,6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6]C[6,6]N[6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6]H)(N[6,6]C[6,6]C)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6,6a](C[6,6]C[6,6]N[6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|C<3>,1|N<3>,1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6]H)(N[6,6]C[6,6]C)(H){1|O<2>,1|S<2>,2|H<1>,3|C<3>,3|C<4>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<2>,2|H<1>,3|C<4>}	119.5580	0.000	1	119.5580	0.000	1	119.5580	0.000	1	120.8170	1.526	14	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:3:1:	3:4:3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:N[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6]C[6,6]N[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6a]H)(N[6]C[6,6a]S)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]C[6a]H)(C[6a]C[6a]H)	C[6,6a](C[6,6]C[6,6]N[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,1|S<4>,3|H<1>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6a]H)(N[6]C[6,6a]S)(H){1|C<4>,2|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]C[6a]H)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<2>,3|H<1>,4|C<3>}	121.9820	0.553	2	121.9820	0.306	2	121.9820	0.306	2	120.8170	1.526	14	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:3:1:	3:4:3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:N[6,6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(N[6,6]C[6]2)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6a]C[6]C)(C[6a]C[6a]H)	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){3|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(N[6,6]C[6]2)(H){1|N<4>,1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6a]C[6]C)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	120.6470	0.000	1	120.6470	0.000	1	121.5570	0.432	4	120.8170	1.526	14	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:3:1:	3:4:3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:N[6,6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6a]H)(N[6,6]C[6]2)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<4>,4|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6a]H)(N[6,6]C[6]2)(H){1|C<4>,4|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	122.2080	0.000	1	122.2080	0.000	1	121.5570	0.432	4	120.8170	1.526	14	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:3:1:	3:4:3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:N[6,6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(N[6,6]C[6,6]C)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(N[6,6]C[6,6]C)(H){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,3|H<1>}	121.6865	0.108	2	121.6865	0.012	2	121.5570	0.432	4	120.8170	1.526	14	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:3:1:	3:4:3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:P[6]-4:N[6,6]-3:H-1:	C[6,6a]-3:P[6]-4:C[6a]-3:	C[6,6a](C[6,6]N[6,6]P[6]H)(C[6,6a]C[6a]P[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(P[6]C[6,6a]C[6a]2)(N[6,6]C[6,6]C)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(P[6]C[6,6]C[6a]2)(C[6a]C[6a]H)	C[6,6a](C[6,6]N[6,6]P[6]H)(C[6,6a]C[6a]P[6])(C[6a]C[6a]H){2|C<4>,2|H<1>,6|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(P[6]C[6,6a]C[6a]2)(N[6,6]C[6,6]C)(H){1|P<4>,2|H<1>,8|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(P[6]C[6,6]C[6a]2)(C[6a]C[6a]H){1|N<3>,1|P<4>,4|H<1>,6|C<3>}	121.7915	0.515	2	121.7915	0.266	2	121.7915	0.266	2	120.8170	1.526	14	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:3:2:	3:3:2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-3:O-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6]C[6,6]C[6]O)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(C[6]C[6,6a]O)(OH)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6]C[6,6]C[6]O)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>,2|O<2>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(C[6]C[6,6a]O)(OH){1|O<2>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	119.5200	0.000	1	119.5200	0.000	1	119.5200	0.000	1	119.5200	0.000	1	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:3:2:	3:3:4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6]C[6,6]C[6]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]H)(OC)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6]C[6,6]C[6]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,6|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]H)(OC){1|C<4>,2|S<4>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,1|O<2>,2|C<3>,2|H<1>,2|S<4>}	122.0720	0.000	1	121.6213	0.171	3	121.4768	0.198	4	121.4768	0.198	4	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:3:2:	3:3:4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6]C[6,6]C[6]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]H)(OC)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6]C[6,6]C[6]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,6|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]H)(OC){1|C<4>,4|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	121.3960	0.195	2	121.6213	0.171	3	121.4768	0.198	4	121.4768	0.198	4	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:3:2:	3:3:4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6]C[6,6]C[6]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]O)(OH)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6]C[6,6]C[6]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]O)(OH){1|C<4>,1|O<2>,3|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	121.0430	0.000	1	121.0430	0.000	1	121.4768	0.198	4	121.4768	0.198	4	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:3:2:	3:4:3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-3:O[6]-2:	C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[6,6a](C[6,6]C[6,6]C[6]O[6])(C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O[6])(C[6]C[6]C)(O[6]Si[6])	C[6,6a](C[6,6a]C[6,6]C[6a])(C[5,6]C[6]O[5]2)(C[6a]C[6a]O)	C[6,6a](C[6,6]C[6,6]C[6]O[6])(C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H){1|Si<4>,1|H<1>,2|C<3>,3|C<4>,4|O<2>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O[6])(C[6]C[6]C)(O[6]Si[6]){2|C<3>,2|O<2>,5|C<4>,6|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[5,6]C[6]O[5]2)(C[6a]C[6a]O){2|C<3>,2|O<2>,3|C<4>,3|H<1>}	123.2690	0.000	1	123.2690	0.000	1	123.2690	0.000	1	123.2690	0.000	1	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:3:3:	3:4:2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-3:N-3:	C[6,6a]-3:C[6]-4:N[6a]-2:	C[6,6a](C[6,6]C[6,6]C[6]N)(C[6,6a]N[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CO)(C[6]C[6]H)(NCH)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(N[6a]C[6a])	C[6,6a](C[6,6]C[6,6]C[6]N)(C[6,6a]N[6a]C[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CO)(C[6]C[6]H)(NCH){1|C<3>,1|N<2>,2|H<1>,3|C<4>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(N[6a]C[6a]){1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	120.1710	0.178	2	120.1710	0.032	2	119.7313	0.596	3	119.7313	0.596	3	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:3:3:	3:4:2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-3:N-3:	C[6,6a]-3:C[6]-4:N[6a]-2:	C[6,6a](C[6,6]C[6,6]C[6]N)(C[6,6a]N[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HO)(C[6]C[6]H)(NCH)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(N[6a]C[6a])	C[6,6a](C[6,6]C[6,6]C[6]N)(C[6,6a]N[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HO)(C[6]C[6]H)(NCH){1|C<3>,1|N<2>,2|H<1>,3|C<4>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(N[6a]C[6a]){1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	118.8520	0.000	1	118.8520	0.000	1	119.7313	0.596	3	119.7313	0.596	3	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:3:4:	3:3:2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-3:C-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CH)(C[6]C[6,6a]O)(CCHH)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6])	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CH)(C[6]C[6,6a]O)(CCHH){1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6]){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	121.1910	0.419	2	121.1910	0.175	2	121.1737	0.089	3	121.1737	0.089	3	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:3:4:	3:3:2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-3:C-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CH)(C[6]C[6,6a]O)(CH3)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6])	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CH)(C[6]C[6,6a]O)(CH3){1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6]){2|C<4>,3|C<3>,3|H<1>}	121.1390	0.000	1	121.1390	0.000	1	121.1737	0.089	3	121.1737	0.089	3	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:3:4:	3:3:3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[3,6]-4:C[5a,6,6]-3:C-4:	C[5,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6]C[5a,6,6]C[3,6]C)(C[6,6a]C[5,6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]O[3]H)(C[5a,6,6]C[5a,6]2)(CH3)	C[6,6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6,6]C[6a])(C[6]C[5a,6]O)	C[6,6a](C[6,6]C[5a,6,6]C[3,6]C)(C[6,6a]C[5,6a]C[6])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]O[3]H)(C[5a,6,6]C[5a,6]2)(CH3){1|O<2>,2|H<1>,5|C<3>}	C[6,6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6,6]C[6a])(C[6]C[5a,6]O){1|O<2>,3|C<3>,3|C<4>,3|H<1>}	120.1480	0.000	1	120.1480	0.000	1	120.1480	0.000	1	120.1480	0.000	1	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:3:4:	3:3:4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-3:C-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]N[6]H)(C[6]C[6]H)(CCHH)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5,6a]H)(C[6]N[6]HH)	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,5|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]N[6]H)(C[6]C[6]H)(CCHH){1|P<4>,2|C<3>,2|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5,6a]H)(C[6]N[6]HH){1|H<1>,1|O<2>,1|P<4>,2|C<3>,2|C<4>}	119.7360	0.000	1	119.7360	0.000	1	121.4770	6.062	2	121.4770	6.062	2	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:3:4:	3:3:4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-3:C-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]H)(CH3)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]C)(C[6]C[6]HH)	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,3|C<4>,5|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]H)(CH3){3|C<3>,3|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]C)(C[6]C[6]HH){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	123.2180	0.000	1	123.2180	0.000	1	121.4770	6.062	2	121.4770	6.062	2	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:3:4:	3:4:3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6]C[6,6]C[6a]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CH)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6,6a](C[6,6]C[6,6]C[6a]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<2>,3|C<3>,3|C<4>,6|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CH)(C[6a]C[6a]2)(C[6]C[6]HH){1|C<4>,1|N<3>,4|C<3>,6|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	121.0060	0.000	1	121.0060	0.000	1	121.0060	0.000	1	121.0060	0.000	1	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:4:1:	3:3:2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[3x6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6]C[3x6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[3x6]C[6]H)(C[6]C[6]HP)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[3x6])	C[6,6a](C[6,6]C[3x6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|P<4>,2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[3x6]C[6]H)(C[6]C[6]HP)(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[3x6]){1|C<3>,1|N<3>,3|C<4>,3|H<1>}	120.5170	0.000	1	120.5170	0.000	1	119.9890	0.215	3	119.6051	1.340	41	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:4:1:	3:3:2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[3x6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6]C[3x6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]O)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[3x6]C[6]O)(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[3x6])	C[6,6a](C[6,6]C[3x6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]O){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[3x6]C[6]O)(C[6]C[6]HH)(H){1|C<4>,2|H<1>,3|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[3x6]){1|C<3>,2|H<1>,2|O<2>,3|C<4>}	119.7250	0.106	2	119.7250	0.011	2	119.9890	0.215	3	119.6051	1.340	41	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:4:1:	3:3:2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6,6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]CH)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6,6a]H)(O[6]C[6,6])	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6,6a]H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]CH)(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6,6a]H)(O[6]C[6,6]){1|C<3>,2|H<1>,5|C<4>}	119.1230	0.000	1	119.1230	0.000	1	119.5630	1.537	35	119.6051	1.340	41	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:4:1:	3:3:2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]C)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]CH)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6])	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]C){1|C<3>,3|C<4>,5|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]CH)(H){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<3>,1|H<1>,1|O<2>,5|C<4>}	118.3240	0.000	1	118.3240	0.000	1	119.5630	1.537	35	119.6051	1.340	41	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:4:1:	3:3:2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]C)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HO)(C[6]C[6]CH)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6])	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]C){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HO)(C[6]C[6]CH)(H){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<3>,1|H<1>,1|O<2>,5|C<4>}	117.6390	0.478	2	117.6390	0.228	2	119.5630	1.537	35	119.6051	1.340	41	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:4:1:	3:3:2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]CH)(C[6]C[6]CH)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[3x6])	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|Br<1>,2|C<4>,3|C<3>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]CH)(C[6]C[6]CH)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[3x6]){2|C<3>,3|C<4>,3|H<1>}	121.4980	0.000	1	121.4980	0.000	1	119.5630	1.537	35	119.6051	1.340	41	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:4:1:	3:3:2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<3>,3|C<4>,5|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,2|O<2>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){2|C<3>,2|C<4>,4|H<1>}	121.0580	0.000	1	121.0580	0.000	1	119.5630	1.537	35	119.6051	1.340	41	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:4:1:	3:3:2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CH)(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6])	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|Br<1>,1|C<4>,3|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CH)(C[6]C[6]HH)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,1|S<1>,2|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<3>,1|N<3>,3|C<4>,3|H<1>}	120.9285	0.107	2	120.9285	0.011	2	119.5630	1.537	35	119.6051	1.340	41	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:4:1:	3:3:2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]CH)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6])	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]CH)(H){1|O<2>,2|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6]){2|C<3>,2|C<4>,4|H<1>}	119.9760	0.000	1	119.9760	0.000	1	119.5630	1.537	35	119.6051	1.340	41	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:4:1:	3:3:2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6,6]CH)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6])	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|Br<1>,1|C<4>,3|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6,6]CH)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6]){2|C<3>,2|C<4>,4|H<1>}	120.3885	0.756	2	120.3885	0.571	2	119.5630	1.537	35	119.6051	1.340	41	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:4:1:	3:3:2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6,6a]CH)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6])	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|Br<1>,1|C<4>,3|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6,6a]CH)(H){1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6]){2|C<3>,2|C<4>,4|H<1>}	121.4190	0.000	1	120.9010	0.537	2	119.5630	1.537	35	119.6051	1.340	41	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:4:1:	3:3:2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6,6a]CH)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6])	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,5|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6,6a]CH)(H){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6]){2|C<3>,3|C<4>,3|H<1>}	120.3830	0.000	1	120.9010	0.537	2	119.5630	1.537	35	119.6051	1.340	41	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:4:1:	3:3:2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]CH)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6])	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<3>,3|C<4>,5|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]CH)(H){2|O<2>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6]){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	118.9280	0.000	1	118.9280	0.000	1	119.5630	1.537	35	119.6051	1.340	41	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:4:1:	3:3:2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6])	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,2|C<3>,6|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]HH)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<3>,1|N<3>,3|C<4>,3|H<1>}	120.0320	0.000	1	120.0320	0.000	1	119.5630	1.537	35	119.6051	1.340	41	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:4:1:	3:3:2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]HO)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6])	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]HO)(H){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	119.1280	0.000	1	119.1280	0.000	1	119.5630	1.537	35	119.6051	1.340	41	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:4:1:	3:3:2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]HS)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6])	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,1|S<4>,2|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]HS)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<3>,1|N<3>,3|C<4>,3|H<1>}	118.6930	0.000	1	118.6930	0.000	1	119.5630	1.537	35	119.6051	1.340	41	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:4:1:	3:3:2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]H)(C[6]C[6a]O[6]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]H)(C[6]C[6a]O[6]H)(H){1|O<2>,2|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){2|C<3>,2|C<4>,4|H<1>}	119.4060	0.479	2	119.4060	0.230	2	119.5630	1.537	35	119.6051	1.340	41	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:4:1:	3:3:2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<3>,3|C<4>,5|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<4>,2|O<2>,4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){2|C<3>,2|C<4>,4|H<1>}	119.6895	0.090	2	119.0463	0.733	4	119.5630	1.537	35	119.6051	1.340	41	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:4:1:	3:3:2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	118.9200	0.000	1	119.0463	0.733	4	119.5630	1.537	35	119.6051	1.340	41	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:4:1:	3:3:2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	117.8860	0.000	1	119.0463	0.733	4	119.5630	1.537	35	119.6051	1.340	41	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:4:1:	3:3:2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HN)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|Br<1>,1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HN)(H){1|O<1>,2|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	117.9990	0.000	1	118.3708	0.317	6	119.5630	1.537	35	119.6051	1.340	41	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:4:1:	3:3:2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HN)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|Cl<1>,1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HN)(H){1|O<1>,2|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	118.5390	0.000	1	118.3708	0.317	6	119.5630	1.537	35	119.6051	1.340	41	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:4:1:	3:3:2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HN)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HN)(H){1|C<4>,1|O<1>,2|C<3>,2|O<2>,4|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	118.5100	0.000	1	118.3708	0.317	6	119.5630	1.537	35	119.6051	1.340	41	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:4:1:	3:3:2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HN)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HN)(H){1|O<1>,2|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	118.9070	0.000	1	118.3708	0.317	6	119.5630	1.537	35	119.6051	1.340	41	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:4:1:	3:3:2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HN)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HN)(H){1|O<2>,2|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,3|H<1>,4|C<4>}	118.8430	0.000	1	118.3708	0.317	6	119.5630	1.537	35	119.6051	1.340	41	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:4:1:	3:3:2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HN)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HN)(H){1|O<2>,4|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){2|C<3>,2|C<4>,4|H<1>}	117.4270	0.000	1	118.3708	0.317	6	119.5630	1.537	35	119.6051	1.340	41	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:4:1:	3:3:2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2N)(C[6]C[6]CH)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2N)(C[6]C[6]CH)(H){1|O<2>,4|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,2|C<4>,5|H<1>}	120.0680	0.000	1	120.0680	0.000	1	119.5630	1.537	35	119.6051	1.340	41	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:4:1:	3:3:2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2N)(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|Br<1>,1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2N)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,2|C<4>,5|H<1>}	122.2930	0.000	1	122.2930	0.000	1	119.5630	1.537	35	119.6051	1.340	41	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:4:1:	3:3:2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]O)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]CH)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6])	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]O){1|C<3>,3|C<4>,5|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]CH)(H){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<3>,1|H<1>,1|O<2>,5|C<4>}	119.1540	0.000	1	119.1540	0.000	1	119.5630	1.537	35	119.6051	1.340	41	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:4:1:	3:3:2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]O)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6])	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]O){1|C<3>,2|C<4>,6|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,2|H<1>,3|O<2>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<3>,1|H<1>,3|C<4>,3|O<2>}	120.0505	0.086	2	120.0505	0.007	2	119.5630	1.537	35	119.6051	1.340	41	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:4:1:	3:3:2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]O)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]O){1|C<3>,3|C<4>,5|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(H){2|O<2>,3|C<3>,3|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|H<1>,1|O<2>,2|C<3>,4|C<4>}	121.3940	0.000	1	121.3940	0.000	1	119.5630	1.537	35	119.6051	1.340	41	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:4:1:	3:3:2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6a]-3:N[6a]-3:O[6]-2:	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]N[6a]O[6])(C[6a]C[6a,6a]O)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]ClH)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(N[6a]C[6a,6a]C)(O[6]C[6])	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]N[6a]O[6])(C[6a]C[6a,6a]O){1|Cl<1>,2|C<3>,2|H<1>,4|C<4>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]ClH)(H){1|C<3>,1|N<3>,1|O<1>,2|H<1>,2|O<2>,4|C<4>}	C[6,6a](C[6,6a]C[6,6]C[6a])(N[6a]C[6a,6a]C)(O[6]C[6]){1|H<1>,1|O<1>,2|C<3>,4|C<4>}	119.8895	0.450	2	119.8895	0.203	2	119.8895	0.203	2	119.6051	1.340	41	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:4:1:	3:3:2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:N[6]-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6]C[6,6]N[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6a]H)(N[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6])	C[6,6a](C[6,6]C[6,6]N[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6a]H)(N[6]C[6]HH)(H){1|C<4>,1|N<2>,1|O<2>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<3>,1|N<2>,1|N<4>,2|C<4>,3|H<1>}	119.3580	0.000	1	119.3580	0.000	1	119.3580	0.000	1	119.6051	1.340	41	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:4:1:	3:3:3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[5,6]H)(C[6a]C[6a]H)	C[6,6a](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|F<1>,2|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(H){1|N<3>,2|C<4>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[5,6]H)(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	119.5470	0.725	2	119.6365	0.187	4	119.6365	0.187	4	118.8308	5.406	27	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:4:1:	3:3:3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[5,6]H)(C[6a]C[6a]H)	C[6,6a](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,6|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(H){1|N<3>,2|C<4>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[5,6]H)(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	119.7630	0.000	1	119.6365	0.187	4	119.6365	0.187	4	118.8308	5.406	27	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:4:1:	3:3:3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[5,6]H)(C[6a]C[6a]H)	C[6,6a](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,6|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(H){1|N<3>,2|C<4>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[5,6]H)(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	119.6890	0.000	1	119.6365	0.187	4	119.6365	0.187	4	118.8308	5.406	27	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:4:1:	3:3:3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[5,6]H)	C[6,6a](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<3>,3|C<4>,6|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,2|O<2>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[5,6]H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	116.2130	0.000	1	116.2130	0.000	1	116.2130	0.000	1	118.8308	5.406	27	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:4:1:	3:3:3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[6,6]-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6]C[5,6]C[6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5]H)(C[6,6]C[6]O[6]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5,6a]H)(C[6]O[6]O)	C[6,6a](C[6,6]C[5,6]C[6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|O<2>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5]H)(C[6,6]C[6]O[6]H)(H){1|O<2>,3|C<3>,3|H<1>,4|C<4>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5,6a]H)(C[6]O[6]O){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	118.0610	0.000	1	118.3445	0.161	2	117.7137	1.274	3	118.8308	5.406	27	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:4:1:	3:3:3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[6,6]-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6]C[5,6]C[6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5]H)(C[6,6]C[6]O[6]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5,6a]H)(C[6]O[6]O)	C[6,6a](C[6,6]C[5,6]C[6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H){1|C<3>,1|N<4>,1|O<1>,2|C<4>,2|O<2>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5]H)(C[6,6]C[6]O[6]H)(H){1|O<2>,3|C<3>,4|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5,6a]H)(C[6]O[6]O){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	118.6280	0.000	1	118.3445	0.161	2	117.7137	1.274	3	118.8308	5.406	27	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:4:1:	3:3:3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[6,6]-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6]C[5,6]C[6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5]H)(C[6,6]C[6]O[6]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]O)	C[6,6a](C[6,6]C[5,6]C[6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<4>,1|O<1>,2|C<3>,2|O<2>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5]H)(C[6,6]C[6]O[6]H)(H){1|C<2>,3|C<3>,3|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]O){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	116.4520	0.000	1	116.4520	0.000	1	117.7137	1.274	3	118.8308	5.406	27	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:4:1:	3:3:3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]N[6]H)(C[6]C[6]HO)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5,6a]H)(C[6]N[6]O)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|O<2>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]N[6]H)(C[6]C[6]HO)(H){1|C<4>,2|O<2>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5,6a]H)(C[6]N[6]O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	119.3600	0.000	1	119.3600	0.000	1	118.9215	1.422	8	118.8308	5.406	27	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:4:1:	3:3:3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5,6a]O)(C[6]N[6]O)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|O<2>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(H){1|C<4>,2|O<2>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5,6a]O)(C[6]N[6]O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	117.6560	0.000	1	117.6560	0.000	1	118.9215	1.422	8	118.8308	5.406	27	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:4:1:	3:3:3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]N[6]H)(C[6]C[6]HO)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5,6a]H)(C[6]N[6]O)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|O<2>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]N[6]H)(C[6]C[6]HO)(H){1|C<4>,2|O<2>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5,6a]H)(C[6]N[6]O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	118.8220	0.000	1	118.8220	0.000	1	118.9215	1.422	8	118.8308	5.406	27	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:4:1:	3:3:3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,6|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,2|C<4>,4|H<1>}	117.3770	0.000	1	117.3770	0.000	1	118.9215	1.422	8	118.8308	5.406	27	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:4:1:	3:3:3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,5|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)(C[6]C[6]HH)(H){4|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,2|C<4>,4|H<1>}	119.2735	0.418	2	119.2735	0.175	2	118.9215	1.422	8	118.8308	5.406	27	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:4:1:	3:3:3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]N[6]O)(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|O<1>,3|C<3>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]N[6]O)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	121.1800	0.000	1	121.1800	0.000	1	118.9215	1.422	8	118.8308	5.406	27	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:4:1:	3:3:3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]O)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,5|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(C[6]C[6]HH)(H){1|C<4>,3|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]O){1|C<3>,2|H<1>,3|C<4>}	118.4300	0.000	1	118.4300	0.000	1	118.9215	1.422	8	118.8308	5.406	27	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:4:1:	3:3:3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[5,6]HH)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<3>,1|S<4>,3|C<4>,5|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[5,6]HH)(H){1|C<4>,1|N<3>,2|O<2>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S){1|C<3>,2|C<4>,5|H<1>}	116.7210	0.000	1	116.7210	0.000	1	119.0145	11.385	11	118.8308	5.406	27	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:4:1:	3:3:3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6a]H)(C[6]C[6,6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6,6]S)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,1|S<4>,4|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6a]H)(C[6]C[6,6a]C[6a]H)(H){1|N<3>,2|H<1>,8|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6,6]S){2|C<3>,2|C<4>,4|H<1>}	123.0545	0.428	2	123.0545	0.183	2	119.0145	11.385	11	118.8308	5.406	27	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:4:1:	3:3:3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]H)(C[6]C[6a]N[6]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]H)(C[6]C[6a]N[6]H)(H){1|N<3>,2|H<1>,8|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C){2|C<3>,2|C<4>,4|H<1>}	115.8457	1.145	3	115.8457	1.311	3	119.0145	11.385	11	118.8308	5.406	27	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:4:1:	3:3:3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]H)(C[6]C[6a]N[6]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|S<4>,3|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]H)(C[6]C[6a]N[6]H)(H){1|N<3>,1|S<4>,2|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S){2|C<3>,2|C<4>,4|H<1>}	116.7250	0.000	1	116.7250	0.000	1	119.0145	11.385	11	118.8308	5.406	27	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:4:1:	3:3:3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<3>,1|S<4>,3|C<4>,5|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|N<3>,1|O<2>,3|C<3>,6|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S){1|C<3>,2|C<4>,5|H<1>}	122.9450	1.001	2	122.9450	1.003	2	119.0145	11.385	11	118.8308	5.406	27	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:4:1:	3:3:3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HN)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|Cl<1>,1|N<3>,2|C<4>,3|C<3>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HN)(H){1|N<3>,4|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C){2|C<3>,2|C<4>,4|H<1>}	116.6460	0.000	1	116.6460	0.000	1	119.0145	11.385	11	118.8308	5.406	27	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:4:1:	3:3:3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2N)(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2N)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){2|C<3>,2|C<4>,4|H<1>}	119.5310	0.000	1	119.5310	0.000	1	119.0145	11.385	11	118.8308	5.406	27	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:4:1:	3:3:4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:N[6,6]-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6]C[5,6]N[6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(N[6,6]C[6]2H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6]C[5,6]N[6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,4|C<4>,6|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(N[6,6]C[6]2H)(H){2|C<3>,3|C<4>,9|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<4>,1|O<2>,4|H<1>}	121.1340	0.000	1	121.1340	0.000	1	121.1340	0.000	1	120.9790	0.648	161	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:4:1:	3:3:4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[5a,6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5a,6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[5a,6a]H){2|C<3>,3|C<4>,6|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,6|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5a,6a]H)(C[6]C[6]HH){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	120.6150	0.000	1	120.6150	0.000	1	120.9399	0.606	156	120.9790	0.648	161	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:4:1:	3:3:4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,6|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	120.7290	0.406	2	120.9479	0.450	132	120.9399	0.606	156	120.9790	0.648	161	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:4:1:	3:3:4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,3|C<4>,7|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,3|C<4>,5|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	121.3680	0.021	3	120.9479	0.450	132	120.9399	0.606	156	120.9790	0.648	161	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:4:1:	3:3:4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,3|C<4>,7|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,3|C<4>,5|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	120.8033	0.099	3	120.9479	0.450	132	120.9399	0.606	156	120.9790	0.648	161	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:4:1:	3:3:4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,3|C<4>,7|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,6|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|I<1>,2|C<4>,4|H<1>}	121.5450	0.000	1	120.9479	0.450	132	120.9399	0.606	156	120.9790	0.648	161	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:4:1:	3:3:4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,3|C<4>,7|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,6|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	121.7380	0.000	1	120.9479	0.450	132	120.9399	0.606	156	120.9790	0.648	161	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:4:1:	3:3:4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,3|C<4>,7|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,6|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	120.9876	0.535	114	120.9479	0.450	132	120.9399	0.606	156	120.9790	0.648	161	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:4:1:	3:3:4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,3|C<4>,7|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,6|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,3|C<4>,4|H<1>}	120.7040	0.370	4	120.9479	0.450	132	120.9399	0.606	156	120.9790	0.648	161	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:4:1:	3:3:4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,3|C<4>,7|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){2|C<3>,4|C<4>,5|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	116.0720	0.000	1	120.9479	0.450	132	120.9399	0.606	156	120.9790	0.648	161	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:4:1:	3:3:4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,4|C<4>,6|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,6|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,3|C<4>,4|H<1>}	120.6920	0.000	1	120.9479	0.450	132	120.9399	0.606	156	120.9790	0.648	161	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:4:1:	3:3:4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,7|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,5|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	120.8410	0.000	1	120.9479	0.450	132	120.9399	0.606	156	120.9790	0.648	161	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:4:1:	3:3:4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,3|C<4>,6|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,6|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	120.8610	0.000	1	120.9479	0.450	132	120.9399	0.606	156	120.9790	0.648	161	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:4:1:	3:3:4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]O)(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]O)(C[6]C[6]HH)(H){2|C<4>,3|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,2|C<4>,5|H<1>}	122.1650	0.000	1	122.1650	0.000	1	120.9399	0.606	156	120.9790	0.648	161	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:4:1:	3:3:4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,3|C<4>,7|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,6|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	120.2051	1.805	7	120.2051	3.260	7	120.9399	0.606	156	120.9790	0.648	161	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:4:1:	3:3:4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<4>,3|C<3>,6|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,2|C<4>,5|H<1>}	119.5380	0.000	1	119.5380	0.000	1	120.9399	0.606	156	120.9790	0.648	161	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:4:1:	3:3:4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]CH)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,2|C<4>,4|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]CH)(H){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CH){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	121.5200	0.000	1	121.5200	0.000	1	120.9399	0.606	156	120.9790	0.648	161	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:4:1:	3:3:4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,3|C<4>,7|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,3|C<3>,6|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,2|C<4>,5|H<1>}	120.9297	0.413	4	121.4266	0.309	11	120.9399	0.606	156	120.9790	0.648	161	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:4:1:	3:3:4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,3|C<4>,7|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<4>,1|S<2>,3|C<3>,6|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,2|C<4>,5|H<1>}	121.7960	0.000	1	121.4266	0.309	11	120.9399	0.606	156	120.9790	0.648	161	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:4:1:	3:3:4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,3|C<4>,7|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|N<3>,2|C<3>,2|C<4>,6|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,2|C<4>,5|H<1>}	121.8850	0.000	1	121.4266	0.309	11	120.9399	0.606	156	120.9790	0.648	161	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:4:1:	3:3:4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,3|C<4>,7|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,6|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	121.6586	0.495	5	121.4266	0.309	11	120.9399	0.606	156	120.9790	0.648	161	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:4:1:	3:3:4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HN)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]N)(C[6]C[6]HH)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,3|N<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HN)(H){1|C<4>,4|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]N)(C[6]C[6]HH){1|Cl<1>,2|C<3>,2|C<4>,3|H<1>}	119.5110	0.000	1	119.5110	0.000	1	120.9399	0.606	156	120.9790	0.648	161	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:4:1:	3:3:4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(C[6]C[6]FeH)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]HH)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|Fe<7>,1|C<3>,2|C<4>,2|O<2>,5|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(C[6]C[6]FeH)(H){2|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]HH){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	121.0260	0.000	1	121.0260	0.000	1	120.9399	0.606	156	120.9790	0.648	161	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:4:1:	3:3:4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:N[6,6]-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(N[6,6]C[6]2H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5,6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(N[6,6]C[6]2H)(H){1|C<4>,4|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5,6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<4>,1|O<2>,4|H<1>}	122.1470	0.508	2	122.1470	0.258	2	122.4633	0.220	4	120.9790	0.648	161	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:4:1:	3:3:4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:N[6,6]-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(N[6,6]C[6]2H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(N[6,6]C[6]2H)(H){1|C<4>,4|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<4>,1|O<2>,4|H<1>}	122.7795	0.050	2	122.7795	0.003	2	122.4633	0.220	4	120.9790	0.648	161	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:4:1:	3:4:2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:N[6a]-2:	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6,6a]BrH)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]BrH)(N[6a]C[6a,6a])	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]H){2|Br<1>,1|C<4>,3|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6,6a]BrH)(H){1|C<4>,2|C<3>,2|H<1>,2|N<2>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]BrH)(N[6a]C[6a,6a]){2|C<4>,3|C<3>,3|H<1>}	122.5505	0.293	2	122.5505	0.086	2	121.9413	1.156	3	121.9413	1.156	3	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:4:1:	3:4:2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:N[6a]-2:	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]N[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6]HH)(N[6a]C[6a])	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]N[6a]C[6])(C[6a]C[6a]H){1|C<3>,4|C<4>,5|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,1|N<2>,3|C<4>,6|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6]HH)(N[6a]C[6a]){1|C<3>,2|C<4>,5|H<1>}	120.7230	0.000	1	120.7230	0.000	1	121.9413	1.156	3	121.9413	1.156	3	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:4:1:	3:4:3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[5,6]C[6a]H)(C[6a]C[6a]H)	C[6,6a](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|Cl<1>,2|C<3>,3|C<4>,5|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(H){1|N<3>,2|C<4>,3|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[5,6]C[6a]H)(C[6a]C[6a]H){2|C<4>,4|C<3>,4|H<1>}	124.5710	0.000	1	123.5200	0.865	3	123.2968	0.776	4	122.0389	3.909	8	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:4:1:	3:4:3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[5,6]C[6a]H)(C[6a]C[6a]H)	C[6,6a](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,3|C<4>,6|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(H){1|N<3>,2|C<4>,3|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[5,6]C[6a]H)(C[6a]C[6a]H){1|Cl<1>,2|C<4>,3|H<1>,4|C<3>}	123.1860	0.000	1	123.5200	0.865	3	123.2968	0.776	4	122.0389	3.909	8	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:4:1:	3:4:3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[5,6]C[6a]H)(C[6a]C[6a]H)	C[6,6a](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){3|C<3>,3|C<4>,5|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(H){1|N<3>,2|C<4>,3|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[5,6]C[6a]H)(C[6a]C[6a]H){2|C<4>,4|C<3>,4|H<1>}	122.8030	0.000	1	123.5200	0.865	3	123.2968	0.776	4	122.0389	3.909	8	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:4:1:	3:4:3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H)	C[6,6a](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|Cl<1>,1|C<3>,3|C<4>,6|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(H){1|N<3>,2|C<4>,3|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	122.6270	0.000	1	122.6270	0.000	1	123.2968	0.776	4	122.0389	3.909	8	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:4:1:	3:4:3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6,6a]HN)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HN)(C[6a]C[6a]H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|N<3>,6|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6,6a]HN)(H){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HN)(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	119.1060	1.038	2	119.1060	1.078	2	120.7810	4.126	4	122.0389	3.909	8	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:4:1:	3:4:3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]CH)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]CH)(C[6a]C[6a]H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,4|C<4>,5|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]CH)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]CH)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	122.2590	0.000	1	122.2590	0.000	1	120.7810	4.126	4	122.0389	3.909	8	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:4:1:	3:4:3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CH)(C[6]O[6]CH)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CH)(C[6]O[6]CH)(H){1|C<4>,1|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|H<1>,2|C<4>,2|O<2>,3|C<3>}	122.6530	0.000	1	122.6530	0.000	1	120.7810	4.126	4	122.0389	3.909	8	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:4:2:	3:3:2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:O-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6]C[6,6]C[6]O)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]CH)(OH)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6])	C[6,6a](C[6,6]C[6,6]C[6]O)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]CH)(OH){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6]){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	120.1000	0.000	1	120.1000	0.000	1	120.1000	0.000	1	120.1000	0.000	1	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:4:2:	3:3:3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[6,6]-4:O-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6]C[5,6]C[6,6]O)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5]H)(C[6,6]C[6]O[6]H)(OH)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5,6a]H)(C[6]O[6]O)	C[6,6a](C[6,6]C[5,6]C[6,6]O)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|O<2>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5]H)(C[6,6]C[6]O[6]H)(OH){1|O<2>,2|H<1>,3|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5,6a]H)(C[6]O[6]O){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	117.9880	0.303	2	117.9880	0.092	2	117.9880	0.092	2	119.1984	2.750	8	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:4:2:	3:3:3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:O-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6]C[6,6]C[6]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O)(C[6]C[6]HH)(OH)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]O)	C[6,6a](C[6,6]C[6,6]C[6]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|C<3>,1|O<1>,2|O<2>,3|C<4>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O)(C[6]C[6]HH)(OH){1|C<4>,1|O<2>,3|C<3>,6|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]O){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	121.5200	0.000	1	121.7270	0.086	2	121.7270	0.086	2	119.1984	2.750	8	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:4:2:	3:3:3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:O-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6]C[6,6]C[6]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O)(C[6]C[6]HH)(OH)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]O)	C[6,6a](C[6,6]C[6,6]C[6]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|C<3>,1|O<1>,2|O<2>,3|C<4>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O)(C[6]C[6]HH)(OH){1|C<4>,2|O<2>,3|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]O){1|C<3>,2|C<4>,2|H<1>,3|O<2>}	121.9340	0.000	1	121.7270	0.086	2	121.7270	0.086	2	119.1984	2.750	8	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:4:2:	3:3:3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:O-2:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6]C[6,6]C[6]O)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2C)(C[6]C[6]HH)(OH)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6]C[6,6]C[6]O)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){2|C<3>,3|C<4>,5|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2C)(C[6]C[6]HH)(OH){1|O<1>,2|C<3>,2|N<3>,5|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	118.3020	0.685	3	118.3020	0.469	3	118.3020	0.469	3	119.1984	2.750	8	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:4:2:	3:3:3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6,6]-4:O-2:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6]C[6,6]C[6]O)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[3x6]C[6a]H)(C[6,6]C[6]2C)(OH)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S)	C[6,6a](C[6,6]C[6,6]C[6]O)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|S<4>,3|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[3x6]C[6a]H)(C[6,6]C[6]2C)(OH){1|N<3>,2|C<4>,4|C<3>,6|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]S){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	119.2510	0.000	1	119.2510	0.000	1	119.2510	0.000	1	119.1984	2.750	8	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:4:2:	3:3:4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:O-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6]C[6,6]C[6]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]O)(C[6]C[6]HH)(OH)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6]C[6,6]C[6]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]O)(C[6]C[6]HH)(OH){2|C<3>,3|C<4>,6|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	121.9570	0.000	1	121.9570	0.000	1	121.7700	0.070	2	122.0367	0.248	3	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:4:2:	3:3:4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:O-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6]C[6,6]C[6]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O)(C[6]C[6]HH)(OH)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]HO)	C[6,6a](C[6,6]C[6,6]C[6]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|C<3>,3|C<4>,3|O<2>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O)(C[6]C[6]HH)(OH){2|C<3>,2|C<4>,2|O<2>,5|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]HO){1|C<3>,2|C<4>,2|H<1>,3|O<2>}	121.5830	0.000	1	121.5830	0.000	1	121.7700	0.070	2	122.0367	0.248	3	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:4:2:	3:3:4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:N[6,6]-4:O-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6]N[6,6]C[6]O)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(N[6,6]C[6]2C)(OH)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5,6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6]N[6,6]C[6]O)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H){1|O<2>,2|C<3>,3|C<4>,5|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(N[6,6]C[6]2C)(OH){1|C<4>,4|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5,6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<4>,2|O<2>,3|H<1>}	122.5700	0.000	1	122.5700	0.000	1	122.5700	0.000	1	122.0367	0.248	3	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:4:3:	3:3:3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]N[6]H)(C[6]C[6]HH)(COO)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,5|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]N[6]H)(C[6]C[6]HH)(COO){2|C<4>,2|O<2>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]O){2|C<3>,2|H<1>,3|C<4>}	118.6500	0.000	1	118.6500	0.000	1	118.6500	0.000	1	118.6500	0.000	1	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:4:3:	3:4:2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:N-3:	C[6,6a]-3:C[6]-4:N[6a]-2:	C[6,6a](C[6,6]C[6,6]C[6]N)(C[6,6a]N[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CO)(C[6]C[6]HH)(NCH)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(N[6a]C[6a])	C[6,6a](C[6,6]C[6,6]C[6]N)(C[6,6a]N[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CO)(C[6]C[6]HH)(NCH){1|C<3>,1|N<2>,3|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(N[6a]C[6a]){1|C<3>,1|N<3>,1|O<2>,2|H<1>,3|C<4>}	120.8660	0.000	1	120.8660	0.000	1	120.8660	0.000	1	120.8660	0.000	1	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:4:4:	3:3:2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]O[6])(C[6a]C[6a]C)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)(O[6]C[6])	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]O[6])(C[6a]C[6a]C){1|C<3>,2|O<2>,3|C<4>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|O<2>,3|C<3>,3|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)(O[6]C[6]){1|H<1>,1|O<2>,2|C<3>,4|C<4>}	119.6920	0.402	2	119.6920	0.161	2	119.6920	0.161	2	119.9533	0.286	3	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:4:4:	3:3:2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]S[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CCCH)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(S[6]C[6])	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]S[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CCCH){1|S<2>,4|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(S[6]C[6]){1|C<3>,3|C<4>,4|H<1>}	120.4760	0.000	1	120.4760	0.000	1	120.4760	0.000	1	119.9533	0.286	3	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:4:4:	3:3:3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6,6]-4:C[6]-4:C-4:	C[5,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6]C[5,6,6]C[6]C)(C[6,6a]C[5,6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6,6]C[5,6]2H)(C[6]C[6]SiH)(CH3)	C[6,6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6,6]C[6a])(C[6]C[5,6]O)	C[6,6a](C[6,6]C[5,6,6]C[6]C)(C[6,6a]C[5,6a]C[6])(C[6a]C[6a]H){1|Si<4>,1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6,6]C[5,6]2H)(C[6]C[6]SiH)(CH3){1|C<4>,2|O<2>,3|H<1>,4|C<3>}	C[6,6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6,6]C[6a])(C[6]C[5,6]O){2|C<3>,2|O<2>,3|H<1>,4|C<4>}	120.9510	0.000	1	120.9510	0.000	1	120.9510	0.000	1	120.5549	1.656	22	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:4:4:	3:3:3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]O)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5,6a]O)(C[6]C[6]O)	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]O){1|C<3>,1|O<1>,2|O<2>,3|C<4>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<2>,3|C<3>,3|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5,6a]O)(C[6]C[6]O){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	121.0498	0.146	4	121.0498	0.021	4	120.7176	1.093	20	120.5549	1.656	22	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:4:4:	3:3:3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[5a,6a]O)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5a,6a]O)(C[6]C[6]O)	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[5a,6a]O){1|C<3>,1|O<1>,2|O<2>,3|C<4>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5a,6a]O)(C[6]C[6]O){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	121.3120	0.000	1	121.3120	0.000	1	120.7176	1.093	20	120.5549	1.656	22	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:4:4:	3:3:3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a,6a]H)(C[6]C[6]O)	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<4>,3|C<3>,6|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a,6a]H)(C[6]C[6]O){2|C<3>,3|C<4>,3|H<1>}	122.3640	0.000	1	122.3640	0.000	1	120.7176	1.093	20	120.5549	1.656	22	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:4:4:	3:3:3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,3|C<4>,6|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){3|C<3>,3|C<4>,5|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,3|H<1>,4|C<4>}	121.0330	0.000	1	120.1665	1.502	2	120.7176	1.093	20	120.5549	1.656	22	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:4:4:	3:3:3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){3|C<3>,3|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,2|H<1>,4|C<4>}	119.3000	0.000	1	120.1665	1.502	2	120.7176	1.093	20	120.5549	1.656	22	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:4:4:	3:3:3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,3|C<4>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<4>,4|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|N<3>,3|C<4>,3|H<1>}	119.8270	0.000	1	120.7987	1.044	6	120.7176	1.093	20	120.5549	1.656	22	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:4:4:	3:3:3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<4>,5|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,3|C<4>,4|H<1>}	119.5640	0.000	1	120.7987	1.044	6	120.7176	1.093	20	120.5549	1.656	22	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:4:4:	3:3:3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){3|C<3>,3|C<4>,5|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,3|H<1>,4|C<4>}	121.0100	0.000	1	120.7987	1.044	6	120.7176	1.093	20	120.5549	1.656	22	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:4:4:	3:3:3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|O<1>,4|C<4>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){3|C<3>,3|C<4>,5|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	121.9130	0.412	2	120.7987	1.044	6	120.7176	1.093	20	120.5549	1.656	22	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:4:4:	3:3:3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<1>,3|C<3>,3|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|H<1>,1|O<1>,1|O<2>,3|C<4>}	120.5650	0.000	1	120.7987	1.044	6	120.7176	1.093	20	120.5549	1.656	22	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:4:4:	3:3:3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	122.0440	0.000	1	122.0440	0.000	1	120.7176	1.093	20	120.5549	1.656	22	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:4:4:	3:3:3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]O)	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|O<1>,2|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]O){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	120.1490	0.958	4	120.1490	0.918	4	120.7176	1.093	20	120.5549	1.656	22	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:4:4:	3:3:3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HO)(CCHH)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){2|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HO)(CCHH){1|C<4>,3|C<3>,3|H<1>,3|O<2>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	118.7120	0.000	1	118.7120	0.000	1	120.7176	1.093	20	120.5549	1.656	22	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:4:4:	3:3:3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]N[6])(C[6a]C[6a]O)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]N[6])(C[6a]C[6a]O){2|C<3>,3|C<4>,5|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|N<3>,1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,2|H<1>,2|O<2>,3|C<4>}	116.9050	0.000	1	116.9050	0.000	1	116.9050	0.000	1	120.5549	1.656	22	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:4:4:	3:3:4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[5a,6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5a,6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[5a,6a]H){1|N<3>,2|C<3>,2|C<4>,6|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){2|C<4>,3|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5a,6a]H)(C[6]C[6]HH){2|C<3>,3|C<4>,3|H<1>}	121.9845	0.293	2	121.9845	0.086	2	122.0498	0.650	94	122.0498	0.650	94	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:4:4:	3:3:4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[4,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,7|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[4,6]C[6]H)(C[6]C[6]HH)(CH3){3|C<3>,3|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,3|C<4>,4|H<1>}	120.2160	0.000	1	120.2160	0.000	1	122.0498	0.650	94	122.0498	0.650	94	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:4:4:	3:3:4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(CH3){1|N<3>,2|C<3>,2|C<4>,6|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,3|C<4>,4|H<1>}	121.6330	0.000	1	121.9360	0.184	2	122.0498	0.650	94	122.0498	0.650	94	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:4:4:	3:3:4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,3|C<4>,7|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(CH3){2|C<3>,4|C<4>,5|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|Br<1>,1|C<3>,3|C<4>,3|H<1>}	122.2390	0.000	1	121.9360	0.184	2	122.0498	0.650	94	122.0498	0.650	94	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:4:4:	3:3:4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]HH)	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(CH3){1|C<4>,4|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]HH){1|C<3>,3|H<1>,4|C<4>}	121.1290	0.000	1	120.8300	0.067	3	122.0498	0.650	94	122.0498	0.650	94	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:4:4:	3:3:4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]HH)	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(CH3){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]HH){1|C<3>,3|C<4>,4|H<1>}	120.7010	0.000	1	120.8300	0.067	3	122.0498	0.650	94	122.0498	0.650	94	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:4:4:	3:3:4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]HH)	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(CH3){2|C<4>,3|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]HH){1|C<3>,3|C<4>,4|H<1>}	120.6600	0.000	1	120.8300	0.067	3	122.0498	0.650	94	122.0498	0.650	94	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:4:4:	3:3:4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]C)(C[6]C[6]HH)	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|O<2>,4|C<4>,5|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){2|C<3>,4|C<4>,5|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]C)(C[6]C[6]HH){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	122.1205	0.114	2	122.1205	0.013	2	122.0498	0.650	94	122.0498	0.650	94	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:4:4:	3:3:4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,3|C<4>,7|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){2|C<3>,4|C<4>,5|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,3|C<4>,4|H<1>}	122.0003	0.530	3	122.1388	0.179	6	122.0498	0.650	94	122.0498	0.650	94	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:4:4:	3:3:4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,3|C<4>,7|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){2|C<3>,4|C<4>,5|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,3|H<1>,4|C<4>}	122.4335	0.272	2	122.1388	0.179	6	122.0498	0.650	94	122.0498	0.650	94	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:4:4:	3:3:4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,3|C<4>,7|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){3|C<3>,3|C<4>,5|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,3|C<4>,4|H<1>}	121.9650	0.000	1	122.1388	0.179	6	122.0498	0.650	94	122.0498	0.650	94	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:4:4:	3:3:4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]N)(C[6]C[6]CH)	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<2>,1|C<3>,1|N<3>,1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){2|C<3>,4|C<4>,5|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]N)(C[6]C[6]CH){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	122.2250	0.000	1	122.2250	0.000	1	122.0498	0.650	94	122.0498	0.650	94	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:4:4:	3:3:4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]N)(C[6]C[6]HO)	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|O<2>,3|C<4>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){2|C<3>,4|C<4>,5|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]N)(C[6]C[6]HO){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	121.2610	0.000	1	121.2610	0.000	1	122.0498	0.650	94	122.0498	0.650	94	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:4:4:	3:3:4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]C)(C[6]C[6]HH)	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|O<2>,4|C<4>,5|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,2|C<4>,7|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]C)(C[6]C[6]HH){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	122.3630	0.000	1	122.7900	0.267	6	122.0498	0.650	94	122.0498	0.650	94	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:4:4:	3:3:4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]C)(C[6]C[6]HH)	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,4|C<4>,6|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,4|C<4>,5|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]C)(C[6]C[6]HH){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	122.7205	0.461	4	122.7900	0.267	6	122.0498	0.650	94	122.0498	0.650	94	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:4:4:	3:3:4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]C)(C[6]C[6]HH)	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,4|C<4>,6|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){3|C<3>,3|C<4>,5|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]C)(C[6]C[6]HH){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	123.4950	0.000	1	122.7900	0.267	6	122.0498	0.650	94	122.0498	0.650	94	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:4:4:	3:3:4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|Br<1>,1|C<3>,3|C<4>,6|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){3|C<3>,3|C<4>,5|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,3|H<1>,4|C<4>}	122.4410	0.000	1	122.0915	0.697	63	122.0498	0.650	94	122.0498	0.650	94	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:4:4:	3:3:4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<2>,1|C<3>,3|C<4>,6|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,3|C<4>,6|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,3|C<4>,4|H<1>}	122.5760	0.655	2	122.0915	0.697	63	122.0498	0.650	94	122.0498	0.650	94	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:4:4:	3:3:4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<2>,1|C<3>,3|C<4>,6|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<4>,3|C<3>,6|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,3|C<4>,4|H<1>}	121.5675	1.028	4	122.0915	0.697	63	122.0498	0.650	94	122.0498	0.650	94	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:4:4:	3:3:4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|N<3>,3|C<4>,6|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){3|C<3>,3|C<4>,5|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,3|C<4>,4|H<1>}	123.4580	0.000	1	122.0915	0.697	63	122.0498	0.650	94	122.0498	0.650	94	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:4:4:	3:3:4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<4>,3|C<3>,6|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,3|C<4>,4|H<1>}	121.4630	0.000	1	122.0915	0.697	63	122.0498	0.650	94	122.0498	0.650	94	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:4:4:	3:3:4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){3|C<3>,3|C<4>,5|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,3|C<4>,4|H<1>}	122.5120	0.343	5	122.0915	0.697	63	122.0498	0.650	94	122.0498	0.650	94	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:4:4:	3:3:4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){3|C<3>,3|C<4>,5|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,3|H<1>,4|C<4>}	121.5630	1.400	2	122.0915	0.697	63	122.0498	0.650	94	122.0498	0.650	94	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:4:4:	3:3:4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,3|C<4>,7|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<2>,2|C<3>,3|C<4>,5|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,3|C<4>,4|H<1>}	120.3140	0.000	1	122.0915	0.697	63	122.0498	0.650	94	122.0498	0.650	94	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:4:4:	3:3:4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,3|C<4>,7|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|N<2>,2|C<3>,3|C<4>,5|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,3|H<1>,4|C<4>}	120.7930	0.000	1	122.0915	0.697	63	122.0498	0.650	94	122.0498	0.650	94	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:4:4:	3:3:4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,3|C<4>,7|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,4|C<4>,5|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|Br<1>,1|C<3>,3|C<4>,3|H<1>}	121.6923	0.637	3	122.0915	0.697	63	122.0498	0.650	94	122.0498	0.650	94	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:4:4:	3:3:4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,3|C<4>,7|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,4|C<4>,5|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,3|C<4>,4|H<1>}	122.3053	0.549	8	122.0915	0.697	63	122.0498	0.650	94	122.0498	0.650	94	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:4:4:	3:3:4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,3|C<4>,7|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){2|C<3>,4|C<4>,5|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,3|H<1>,4|C<4>}	122.1012	1.014	15	122.0915	0.697	63	122.0498	0.650	94	122.0498	0.650	94	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:4:4:	3:3:4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,3|C<4>,7|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){3|C<3>,3|C<4>,5|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,3|C<4>,4|H<1>}	123.1920	0.000	1	122.0915	0.697	63	122.0498	0.650	94	122.0498	0.650	94	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:4:4:	3:3:4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,3|C<4>,7|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){3|C<3>,3|C<4>,5|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,3|H<1>,4|C<4>}	122.0910	0.725	15	122.0915	0.697	63	122.0498	0.650	94	122.0498	0.650	94	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:4:4:	3:3:4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|Cl<1>,1|C<3>,3|C<4>,6|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,3|C<4>,5|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,3|C<4>,4|H<1>}	122.5030	0.000	1	122.0915	0.697	63	122.0498	0.650	94	122.0498	0.650	94	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:4:4:	3:3:4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|Cl<1>,1|C<3>,3|C<4>,6|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){3|C<3>,3|C<4>,5|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,3|H<1>,4|C<4>}	121.9840	0.000	1	122.0915	0.697	63	122.0498	0.650	94	122.0498	0.650	94	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:4:4:	3:3:4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,3|C<4>,6|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){3|C<3>,3|C<4>,5|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,3|H<1>,4|C<4>}	122.1050	0.000	1	122.0915	0.697	63	122.0498	0.650	94	122.0498	0.650	94	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:4:4:	3:3:4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]N)(C[6]C[6]HH)	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|N<3>,3|C<4>,5|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){3|C<3>,3|C<4>,5|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]N)(C[6]C[6]HH){1|C<3>,1|N<3>,3|C<4>,3|H<1>}	122.4270	0.000	1	122.4270	0.000	1	122.0498	0.650	94	122.0498	0.650	94	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:4:4:	3:3:4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]HH)	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|C<4>,4|C<3>,6|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]HH){1|C<3>,3|C<4>,4|H<1>}	121.0380	0.000	1	121.6180	0.394	4	122.0498	0.650	94	122.0498	0.650	94	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:4:4:	3:3:4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]HH)	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,3|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]HH){1|C<3>,3|C<4>,4|H<1>}	121.1120	0.000	1	121.6180	0.394	4	122.0498	0.650	94	122.0498	0.650	94	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:4:4:	3:3:4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]HH)	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(CH3){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]HH){1|C<3>,3|H<1>,4|C<4>}	122.1610	0.000	2	121.6180	0.394	4	122.0498	0.650	94	122.0498	0.650	94	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:4:4:	3:3:4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|C<3>,3|C<4>,7|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,4|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,2|H<1>,2|O<2>,3|C<4>}	122.0865	0.783	2	122.0865	0.613	2	122.0498	0.650	94	122.0498	0.650	94	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:4:4:	3:4:3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[3,6]-4:C[5,6,6]-4:C-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6]C[5,6,6]C[3,6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]O[3]H)(C[5,6,6]C[5,6]2H)(CH3)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[5,6]HH)(C[6a]O[6a]C)	C[6,6a](C[6,6]C[5,6,6]C[3,6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,2|O<2>,4|C<4>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]O[3]H)(C[5,6,6]C[5,6]2H)(CH3){1|O<2>,3|C<3>,3|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[5,6]HH)(C[6a]O[6a]C){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	115.2040	0.000	1	115.2040	0.000	1	115.2040	0.000	1	119.2027	8.711	4	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:4:4:	3:4:3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CH)(C[6]C[6]HH)(CH3)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CH)(C[6]C[6]HH)(CH3){1|C<4>,1|N<4>,2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<3>,1|N<4>,3|C<4>,3|H<1>}	120.0000	0.000	1	120.0000	0.000	1	120.5357	2.407	3	119.2027	8.711	4	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:4:4:	3:4:3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]HH)(CH3)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|C<3>,2|C<4>,8|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]HH)(CH3){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<3>,1|H<1>,2|O<2>,4|C<4>}	119.3230	0.000	1	120.8035	4.384	2	120.5357	2.407	3	119.2027	8.711	4	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:4:4:	3:4:3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]HH)(CH3)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|C<4>,2|C<3>,8|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]HH)(CH3){1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<3>,2|O<2>,3|C<4>}	122.2840	0.000	1	120.8035	4.384	2	120.5357	2.407	3	119.2027	8.711	4	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	4:3:3:1:	3:2:3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6,6]-4:C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:O[6]-2:C[6a]-3:	C[6,6a](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(O[6]C[5,6,6])(C[6a]C[6a]H)	C[6,6a](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	C[6,6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(O[6]C[5,6,6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	120.1667	0.166	8	120.1667	0.028	8	120.1667	0.028	8	120.1667	0.028	8	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	4:3:3:1:	3:3:2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:C[6,6a]-3:N[6,6]-3:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6]C[6,6]N[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6]C[6,6]N[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6,6](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(H){1|C<4>,1|O<1>,1|O<2>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	119.4875	0.185	2	119.4875	0.034	2	119.4875	0.034	2	119.4875	0.034	2	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	4:3:3:1:	3:3:4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6,6]-4:C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)	C[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5,6a]H)(C[6]N[5,6]HH)	C[6,6a](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,5|H<1>}	C[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|Br<1>,2|C<3>,2|H<1>,4|C<4>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5,6a]H)(C[6]N[5,6]HH){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	121.0890	0.000	1	121.0890	0.000	1	121.1150	0.001	2	120.2738	4.485	5	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	4:3:3:1:	3:3:4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6,6]-4:C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)	C[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5,6a]H)(C[6]N[5,6]HH)	C[6,6a](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H){1|O<2>,2|C<3>,3|H<1>,4|C<4>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5,6a]H)(C[6]N[5,6]HH){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	121.1410	0.000	1	121.1410	0.000	1	121.1150	0.001	2	120.2738	4.485	5	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	4:3:3:1:	3:3:4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[6,6a]-3:N[6,6]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6]C[5,6]N[6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[5,6]C[5,6]C[6a]C[5])(C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6]C[5,6]N[6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){3|C<3>,3|C<4>,4|H<1>}	C[6,6](C[5,6]C[5,6]C[6a]C[5])(C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(H){1|O<1>,3|C<4>,4|C<3>,7|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	118.1030	0.167	2	118.1030	0.028	2	119.7130	7.790	3	120.2738	4.485	5	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	4:3:3:1:	3:3:4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[6,6a]-3:N[6,6]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6]C[5,6]N[6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6]C[5,6]N[6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,2|C<4>,3|H<1>,4|C<3>}	C[6,6](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(H){1|C<4>,1|N<3>,1|O<1>,5|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	122.9330	0.000	1	122.9330	0.000	1	119.7130	7.790	3	120.2738	4.485	5	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	4:3:3:1:	3:4:3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6,6]-4:C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[5,6,6]C[6,6a]N[5,6]C[5])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]N[5,6]HH)(C[6a]C[6a]H)	C[6,6a](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,4|C<3>,5|H<1>}	C[6,6](C[5,6,6]C[6,6a]N[5,6]C[5])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,2|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]N[5,6]HH)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	122.0285	0.508	2	122.0285	0.258	2	122.5110	0.828	3	122.5110	0.828	3	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	4:3:3:1:	3:4:3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6,6]-4:C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	C[6,6](C[5,6,6]C[6,6a]C[5,6]N[5])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H)	C[6,6a](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|Br<1>,1|N<3>,4|C<3>,4|H<1>}	C[6,6](C[5,6,6]C[6,6a]C[5,6]N[5])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|O<2>,2|C<4>,6|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|C<4>,1|H<1>,2|O<2>,3|C<3>}	123.4760	0.000	1	123.4760	0.000	1	122.5110	0.828	3	122.5110	0.828	3	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	4:3:3:2:	3:3:4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[3x6]-4:C[6,6a]-3:C[6]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6]C[3x6]C[6]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[3x6]C[6,6a]O[6,6]C[6])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(OH)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6,6a](C[6,6]C[3x6]C[6]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[6,6](C[3x6]C[6,6a]O[6,6]C[6])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(OH){2|C<4>,4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	122.9460	0.000	1	122.9460	0.000	1	122.9460	0.000	1	122.9460	0.000	1	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	4:3:4:1:	3:2:3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6,6]-4:C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:O[6]-2:C[6a]-3:	C[6,6a](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HP)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(O[6]C[5,6,6])(C[6a]C[6a]H)	C[6,6a](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|P<4>,2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HP)(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(O[6]C[5,6,6])(C[6a]C[6a]H){1|C<3>,1|N<3>,3|C<4>,3|H<1>}	120.2580	0.000	1	120.2580	0.000	1	120.2580	0.000	1	120.2580	0.000	1	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	4:3:4:1:	3:3:2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[3x6]-4:C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6]C[3x6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[5,6a]H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5,6a]H)(O[6]C[5,6,6])	C[6,6a](C[6,6]C[3x6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[5,6a]H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H){1|C<4>,2|H<1>,2|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5,6a]H)(O[6]C[5,6,6]){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	121.3860	0.000	1	121.3860	0.000	1	121.3860	0.000	1	120.1400	1.751	4	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	4:3:4:1:	3:3:2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6,6]-4:C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6,6a]O)	C[6,6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6,6a]C)(O[6]C[5,6,6])	C[6,6a](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6,6a]O){1|H<1>,3|C<3>,5|C<4>}	C[6,6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>,3|O<2>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6,6a]C)(O[6]C[5,6,6]){1|C<3>,1|H<1>,3|C<4>,3|O<2>}	118.2690	0.000	1	118.2690	0.000	1	118.2690	0.000	1	120.1400	1.751	4	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	4:3:4:1:	3:3:2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6]C[5,6]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6,6](C[5,6]C[5,6a]C[5a,6]C[5])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6])	C[6,6a](C[6,6]C[5,6]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	C[6,6](C[5,6]C[5,6a]C[5a,6]C[5])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(H){1|H<1>,1|N<3>,1|O<1>,1|O<2>,7|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(O[6]C[6,6]){2|C<4>,3|C<3>,3|H<1>}	120.4525	0.076	2	120.4525	0.006	2	120.4525	0.006	2	120.1400	1.751	4	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	4:3:4:1:	3:3:3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6,6]-4:C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6,6](C[5,6,6]C[5,6a]C[5,6]C[6])(C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[5,6]H)	C[6,6a](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|N<3>,2|C<4>,3|C<3>,4|H<1>}	C[6,6](C[5,6,6]C[5,6a]C[5,6]C[6])(C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H){1|C<4>,2|N<3>,4|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[5,6]H){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	114.5620	0.970	2	114.5620	0.941	2	114.5620	0.941	2	114.5620	0.941	2	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	4:3:4:1:	3:3:4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6,6]-4:C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)	C[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5,6a]H)(C[6]N[5,6]HH)	C[6,6a](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H){1|C<4>,1|N<3>,2|C<3>,2|O<2>,5|H<1>}	C[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H){1|O<2>,2|H<1>,3|C<3>,3|C<4>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5,6a]H)(C[6]N[5,6]HH){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	120.9410	0.000	1	120.9410	0.000	1	121.1082	0.786	4	121.4224	1.083	5	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	4:3:4:1:	3:3:4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6,6]-4:C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H){2|C<3>,4|C<4>,6|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	119.9240	0.000	1	119.9240	0.000	1	121.1082	0.786	4	121.4224	1.083	5	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	4:3:4:1:	3:3:4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6,6]-4:C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H){1|O<2>,2|C<3>,4|C<4>,5|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	121.7840	0.124	2	121.7840	0.015	2	121.1082	0.786	4	121.4224	1.083	5	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	4:3:4:1:	3:3:4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6]C[5,6]C[6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[5,6]C[5,6a]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6]C[5,6]C[6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,3|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,6a]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O)(H){1|O<2>,2|C<4>,5|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,2|C<4>,5|H<1>}	122.6790	0.000	1	122.6790	0.000	1	122.6790	0.000	1	121.4224	1.083	5	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	4:3:4:1:	3:4:3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6,6]-4:C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]N[5,6]HH)(C[6a]C[6a]H)	C[6,6a](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<4>,2|C<3>,2|O<2>,5|H<1>}	C[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H){1|O<1>,1|O<2>,2|H<1>,3|C<3>,3|C<4>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]N[5,6]HH)(C[6a]C[6a]H){1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	118.9770	0.000	1	118.9770	0.000	1	119.8647	1.785	3	119.8647	1.785	3	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	4:3:4:1:	3:4:3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6,6]-4:C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[5,6,6]C[6,6a]N[5,6]C[5])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]N[5,6]HH)(C[6a]C[6a]H)	C[6,6a](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,6|H<1>}	C[6,6](C[5,6,6]C[6,6a]N[5,6]C[5])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H){2|C<4>,3|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]N[5,6]HH)(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	121.4010	0.000	1	121.4010	0.000	1	119.8647	1.785	3	119.8647	1.785	3	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	4:3:4:1:	3:4:3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6,6]-4:C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	C[6,6](C[5,6,6]C[6,6a]C[5,6]N[5])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H)	C[6,6a](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|N<3>,2|C<3>,2|C<4>,6|H<1>}	C[6,6](C[5,6,6]C[6,6a]C[5,6]N[5])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H){1|O<2>,3|C<4>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|C<3>,2|H<1>,2|O<2>,3|C<4>}	119.2160	0.000	1	119.2160	0.000	1	119.8647	1.785	3	119.8647	1.785	3	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6,6]	C[6,6a]	4:3:3:	4:3:4:4:	3:3:4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[6,6a]-3:C[6]-4:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6]C[5,6]C[6]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6](C[5,6]C[5,6a]N[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)2	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6]C[5,6]C[6]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,9|H<1>}	C[6,6](C[5,6]C[5,6a]N[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)2{2|C<4>,5|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,3|C<4>,4|H<1>}	122.1560	0.000	2	122.1560	0.000	2	122.1560	0.000	2	122.1560	0.000	2	120.6097	3.427	1123	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[3x6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[3x6,6a]-3:C[6a,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6,6a]-3:N[3x6]-3:C[6,6a]-3:	C[6,6a](C[3x6,6a]C[6,6,6a]N[3x6])(C[6a,6a]C[6a,6a]O[6a])(C[6]C[6]HH)	C[6](C[6,6a]C[3x6,6a]C[6a,6a])(C[6]C[6]HH)(H)2	C[3x6,6a](C[6,6,6a]C[4,4,6,6]C[6a])(N[3x6]C[4,4,6,6]C[6])(C[6,6a]C[6a,6a]C[6])	C[6,6a](C[3x6,6a]C[6,6,6a]N[3x6])(C[6a,6a]C[6a,6a]O[6a])(C[6]C[6]HH){1|C<5>,2|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[3x6,6a]C[6a,6a])(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[3x6,6a](C[6,6,6a]C[4,4,6,6]C[6a])(N[3x6]C[4,4,6,6]C[6])(C[6,6a]C[6a,6a]C[6]){1|C<3>,1|O<2>,3|C<4>,8|H<1>}	121.2600	0.000	1	121.2600	0.000	1	121.2600	0.000	1	121.2600	0.000	1	121.2600	0.000	1	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6,6a]	3:3:4:	3:2:2:1:	3:3:3:	C[6,6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:O-2:H-1:	C[6,6,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6,6a]C[6,6,6a]C[6,6a])(C[6a]C[6a]H)(C[6]O[6]HO)	C[6](C[6,6a]C[6,6,6a]C[6a])(O[6]C[6,6a])(OC)(H)	C[6,6,6a](C[6,6,6a]C[6,6a]2)(C[6,6a]C[6a]C[6])(C[6,6a]C[6a]O[6])	C[6,6a](C[6,6,6a]C[6,6,6a]C[6,6a])(C[6a]C[6a]H)(C[6]O[6]HO){1|Br<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6,6a]C[6a])(O[6]C[6,6a])(OC)(H){1|H<1>,4|C<3>}	C[6,6,6a](C[6,6,6a]C[6,6a]2)(C[6,6a]C[6a]C[6])(C[6,6a]C[6a]O[6]){1|C<4>,2|H<1>,3|C<3>,3|O<2>}	117.0320	0.840	2	117.0320	0.706	2	117.0320	0.706	2	117.0320	0.706	2	120.9113	3.673	357	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:N[6,6]-3:	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6,6a]C[6,6a]O[6])(C[6]C[6]HH)	C[6](C[6,6a]C[6,6,6a]C[6,6a])(C[6]C[6]HH)(H)2	C[6,6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(N[6,6]C[6]2)	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6,6a]C[6,6a]O[6])(C[6]C[6]HH){2|C<3>,2|H<1>,4|C<4>}	C[6](C[6,6a]C[6,6,6a]C[6,6a])(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6,6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(N[6,6]C[6]2){1|C<3>,1|O<2>,2|C<4>,9|H<1>}	121.6848	0.940	4	121.6848	0.884	4	121.6848	0.884	4	119.8775	1.843	114	120.9113	3.673	357	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6,6a]-3:C[6a,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:N[6,6]-3:	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6a,6a]C[6a,6a]O[6a])(C[6]C[6]HH)	C[6](C[6,6a]C[6,6,6a]C[6a,6a])(C[6]C[6]HH)(H)2	C[6,6,6a](C[6,6a]C[6a,6a]C[6])(C[6,6a]C[6a]C[6])(N[6,6]C[6]2)	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6a,6a]C[6a,6a]O[6a])(C[6]C[6]HH){2|H<1>,3|C<3>,3|C<4>}	C[6](C[6,6a]C[6,6,6a]C[6a,6a])(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6,6,6a](C[6,6a]C[6a,6a]C[6])(C[6,6a]C[6a]C[6])(N[6,6]C[6]2){1|C<3>,1|O<2>,2|C<4>,9|H<1>}	120.6057	0.681	23	120.6057	0.464	23	120.6057	0.464	23	119.8775	1.843	114	120.9113	3.673	357	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6,6a]C[6,6,6a]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	C[6,6,6a](C[6,6,6a]C[6,6a]2)(C[6,6a]C[6a]C[6])2	C[6,6a](C[6,6,6a]C[6,6,6a]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{1|H<1>,4|C<3>}	C[6,6,6a](C[6,6,6a]C[6,6a]2)(C[6,6a]C[6a]C[6])2{2|C<4>,3|C<3>,6|H<1>}	118.2777	0.494	8	118.3150	0.217	24	118.3150	0.217	24	119.8775	1.843	114	120.9113	3.673	357	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6,6a]C[6,6,6a]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	C[6,6,6a](C[6,6,6a]C[6,6a]2)(C[6,6a]C[6a]C[6])2	C[6,6a](C[6,6,6a]C[6,6,6a]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{1|H<1>,4|C<3>}	C[6,6,6a](C[6,6,6a]C[6,6a]2)(C[6,6a]C[6a]C[6])2{2|C<4>,3|C<3>,6|H<1>}	118.3337	0.467	16	118.3150	0.217	24	118.3150	0.217	24	119.8775	1.843	114	120.9113	3.673	357	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:N[6,6]-3:	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6a]C[6,6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(N[6,6]C[6]2)	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6a]C[6,6a]H)(C[6]C[6]HH){1|C<3>,2|H<1>,4|C<4>}	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,3|H<1>}	C[6,6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(N[6,6]C[6]2){1|C<3>,1|O<2>,2|C<4>,9|H<1>}	120.2155	0.942	4	120.2155	0.887	4	119.9775	1.295	61	119.8775	1.843	114	120.9113	3.673	357	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:N[6,6]-3:	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6a]C[6a,6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6,6a](C[6,6a]C[6a,6a]C[6])(C[6,6a]C[6a]C[6])(N[6,6]C[6]2)	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6a]C[6a,6a]H)(C[6]C[6]HH){2|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,3|H<1>}	C[6,6,6a](C[6,6a]C[6a,6a]C[6])(C[6,6a]C[6a]C[6])(N[6,6]C[6]2){1|C<3>,1|O<2>,2|C<4>,9|H<1>}	119.3754	0.759	23	119.3754	0.576	23	119.9775	1.295	61	119.8775	1.843	114	120.9113	3.673	357	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:N[6,6]-3:	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6,6a](C[6,6a]C[6a]C[6])2(N[6,6]C[6]2)	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(C[6]C[6]HH){2|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,3|H<1>}	C[6,6,6a](C[6,6a]C[6a]C[6])2(N[6,6]C[6]2){10|H<1>,1|C<3>,2|C<4>}	119.6973	1.514	12	119.9930	1.449	23	119.9775	1.295	61	119.8775	1.843	114	120.9113	3.673	357	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:N[6,6]-3:	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6,6a](C[6,6a]C[6a]C[6])2(N[6,6]C[6]2)	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(C[6]C[6]HH){2|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,3|H<1>}	C[6,6,6a](C[6,6a]C[6a]C[6])2(N[6,6]C[6]2){1|C<3>,1|O<2>,2|C<4>,9|H<1>}	120.3155	0.667	11	119.9930	1.449	23	119.9775	1.295	61	119.8775	1.843	114	120.9113	3.673	357	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:N[6,6]-3:	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6a]C[6a]O)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6,6a](C[6,6a]C[6a]C[6])2(N[6,6]C[6]2)	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6a]C[6a]O)(C[6]C[6]HH){2|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6,6,6a](C[6,6a]C[6a]C[6])2(N[6,6]C[6]2){1|C<3>,1|O<2>,2|C<4>,9|H<1>}	121.1175	0.872	11	121.1175	0.760	11	119.9775	1.295	61	119.8775	1.843	114	120.9113	3.673	357	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:O[4,6,6]-3:	C[6,6a](C[6,6,6a]O[4,6,6]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6,6a]C[6a])(N[6]In[4,6]CC)(H)2	C[6,6,6a](C[6,6a]C[6a]C[6])2(O[4,6,6]In[4,6]2)	C[6,6a](C[6,6,6a]O[4,6,6]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]HH){2|In<5>,1|C<3>,4|C<4>}	C[6](C[6,6a]C[6,6,6a]C[6a])(N[6]In[4,6]CC)(H)2{2|Cl<1>,1|H<1>,1|O<2>,1|O<3>,2|C<3>}	C[6,6,6a](C[6,6a]C[6a]C[6])2(O[4,6,6]In[4,6]2){4|Cl<1>,1|C<3>,1|O<2>,2|N<4>,6|H<1>}	123.5870	0.840	2	123.5870	0.706	2	123.5870	0.706	2	119.8775	1.843	114	120.9113	3.673	357	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[5,6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6,6,6a](C[6,6a]C[5,6a]C[6,6a])(C[6,6a]C[6a]C[6])(C[6,6]C[6]N[6]H)	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[5,6a]H)(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6,6,6a](C[6,6a]C[5,6a]C[6,6a])(C[6,6a]C[6a]C[6])(C[6,6]C[6]N[6]H){1|C<4>,1|O<2>,4|C<3>,5|H<1>}	120.1920	0.000	1	120.3150	0.047	3	120.2327	0.613	11	120.2327	0.613	11	120.9113	3.673	357	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[5,6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6,6,6a](C[6,6a]C[5,6a]C[6,6a])(C[6,6a]C[6a]C[6])(C[6,6]C[6]N[6]H)	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[5,6a]H)(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]N[6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6,6,6a](C[6,6a]C[5,6a]C[6,6a])(C[6,6a]C[6a]C[6])(C[6,6]C[6]N[6]H){1|O<2>,2|C<4>,3|C<3>,5|H<1>}	120.3765	0.268	2	120.3150	0.047	3	120.2327	0.613	11	120.2327	0.613	11	120.9113	3.673	357	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6,6a](C[6,6a]C[6a]C[6])2(C[6,6]C[6]2H)	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(C[6]C[6]HH){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6,6a](C[6,6a]C[6a]C[6])2(C[6,6]C[6]2H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,8|H<1>}	121.2390	0.000	1	121.2390	0.000	1	120.2327	0.613	11	120.2327	0.613	11	120.9113	3.673	357	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6,6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6,6]C[6]N[6]H)	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6,6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6,6]C[6]N[6]H){1|C<4>,1|O<2>,4|C<3>,5|H<1>}	120.0050	0.683	2	120.3950	0.690	3	120.2327	0.613	11	120.2327	0.613	11	120.9113	3.673	357	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6,6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6,6]C[6]N[6]H)	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,1|N<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6,6]C[6]N[6]H){1|O<2>,2|C<4>,3|C<3>,6|H<1>}	121.1750	0.000	1	120.3950	0.690	3	120.2327	0.613	11	120.2327	0.613	11	120.9113	3.673	357	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]O[6]CH)(H)2	C[6,6,6a](C[6,6a]C[6a]C[6])(C[6,6a]C[6a]O[6])(C[6,6]C[6]O[6]H)	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,2|C<4>,2|H<1>,3|O<2>}	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]O[6]CH)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6,6,6a](C[6,6a]C[6a]C[6])(C[6,6a]C[6a]O[6])(C[6,6]C[6]O[6]H){2|C<3>,2|C<4>,5|H<1>}	119.6410	0.000	1	119.6410	0.000	1	120.2327	0.613	11	120.2327	0.613	11	120.9113	3.673	357	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]O[6]HH)(H)2	C[6,6,6a](C[6,6a]C[6a]C[6])(C[6,6a]C[6a]O[6])(C[6,6]C[6]O[6]H)	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]O[6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6,6,6a](C[6,6a]C[6a]C[6])(C[6,6a]C[6a]O[6])(C[6,6]C[6]O[6]H){2|C<3>,2|C<4>,5|H<1>}	119.1720	0.031	2	119.1720	0.001	2	120.2327	0.613	11	120.2327	0.613	11	120.9113	3.673	357	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HO)(H)2	C[6,6,6a](C[6,6a]C[6a]C[6])(C[6,6a]C[6a]O[6])(C[6,6]C[6]2H)	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(C[6]C[6]HH){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HO)(H)2{1|C<4>,1|O<2>,4|C<3>}	C[6,6,6a](C[6,6a]C[6a]C[6])(C[6,6a]C[6a]O[6])(C[6,6]C[6]2H){1|O<2>,2|C<4>,3|C<3>,5|H<1>}	121.2060	0.000	1	121.2060	0.000	1	120.2327	0.613	11	120.2327	0.613	11	120.9113	3.673	357	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6,6a]	3:3:4:	3:4:1:1:	3:4:3:	C[6,6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[3x6]-4:C[6,6a]-3:	C[6,6a](C[6,6,6a]C[6,6a]C[3x6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6,6a](C[6,6a]N[5,6]C[6a])(C[3x6]O[6,6]C[6]2)(C[6,6a]C[6a]C[6])	C[6,6a](C[6,6,6a]C[6,6a]C[3x6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|N<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6,6a](C[6,6a]N[5,6]C[6a])(C[3x6]O[6,6]C[6]2)(C[6,6a]C[6a]C[6]){1|O<2>,2|C<3>,3|C<4>,7|H<1>}	120.6990	0.000	1	120.6990	0.000	1	120.6990	0.000	1	120.7355	0.283	4	120.9113	3.673	357	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6,6a]	3:3:4:	3:4:1:1:	3:4:3:	C[6,6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6,6a]-3:	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6,6a](C[6,6a]N[5,6]C[6a])(C[6,6]C[5,6]C[6]O)(C[6,6a]C[6a]C[6])	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]2)(C[6]C[6]HH){1|N<3>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6,6,6a](C[6,6a]N[5,6]C[6a])(C[6,6]C[5,6]C[6]O)(C[6,6a]C[6a]C[6]){2|C<4>,4|C<3>,6|H<1>}	120.6090	0.000	1	120.6090	0.000	1	120.7477	0.424	3	120.7355	0.283	4	120.9113	3.673	357	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6,6a]	3:3:4:	3:4:1:1:	3:4:3:	C[6,6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6,6a]-3:	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6,6a](C[6,6a]N[5,6]C[6a])(C[6,6]C[5,6]C[6]O)(C[6,6a]C[6a]C[6])	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|N<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6,6a](C[6,6a]N[5,6]C[6a])(C[6,6]C[5,6]C[6]O)(C[6,6a]C[6a]C[6]){2|C<3>,3|C<4>,7|H<1>}	120.8170	0.905	2	120.8170	0.819	2	120.7477	0.424	3	120.7355	0.283	4	120.9113	3.673	357	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6,6a]	3:3:4:	3:4:1:1:	4:3:3:	C[6,6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[3x6]-4:C[6,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6,6a]C[6,6a]C[3x6])(C[6a]C[6a]C)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6,6a](C[3x6]C[6,6]C[6]2)(C[6,6a]C[6a]C[6])2	C[6,6a](C[6,6,6a]C[6,6a]C[3x6])(C[6a]C[6a]C)(C[6]C[6]HH){2|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6,6a](C[3x6]C[6,6]C[6]2)(C[6,6a]C[6a]C[6])2{1|C<3>,1|O<1>,4|C<4>,9|H<1>}	121.5630	0.000	1	121.5630	0.000	1	122.0631	2.666	14	120.9392	5.098	21	120.9113	3.673	357	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6,6a]	3:3:4:	3:4:1:1:	4:3:3:	C[6,6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[3x6]-4:C[6,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6,6a]C[6,6a]C[3x6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6,6]HN)(H)2	C[6,6,6a](C[3x6]C[6,6]C[6]2)(C[6,6a]C[6a]C[6])(C[6,6a]C[6a]O[6])	C[6,6a](C[6,6,6a]C[6,6a]C[3x6])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6,6]HN)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6,6a](C[3x6]C[6,6]C[6]2)(C[6,6a]C[6a]C[6])(C[6,6a]C[6a]O[6]){1|O<2>,2|C<3>,3|C<4>,7|H<1>}	120.7400	0.206	2	119.5767	4.081	3	122.0631	2.666	14	120.9392	5.098	21	120.9113	3.673	357	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6,6a]	3:3:4:	3:4:1:1:	4:3:3:	C[6,6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[3x6]-4:C[6,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6,6a]C[6,6a]C[3x6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6,6]HN)(H)2	C[6,6,6a](C[3x6]C[6,6]C[6]2)(C[6,6a]C[6a]C[6])(C[6,6a]C[6a]O[6])	C[6,6a](C[6,6,6a]C[6,6a]C[3x6])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<4>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6,6]HN)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6,6a](C[3x6]C[6,6]C[6]2)(C[6,6a]C[6a]C[6])(C[6,6a]C[6a]O[6]){1|O<2>,2|C<3>,3|C<4>,7|H<1>}	117.2500	0.000	1	119.5767	4.081	3	122.0631	2.666	14	120.9392	5.098	21	120.9113	3.673	357	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6,6a]	3:3:4:	3:4:1:1:	4:3:3:	C[6,6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[3x6]-4:C[6,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6,6a]C[6,6a]C[3x6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6,6a](C[3x6]C[5a,6]C[3x6]C[6])(C[6,6a]C[5a,6]C[6a])(C[6,6a]C[6a]C[6])	C[6,6a](C[6,6,6a]C[6,6a]C[3x6])(C[6a]C[6a]H)(C[6]C[6]HH){2|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6,6a](C[3x6]C[5a,6]C[3x6]C[6])(C[6,6a]C[5a,6]C[6a])(C[6,6a]C[6a]C[6]){1|O<2>,1|S<2>,2|C<4>,5|C<3>,5|H<1>}	122.4955	0.158	2	122.4955	0.025	2	122.0631	2.666	14	120.9392	5.098	21	120.9113	3.673	357	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6,6a]	3:3:4:	3:4:1:1:	4:3:3:	C[6,6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[3x6]-4:C[6,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6,6a]C[6,6a]C[3x6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6,6a](C[3x6]C[6,6a]C[3x6]C[6])(C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])	C[6,6a](C[6,6,6a]C[6,6a]C[3x6])(C[6a]C[6a]H)(C[6]C[6]HH){2|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6,6a](C[3x6]C[6,6a]C[3x6]C[6])(C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6]){1|O<2>,2|C<4>,5|H<1>,6|C<3>}	122.9500	0.379	8	122.9500	0.143	8	122.0631	2.666	14	120.9392	5.098	21	120.9113	3.673	357	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6,6a]	3:3:4:	3:4:1:1:	4:3:3:	C[6,6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6,6a]C[5,6,6]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]N[5,6]HH)(H)2	C[6,6,6a](C[5,6,6]C[5,6]N[5,6]C)(C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])	C[6,6a](C[6,6,6a]C[5,6,6]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]N[5,6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6,6,6a](C[5,6,6]C[5,6]N[5,6]C)(C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6]){1|C<4>,2|O<2>,4|C<3>,4|H<1>}	121.5490	0.000	1	121.5490	0.000	1	121.5490	0.000	1	120.9392	5.098	21	120.9113	3.673	357	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6,6a]	3:3:4:	3:4:1:1:	4:3:3:	C[6,6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6,6a](C[6,6]C[6,6a]C[6]O)(C[6,6a]C[6a]C[6])(C[6,6a]C[6a]O[6])	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(C[6]C[6]HH){2|O<2>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6,6,6a](C[6,6]C[6,6a]C[6]O)(C[6,6a]C[6a]C[6])(C[6,6a]C[6a]O[6]){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	118.4780	0.000	1	118.4780	0.000	1	118.2152	0.945	6	120.9392	5.098	21	120.9113	3.673	357	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6,6a]	3:3:4:	3:4:1:1:	4:3:3:	C[6,6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]O[6]HH)(H)2	C[6,6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6,6a]C[6a]O[6])	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]O[6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6,6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6,6a]C[6a]O[6]){2|C<3>,3|C<4>,4|H<1>}	119.2775	0.456	2	119.2775	0.208	2	118.2152	0.945	6	120.9392	5.098	21	120.9113	3.673	357	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6,6a]	3:3:4:	3:4:1:1:	4:3:3:	C[6,6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6,6a](C[6,6]C[6,6a]C[6]H)(C[6,6a]C[6,6]C[6a])(C[6,6a]C[6a]C[6])	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(C[6]C[6]HH){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6,6a](C[6,6]C[6,6a]C[6]H)(C[6,6a]C[6,6]C[6a])(C[6,6a]C[6a]C[6]){1|O<2>,2|C<4>,3|C<3>,6|H<1>}	117.4193	0.380	3	117.4193	0.144	3	118.2152	0.945	6	120.9392	5.098	21	120.9113	3.673	357	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6,6a]	3:3:4:	3:4:4:1:	3:3:3:	C[6,6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6,6a]-3:C[6,6]-3:	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]O[6]HH)(CH3)(H)	C[6,6,6a](C[6,6a]C[6a]C[6])2(C[6,6]C[6]O[6])	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(C[6]C[6]CH){1|O<2>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]O[6]HH)(CH3)(H){1|H<1>,3|C<3>}	C[6,6,6a](C[6,6a]C[6a]C[6])2(C[6,6]C[6]O[6]){1|O<1>,2|C<3>,2|H<1>,4|C<4>}	120.7080	0.314	4	120.7080	0.099	4	120.6133	0.083	6	120.6133	0.083	6	120.9113	3.673	357	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6,6a]	3:3:4:	3:4:4:1:	3:3:3:	C[6,6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6,6a]-3:C[6,6]-3:	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]O[6]HH)(CH3)(H)	C[6,6,6a](C[6,6a]C[6a]C[6])2(C[6,6]C[6]O[6])	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(C[6]C[6]CH){1|O<2>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]O[6]HH)(CH3)(H){1|O<2>,3|C<3>}	C[6,6,6a](C[6,6a]C[6a]C[6])2(C[6,6]C[6]O[6]){1|H<1>,1|O<1>,1|O<2>,2|C<3>,4|C<4>}	120.4240	0.099	2	120.4240	0.010	2	120.6133	0.083	6	120.6133	0.083	6	120.9113	3.673	357	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6,6a]	3:3:4:	3:4:4:1:	3:3:4:	C[6,6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HH)(CH3)(H)	C[6,6,6a](C[6,6a]C[6a]C[6])2(C[6,6]C[6]2H)	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(C[6]C[6]CH){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HH)(CH3)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6,6a](C[6,6a]C[6a]C[6])2(C[6,6]C[6]2H){1|C<3>,1|O<1>,1|O<2>,4|H<1>,5|C<4>}	123.8260	0.000	1	123.8260	0.000	1	123.8260	0.000	1	123.8260	0.000	1	120.9113	3.673	357	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6,6a]	3:3:4:	3:4:4:1:	4:3:3:	C[6,6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6]-4:C[6,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]C)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]O[6]CH)(CH3)(H)	C[6,6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6,6a]C[6a]O[6])	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]C)(C[6]C[6]CH){1|C<3>,2|C<4>,2|H<1>,3|O<2>}	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]O[6]CH)(CH3)(H){2|C<3>,2|C<4>}	C[6,6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6,6a]C[6a]O[6]){1|C<3>,3|H<1>,5|C<4>}	118.9990	0.000	1	118.9990	0.000	1	118.9990	0.000	1	118.9990	0.000	1	120.9113	3.673	357	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6,6a]	3:3:4:	3:4:4:4:	3:3:3:	C[6,6,6a]-3:C[6a,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6,6a]-3:C[6,6a]-3:N[6,6]-3:	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6a,6a]C[6a,6a]O[6a])(C[6]C[6]CC)	C[6](C[6,6a]C[6,6,6a]C[6a,6a])(C[6]C[6]HH)(CH3)2	C[6,6,6a](C[6,6a]C[6a,6a]C[6])(C[6,6a]C[6a]C[6])(N[6,6]C[6]2)	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6a,6a]C[6a,6a]O[6a])(C[6]C[6]CC){2|H<1>,3|C<3>,3|C<4>}	C[6](C[6,6a]C[6,6,6a]C[6a,6a])(C[6]C[6]HH)(CH3)2{1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6,6,6a](C[6,6a]C[6a,6a]C[6])(C[6,6a]C[6a]C[6])(N[6,6]C[6]2){1|C<3>,1|O<2>,5|H<1>,6|C<4>}	120.8350	1.557	2	120.8350	2.424	2	120.8350	2.424	2	119.8543	1.561	9	120.9113	3.673	357	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6,6a]	3:3:4:	3:4:4:4:	3:3:3:	C[6,6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6,6a]-3:C[6,6a]-3:N[6,6]-3:	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6a]C[6a,6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HH)(CH3)2	C[6,6,6a](C[6,6a]C[6a,6a]C[6])(C[6,6a]C[6a]C[6])(N[6,6]C[6]2)	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6a]C[6a,6a]H)(C[6]C[6]CC){2|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HH)(CH3)2{1|N<3>,2|C<3>,3|H<1>}	C[6,6,6a](C[6,6a]C[6a,6a]C[6])(C[6,6a]C[6a]C[6])(N[6,6]C[6]2){1|C<3>,1|O<2>,5|H<1>,6|C<4>}	119.6250	0.023	2	119.6250	0.001	2	119.5741	1.265	7	119.8543	1.561	9	120.9113	3.673	357	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6,6a]	3:3:4:	3:4:4:4:	3:3:3:	C[6,6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6,6a]-3:C[6,6a]-3:N[6,6]-3:	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HH)(CH3)2	C[6,6,6a](C[6,6a]C[6a]C[6])2(N[6,6]C[6]2)	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(C[6]C[6]CC){2|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HH)(CH3)2{1|N<3>,2|C<3>,3|H<1>}	C[6,6,6a](C[6,6a]C[6a]C[6])2(N[6,6]C[6]2){1|C<3>,1|O<2>,5|H<1>,6|C<4>}	119.0320	1.600	3	119.0320	2.561	3	119.5741	1.265	7	119.8543	1.561	9	120.9113	3.673	357	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6,6a]	3:3:4:	3:4:4:4:	3:3:3:	C[6,6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6,6a]-3:C[6,6a]-3:N[6,6]-3:	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6a]C[6a]O)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HH)(CH3)2	C[6,6,6a](C[6,6a]C[6a]C[6])2(N[6,6]C[6]2)	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6a]C[6a]O)(C[6]C[6]CC){2|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HH)(CH3)2{1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6,6,6a](C[6,6a]C[6a]C[6])2(N[6,6]C[6]2){1|C<3>,1|O<2>,5|H<1>,6|C<4>}	120.3365	0.647	2	120.3365	0.419	2	119.5741	1.265	7	119.8543	1.561	9	120.9113	3.673	357	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6,6a]	3:3:4:	3:4:4:4:	3:3:4:	C[6,6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HH)(CCCH)(CH3)	C[6,6,6a](C[6,6a]C[6a]C[6])(C[6,6a]C[6a]N[6])(C[6,6]C[6]2C)	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(C[6]C[6]CC){1|C<3>,1|N<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HH)(CCCH)(CH3){1|C<4>,2|C<3>,3|H<1>}	C[6,6,6a](C[6,6a]C[6a]C[6])(C[6,6a]C[6a]N[6])(C[6,6]C[6]2C){2|C<3>,3|C<4>,7|H<1>}	122.2950	0.000	1	122.2950	0.000	1	122.2950	0.000	1	122.2950	0.000	1	120.9113	3.673	357	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6,6a]	3:4:3:	3:3:1:1:	3:3:3:	C[6,6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:H-1:H-1:	B[3x6]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6,6a]C[6,6a]B[3x6])(C[6]C[6,6a]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6,6a]C[6a])2(H)2	C[6,6,6a](B[3x6]C[6,6,6a]2)(C[6,6a]C[6a]C[6])2	C[6,6a](C[6,6,6a]C[6,6a]B[3x6])(C[6]C[6,6a]HH)(C[6a]C[6a]H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6,6a]C[6a])2(H)2{1|B<3>,2|H<1>,4|C<3>}	C[6,6,6a](B[3x6]C[6,6,6a]2)(C[6,6a]C[6a]C[6])2{2|C<4>,4|H<1>,5|C<3>}	121.0876	1.126	16	121.0876	1.268	16	121.0876	1.268	16	121.0876	1.268	16	120.9113	3.673	357	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6,6a]	3:4:3:	3:3:3:3:	3:3:3:	C[6,6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:N[3x6]-3:	C[6,6a](C[6,6,6a]C[6,6a]N[3x6])(C[6]C[6,6a]C[6a]2)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6,6a]C[6a])2(C[6a]C[6a]2)2	C[6,6,6a](C[6,6a]C[6a]C[6])2(N[3x6]C[6,6,6a]2)	C[6,6a](C[6,6,6a]C[6,6a]N[3x6])(C[6]C[6,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|H<1>,8|C<3>}	C[6](C[6,6a]C[6,6,6a]C[6a])2(C[6a]C[6a]2)2{1|N<3>,6|H<1>,8|C<3>}	C[6,6,6a](C[6,6a]C[6a]C[6])2(N[3x6]C[6,6,6a]2){2|H<1>,9|C<3>}	118.9350	0.334	4	119.5273	1.709	10	119.5273	1.709	10	119.5273	1.709	10	120.9113	3.673	357	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6,6a]	3:4:3:	3:3:3:3:	3:3:3:	C[6,6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:N[3x6]-3:	C[6,6a](C[6,6,6a]C[6,6a]N[3x6])(C[6]C[6,6a]C[6a]2)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6,6a]C[6a])2(C[6a]C[6a]2)2	C[6,6,6a](C[6,6a]C[6a]C[6])2(N[3x6]C[6,6,6a]2)	C[6,6a](C[6,6,6a]C[6,6a]N[3x6])(C[6]C[6,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,9|C<3>}	C[6](C[6,6a]C[6,6,6a]C[6a])2(C[6a]C[6a]2)2{1|N<3>,6|H<1>,8|C<3>}	C[6,6,6a](C[6,6a]C[6a]C[6])2(N[3x6]C[6,6,6a]2){2|H<1>,9|C<3>}	119.9222	1.594	6	119.5273	1.709	10	119.5273	1.709	10	119.5273	1.709	10	120.9113	3.673	357	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6,6a]	3:4:3:	3:3:4:4:	3:3:3:	C[6,6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	B[3x6]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6,6a]C[6,6a]B[3x6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6,6a]C[6a])2(CH3)2	C[6,6,6a](B[3x6]C[6,6,6a]2)(C[6,6a]C[6a]C[6])2	C[6,6a](C[6,6,6a]C[6,6a]B[3x6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6,6a]C[6a])2(CH3)2{1|B<3>,2|H<1>,4|C<3>}	C[6,6,6a](B[3x6]C[6,6,6a]2)(C[6,6a]C[6a]C[6])2{2|C<4>,4|H<1>,5|C<3>}	122.2457	1.024	14	121.9565	2.064	57	121.9565	2.064	57	121.8634	3.743	160	120.9113	3.673	357	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6,6a]	3:4:3:	3:3:4:4:	3:3:3:	C[6,6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	B[3x6]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6,6a]C[6,6a]B[3x6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6,6a]C[6a])2(CH3)2	C[6,6,6a](B[3x6]C[6,6,6a]2)(C[6,6a]C[6a]C[6])2	C[6,6a](C[6,6,6a]C[6,6a]B[3x6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6,6a]C[6a])2(CH3)2{1|B<3>,2|H<1>,4|C<3>}	C[6,6,6a](B[3x6]C[6,6,6a]2)(C[6,6a]C[6a]C[6])2{2|H<1>,4|C<4>,5|C<3>}	121.2731	1.713	19	121.9565	2.064	57	121.9565	2.064	57	121.8634	3.743	160	120.9113	3.673	357	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6,6a]	3:4:3:	3:3:4:4:	3:3:3:	C[6,6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	B[3x6]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6,6a]C[6,6a]B[3x6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6,6a]C[6a])2(CH3)2	C[6,6,6a](B[3x6]C[6,6,6a]2)(C[6,6a]C[6a]C[6])2	C[6,6a](C[6,6,6a]C[6,6a]B[3x6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|C<4>,5|C<3>}	C[6](C[6,6a]C[6,6,6a]C[6a])2(CH3)2{1|B<3>,2|H<1>,4|C<3>}	C[6,6,6a](B[3x6]C[6,6,6a]2)(C[6,6a]C[6a]C[6])2{2|H<1>,4|C<4>,5|C<3>}	122.8683	1.033	16	121.9565	2.064	57	121.9565	2.064	57	121.8634	3.743	160	120.9113	3.673	357	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6,6a]	3:4:3:	3:3:4:4:	3:3:3:	C[6,6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	B[3x6]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6,6a]C[6,6a]B[3x6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6,6a]C[6a])2(CH3)2	C[6,6,6a](B[3x6]C[6,6,6a]2)(C[6,6a]C[6a]C[6])2	C[6,6a](C[6,6,6a]C[6,6a]B[3x6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6,6a]C[6a])2(CH3)2{1|B<3>,2|H<1>,4|C<3>}	C[6,6,6a](B[3x6]C[6,6,6a]2)(C[6,6a]C[6a]C[6])2{1|O<1>,2|C<4>,2|H<1>,5|C<3>}	122.2500	0.348	2	121.9565	2.064	57	121.9565	2.064	57	121.8634	3.743	160	120.9113	3.673	357	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6,6a]	3:4:3:	3:3:4:4:	3:3:3:	C[6,6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	B[3x6]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6,6a]C[6,6a]B[3x6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6,6a]C[6a])2(CH3)2	C[6,6,6a](B[3x6]C[6,6,6a]2)(C[6,6a]C[6a]C[6])2	C[6,6a](C[6,6,6a]C[6,6a]B[3x6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6,6a]C[6a])2(CH3)2{1|B<3>,2|H<1>,4|C<3>}	C[6,6,6a](B[3x6]C[6,6,6a]2)(C[6,6a]C[6a]C[6])2{2|C<4>,3|H<1>,5|C<3>}	120.4672	0.415	4	121.9565	2.064	57	121.9565	2.064	57	121.8634	3.743	160	120.9113	3.673	357	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6,6a]	3:4:3:	3:3:4:4:	3:3:3:	C[6,6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	B[3x6]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6,6a]C[6,6a]B[3x6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6,6a]C[6a])2(CH3)2	C[6,6,6a](B[3x6]C[6,6,6a]2)(C[6,6a]C[6a]C[6])2	C[6,6a](C[6,6,6a]C[6,6a]B[3x6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){2|C<4>,4|C<3>}	C[6](C[6,6a]C[6,6,6a]C[6a])2(CH3)2{1|B<3>,2|H<1>,4|C<3>}	C[6,6,6a](B[3x6]C[6,6,6a]2)(C[6,6a]C[6a]C[6])2{2|H<1>,4|C<4>,5|C<3>}	121.8165	0.179	2	121.9565	2.064	57	121.9565	2.064	57	121.8634	3.743	160	120.9113	3.673	357	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6,6a]	3:4:3:	3:3:4:4:	3:3:3:	C[6,6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	B[6,6,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6,6a]B[6,6,6a]C[6,6a])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6,6a]C[6a])(CH3)2	C[6,6,6a](B[6,6,6a]C[6,6a,6a]2)(C[6,6a]C[6a]C[6])2	C[6,6a](C[6,6,6a]B[6,6,6a]C[6,6a])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6,6a]C[6a])(CH3)2{1|B<3>,2|H<1>,4|C<3>}	C[6,6,6a](B[6,6,6a]C[6,6a,6a]2)(C[6,6a]C[6a]C[6])2{2|H<1>,4|C<4>,5|C<3>}	122.5582	0.409	6	122.5582	0.168	6	122.5582	0.168	6	121.8634	3.743	160	120.9113	3.673	357	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6,6a]	3:4:3:	3:3:4:4:	3:3:3:	C[6,6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[3x6]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6,6a]C[6,6a]C[3x6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6,6a]C[6a])2(CH3)2	C[6,6,6a](C[3x6]C[6,6,6a]2)(C[6,6a]C[6a]C[6])2	C[6,6a](C[6,6,6a]C[6,6a]C[3x6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6,6a]C[6a])2(CH3)2{2|H<1>,5|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]2)(C[6,6a]C[6a]C[6])2{2|H<1>,4|C<4>,5|C<3>}	122.6129	0.689	7	122.6129	0.475	7	122.6129	0.475	7	121.8634	3.743	160	120.9113	3.673	357	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6,6a]	3:4:3:	3:3:4:4:	3:3:3:	C[6,6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6,6a]-3:B[3x6]-3:C[6,6a]-3:	C[6,6a](C[6,6,6a]C[6,6,6a]B[3x6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6,6a]C[6a])2(CH3)2	C[6,6,6a](C[6,6,6a]C[6,6a]C[3x6])(B[3x6]C[6,6,6a]2)(C[6,6a]C[6a]C[6])	C[6,6a](C[6,6,6a]C[6,6,6a]B[3x6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6,6a]C[6a])2(CH3)2{1|B<3>,2|H<1>,4|C<3>}	C[6,6,6a](C[6,6,6a]C[6,6a]C[3x6])(B[3x6]C[6,6,6a]2)(C[6,6a]C[6a]C[6]){1|H<1>,3|C<4>,6|C<3>}	123.7237	0.656	4	123.7237	0.430	4	123.7237	0.430	4	121.8634	3.743	160	120.9113	3.673	357	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6,6a]	3:4:3:	3:3:4:4:	3:3:3:	C[6,6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6,6a]-3:C[3x6]-3:C[6,6a]-3:	C[6,6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6,6a]C[6a])2(CH3)2	C[6,6,6a](C[6,6,6a]C[6,6a]B[3x6])(C[3x6]C[6,6,6a]2)(C[6,6a]C[6a]C[6])	C[6,6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|B<3>,1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6,6a]C[6a])2(CH3)2{2|H<1>,5|C<3>}	C[6,6,6a](C[6,6,6a]C[6,6a]B[3x6])(C[3x6]C[6,6,6a]2)(C[6,6a]C[6a]C[6]){1|H<1>,3|C<4>,6|C<3>}	123.1252	1.033	4	123.1252	1.067	4	123.1252	1.067	4	121.8634	3.743	160	120.9113	3.673	357	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6,6a]	3:4:3:	3:3:4:4:	3:3:3:	C[6,6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6,6a]C[6,6,6a]C[6,6a])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6,6a]C[6a])(CH3)2	C[6,6,6a](C[6,6,6a]C[6,6a,6a]2)(C[6,6a]C[6a]C[6])(C[6,6a]C[6a]N[6])	C[6,6a](C[6,6,6a]C[6,6,6a]C[6,6a])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|H<1>,1|N<3>,4|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6,6a]C[6a])(CH3)2{2|H<1>,5|C<3>}	C[6,6,6a](C[6,6,6a]C[6,6a,6a]2)(C[6,6a]C[6a]C[6])(C[6,6a]C[6a]N[6]){2|H<1>,3|C<4>,5|C<3>}	119.9180	0.000	1	119.9180	0.000	1	121.3733	2.537	3	121.8634	3.743	160	120.9113	3.673	357	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6,6a]	3:4:3:	3:3:4:4:	3:3:3:	C[6,6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6,6a]C[6,6,6a]C[6,6a])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6,6a]C[6a])(CH3)2	C[6,6,6a](C[6,6,6a]C[6,6a,6a]2)(C[6,6a]C[6a]C[6])(C[6,6a]C[6a]O[6])	C[6,6a](C[6,6,6a]C[6,6,6a]C[6,6a])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|H<1>,1|O<2>,4|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6,6a]C[6a])(CH3)2{2|H<1>,5|C<3>}	C[6,6,6a](C[6,6,6a]C[6,6a,6a]2)(C[6,6a]C[6a]C[6])(C[6,6a]C[6a]O[6]){2|C<4>,2|H<1>,5|C<3>}	121.1270	0.000	1	121.1270	0.000	1	121.3733	2.537	3	121.8634	3.743	160	120.9113	3.673	357	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6,6a]	3:4:3:	3:3:4:4:	3:3:3:	C[6,6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6,6a]C[6,6,6a]C[6,6a])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6,6a]C[6a])(CH3)2	C[6,6,6a](C[6,6,6a]C[6,6a,6a]2)(C[6,6a]C[6a]C[6])2	C[6,6a](C[6,6,6a]C[6,6,6a]C[6,6a])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6,6a]C[6a])(CH3)2{2|H<1>,5|C<3>}	C[6,6,6a](C[6,6,6a]C[6,6a,6a]2)(C[6,6a]C[6a]C[6])2{2|H<1>,4|C<4>,5|C<3>}	123.0750	0.000	1	123.0750	0.000	1	121.3733	2.537	3	121.8634	3.743	160	120.9113	3.673	357	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6,6a]	3:4:3:	3:3:4:4:	3:3:3:	C[6,6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a,6a]-3:B[3x6]-3:C[6,6a]-3:	C[6,6a](C[6,6,6a]C[6,6a,6a]B[3x6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6,6a]C[6a])2(CH3)2	C[6,6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(B[3x6]C[6,6,6a]2)(C[6,6a]C[6a]C[6])	C[6,6a](C[6,6,6a]C[6,6a,6a]B[3x6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6,6a]C[6a])2(CH3)2{1|B<3>,2|H<1>,4|C<3>}	C[6,6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(B[3x6]C[6,6,6a]2)(C[6,6a]C[6a]C[6]){1|H<1>,2|C<4>,7|C<3>}	123.3810	0.000	1	123.3810	0.000	1	123.3810	0.000	1	121.8634	3.743	160	120.9113	3.673	357	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6,6a]	3:4:3:	3:3:4:4:	3:3:3:	C[6,6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:B[3x6]-3:C[6,6a]-3:	C[6,6a](C[6,6,6a]C[6,6a]B[3x6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6,6a]C[6a])2(CH3)2	C[6,6,6a](C[6,6a]C[6,6a]C[6a])(B[3x6]C[6,6,6a]2)(C[6,6a]C[6a]C[6])	C[6,6a](C[6,6,6a]C[6,6a]B[3x6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6,6a]C[6a])2(CH3)2{1|B<3>,2|H<1>,4|C<3>}	C[6,6,6a](C[6,6a]C[6,6a]C[6a])(B[3x6]C[6,6,6a]2)(C[6,6a]C[6a]C[6]){2|C<4>,2|H<1>,6|C<3>}	122.2860	0.000	1	122.2860	0.000	1	122.2860	0.000	1	121.8634	3.743	160	120.9113	3.673	357	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6,6a]	3:4:3:	3:3:4:4:	3:3:3:	C[6,6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:C[6,6a]-3:B[6,6]-3:	C[6,6a](C[6,6,6a]C[6,6a]B[6,6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CH3)2	C[6,6,6a](C[6,6a]C[6a]C[6])2(B[6,6]C[6,6a]2)	C[6,6a](C[6,6,6a]C[6,6a]B[6,6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CH3)2{1|B<3>,2|H<1>,4|C<3>}	C[6,6,6a](C[6,6a]C[6a]C[6])2(B[6,6]C[6,6a]2){2|H<1>,4|C<4>,5|C<3>}	119.6645	2.085	2	119.8180	2.245	3	119.8180	2.245	3	121.8634	3.743	160	120.9113	3.673	357	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6,6a]	3:4:3:	3:3:4:4:	3:3:3:	C[6,6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:C[6,6a]-3:B[6,6]-3:	C[6,6a](C[6,6,6a]C[6,6a]B[6,6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CH3)2	C[6,6,6a](C[6,6a]C[6a]C[6])2(B[6,6]C[6,6a]2)	C[6,6a](C[6,6,6a]C[6,6a]B[6,6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|C<4>,5|C<3>}	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CH3)2{1|B<3>,2|H<1>,4|C<3>}	C[6,6,6a](C[6,6a]C[6a]C[6])2(B[6,6]C[6,6a]2){2|H<1>,4|C<4>,5|C<3>}	120.1250	0.000	1	119.8180	2.245	3	119.8180	2.245	3	121.8634	3.743	160	120.9113	3.673	357	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6,6a]	3:4:3:	3:3:4:4:	3:3:3:	C[6,6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:C[6,6a]-3:N[3x6]-3:	C[6,6a](C[6,6,6a]C[6,6a]N[3x6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6,6a]C[6a])2(CH3)2	C[6,6,6a](C[6,6a]C[6a]C[6])2(N[3x6]C[6,6,6a]2)	C[6,6a](C[6,6,6a]C[6,6a]N[3x6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|Br<1>,1|C<4>,4|C<3>}	C[6](C[6,6a]C[6,6,6a]C[6a])2(CH3)2{1|N<3>,2|H<1>,4|C<3>}	C[6,6,6a](C[6,6a]C[6a]C[6])2(N[3x6]C[6,6,6a]2){2|H<1>,4|C<4>,5|C<3>}	123.1902	0.448	6	121.6899	5.285	72	121.6899	5.285	72	121.8634	3.743	160	120.9113	3.673	357	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6,6a]	3:4:3:	3:3:4:4:	3:3:3:	C[6,6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:C[6,6a]-3:N[3x6]-3:	C[6,6a](C[6,6,6a]C[6,6a]N[3x6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6,6a]C[6a])2(CH3)2	C[6,6,6a](C[6,6a]C[6a]C[6])2(N[3x6]C[6,6,6a]2)	C[6,6a](C[6,6,6a]C[6,6a]N[3x6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6,6a]C[6a])2(CH3)2{1|N<3>,2|H<1>,4|C<3>}	C[6,6,6a](C[6,6a]C[6a]C[6])2(N[3x6]C[6,6,6a]2){2|H<1>,4|C<4>,5|C<3>}	121.6745	2.326	40	121.6899	5.285	72	121.6899	5.285	72	121.8634	3.743	160	120.9113	3.673	357	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6,6a]	3:4:3:	3:3:4:4:	3:3:3:	C[6,6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:C[6,6a]-3:N[3x6]-3:	C[6,6a](C[6,6,6a]C[6,6a]N[3x6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6,6a]C[6a])2(CH3)2	C[6,6,6a](C[6,6a]C[6a]C[6])2(N[3x6]C[6,6,6a]2)	C[6,6a](C[6,6,6a]C[6,6a]N[3x6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|C<4>,5|C<3>}	C[6](C[6,6a]C[6,6,6a]C[6a])2(CH3)2{1|N<3>,2|H<1>,4|C<3>}	C[6,6,6a](C[6,6a]C[6a]C[6])2(N[3x6]C[6,6,6a]2){2|H<1>,4|C<4>,5|C<3>}	121.3673	2.426	26	121.6899	5.285	72	121.6899	5.285	72	121.8634	3.743	160	120.9113	3.673	357	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6,6a]	3:4:3:	3:3:4:4:	3:3:3:	C[6,6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:N[6,6]-3:C[6,6a]-3:	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CH3)2	C[6,6,6a](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]N[6,6])(C[6,6a]C[6a]C[6])	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|C<4>,1|N<3>,4|C<3>}	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CH3)2{1|N<3>,2|H<1>,4|C<3>}	C[6,6,6a](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]N[6,6])(C[6,6a]C[6a]C[6]){2|C<4>,2|H<1>,6|C<3>}	117.3380	0.387	2	117.3380	0.150	2	117.3380	0.150	2	121.8634	3.743	160	120.9113	3.673	357	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6,6a]	3:4:3:	3:4:4:4:	4:3:3:	C[6,6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C-4:C-4:	C[6,6]-4:C[6,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6]C[5,6]CC)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(CH3)2	C[6,6,6a](C[6,6]C[5,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6,6a]C[6a]O[6])	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6]C[5,6]CC)(C[6a]C[6a]O){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[6](C[6,6a]C[6,6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(CH3)2{1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[6,6,6a](C[6,6]C[5,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6,6a]C[6a]O[6]){1|C<3>,1|O<2>,2|H<1>,5|C<4>}	121.7180	0.000	1	121.7180	0.000	1	121.7180	0.000	1	121.7180	0.000	1	120.9113	3.673	357	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a,6a]	3:2:4:	3:3:4:4:	3:3:3:	C[6,6a,6a]-3:N[6a]-2:C[6]-4:	C[6,6a]-3:C[6]-3:C-4:C-4:	C[6a,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(N[6a]C[6a,6a])(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a,6a]N[6a])(C[6]N[6]O)(CCHH)(CH3)	C[6,6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]N[6])(C[6,6a]N[6a]C[6])	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(N[6a]C[6a,6a])(C[6]C[6]CC){1|N<3>,1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a,6a]N[6a])(C[6]N[6]O)(CCHH)(CH3){1|C<4>,3|C<3>}	C[6,6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]N[6])(C[6,6a]N[6a]C[6]){2|H<1>,3|C<4>,4|C<3>}	118.4250	0.724	2	118.4250	0.524	2	118.4250	0.524	2	118.4250	0.524	2	119.0199	4.403	90	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a,6a]	3:3:4:	3:2:1:1:	3:3:3:	C[6,6a,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6a,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]C)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a,6a]C[6a])(O[6]C[6])(H)2	C[6,6a,6a](C[6a,6a]C[6a]O[6a])(C[6,6a]C[6a]C[6])2	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]C)(C[6]O[6]HH){1|O<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(O[6]C[6])(H)2{1|C<4>,1|O<1>,3|C<3>}	C[6,6a,6a](C[6a,6a]C[6a]O[6a])(C[6,6a]C[6a]C[6])2{1|C<4>,1|O<1>,2|C<3>,2|O<2>,3|H<1>}	116.7580	0.000	1	116.7580	0.000	1	116.7580	0.000	1	116.7580	0.000	1	119.0199	4.403	90	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a,6a]	3:3:4:	3:2:2:1:	3:3:3:	C[6,6a,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:O-2:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]O[6]HO)	C[6](C[6,6a]C[6,6a,6a]C[6a])(O[6]C[6])(OH)(H)	C[6,6a,6a](C[6,6a]C[6a]C[6])2(C[6a,6a]C[6a]2)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]O[6]HO){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(O[6]C[6])(OH)(H){1|H<1>,1|O<1>,3|C<3>}	C[6,6a,6a](C[6,6a]C[6a]C[6])2(C[6a,6a]C[6a]2){1|O<1>,2|C<3>,2|O<2>,5|H<1>}	119.3325	1.169	2	119.3325	1.366	2	119.3325	1.366	2	119.3325	1.366	2	119.0199	4.403	90	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[6,6a,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[6a,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]C)(H)2	C[6,6a,6a](C[6a,6a]C[6a,6a]2)(C[6,6a]C[6a]C[6])2	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a,6a]C[6a])(C[6]C[6]HH){1|C<4>,7|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]C)(H)2{1|H<1>,4|C<3>}	C[6,6a,6a](C[6a,6a]C[6a,6a]2)(C[6,6a]C[6a]C[6])2{3|H<1>,7|C<3>}	121.0090	0.000	1	121.0090	0.000	1	121.0090	0.000	1	121.0090	0.000	1	119.0199	4.403	90	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a,6a]	3:3:4:	3:3:3:4:	3:3:3:	C[6,6a,6a]-3:C[5a,6a]-3:C[6]-4:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:C-4:	C[6,6a,6a]-3:C[5a,6a,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[5a,6a]C[5a,6a,6a]C[5a])(C[6]C[6,6a]C[6a]C)	C[6](C[6,6a]C[6,6a,6a]C[5a,6a])(C[6,6a]C[6,6a,6a]C[6,6a])(C[6a]C[6a]2)(CCHH)	C[6,6a,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[6,6a]C[5a,6a]C[6])	C[6,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[5a,6a]C[5a,6a,6a]C[5a])(C[6]C[6,6a]C[6a]C){1|O<1>,9|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[5a,6a])(C[6,6a]C[6,6a,6a]C[6,6a])(C[6a]C[6a]2)(CCHH){1|C<4>,2|H<1>,8|C<3>}	C[6,6a,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[6,6a]C[5a,6a]C[6]){1|C<4>,9|C<3>}	114.2910	0.000	1	114.2910	0.000	1	114.2910	0.000	1	111.3563	7.135	3	119.0199	4.403	90	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a,6a]	3:3:4:	3:3:3:4:	3:3:3:	C[6,6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:C-4:	C[6,6a,6a]-3:C[5a,6a,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[6,6a]C[6,6a,6a]C[6])(C[6]C[6,6a]C[6a]C)	C[6](C[6,6a]C[6,6a,6a]C[5a,6a])(C[6,6a]C[6,6a,6a]C[6,6a])(C[6a]C[6a]2)(CCHH)	C[6,6a,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[6,6a]C[6,6a]C[6])	C[6,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[6,6a]C[6,6a,6a]C[6])(C[6]C[6,6a]C[6a]C){10|C<3>,1|C<4>}	C[6](C[6,6a]C[6,6a,6a]C[5a,6a])(C[6,6a]C[6,6a,6a]C[6,6a])(C[6a]C[6a]2)(CCHH){1|C<4>,2|H<1>,8|C<3>}	C[6,6a,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[6,6a]C[6,6a]C[6]){2|C<4>,8|C<3>}	110.7110	0.000	1	110.7110	0.000	1	110.7110	0.000	1	111.3563	7.135	3	119.0199	4.403	90	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a,6a]	3:3:4:	3:3:3:4:	3:3:3:	C[6,6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C[6a]-3:C-4:	C[6,6a,6a]-3:C[5a,6a,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[6,6a]C[6,6a,6a]C[6])(C[6]C[6a]C[6]C)	C[6](C[6,6a]C[6,6a,6a]C[6,6a])(C[6]C[6,6a]O)(C[6a]C[6a]2)(CCHH)	C[6,6a,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[6,6a]C[6,6a]C[6])	C[6,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[6,6a]C[6,6a,6a]C[6])(C[6]C[6a]C[6]C){1|C<4>,1|O<1>,9|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6,6a])(C[6]C[6,6a]O)(C[6a]C[6a]2)(CCHH){1|C<4>,2|H<1>,6|C<3>}	C[6,6a,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6a])(C[5a,6a,6a]C[5a,6a,6a]2)(C[6,6a]C[6,6a]C[6]){2|C<4>,8|C<3>}	109.0670	0.000	1	109.0670	0.000	1	109.0670	0.000	1	111.3563	7.135	3	119.0199	4.403	90	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a,6a]-3:C[5,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C[3x6a]-3:	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[5,6a]C[5,6a]2)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a,6a]C[5,6a])(C[6]C[6]HH)(H)2	C[6,6a,6a](C[6,6a]C[5,6a]C[6])2(C[3x6a]C[6a,6a]2)	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[5,6a]C[5,6a]2)(C[6]C[6]HH){1|C<4>,2|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[5,6a])(C[6]C[6]HH)(H)2{2|H<1>,4|C<3>}	C[6,6a,6a](C[6,6a]C[5,6a]C[6])2(C[3x6a]C[6a,6a]2){2|C<4>,4|H<1>,5|C<3>}	118.9120	0.000	1	118.9120	0.000	1	119.6135	0.984	2	119.5104	1.353	28	119.0199	4.403	90	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a,6a]-3:C[5,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C[3x6a]-3:	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[5,6a]C[5,6a]C[5])(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a,6a]C[5,6a])(C[6]C[6]HH)(H)2	C[6,6a,6a](C[6,6a]C[5,6a]C[6])2(C[3x6a]C[6a,6a]2)	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[5,6a]C[5,6a]C[5])(C[6]C[6]HH){1|C<2>,1|C<4>,1|O<2>,2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[5,6a])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6,6a,6a](C[6,6a]C[5,6a]C[6])2(C[3x6a]C[6a,6a]2){2|C<4>,4|H<1>,5|C<3>}	120.3150	0.000	1	120.3150	0.000	1	119.6135	0.984	2	119.5104	1.353	28	119.0199	4.403	90	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5a,6a,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[6,6a]C[5,6a]C[6])(C[6,6a]C[6a]C[6])	C[6,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	C[6,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[6,6a]C[5,6a]C[6])(C[6,6a]C[6a]C[6]){3|H<1>,4|C<3>,4|C<4>}	118.7910	0.000	1	118.7910	0.000	1	118.7910	0.000	1	119.5104	1.353	28	119.0199	4.403	90	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6,6a](C[6,6a,6a]C[6,6,6a]C[6a,6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6,6]HH)(H)2	C[6,6a,6a](C[6,6,6a]C[6,6a,6a]N[6,6])(C[6,6a]C[6a]C[6])(C[6a,6a]C[6a]2)	C[6,6a](C[6,6a,6a]C[6,6,6a]C[6a,6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6,6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6,6a,6a](C[6,6,6a]C[6,6a,6a]N[6,6])(C[6,6a]C[6a]C[6])(C[6a,6a]C[6a]2){2|C<4>,4|C<3>,4|H<1>}	117.5100	0.409	2	117.5100	0.167	2	117.5100	0.167	2	119.5104	1.353	28	119.0199	4.403	90	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a,6a](C[6,6a,6a]C[6,6a]2)(C[6,6a]C[6a]C[6])2	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]HH)(H)2{3|C<3>,3|H<1>}	C[6,6a,6a](C[6,6a,6a]C[6,6a]2)(C[6,6a]C[6a]C[6])2{2|C<3>,3|C<4>,6|H<1>}	119.4805	0.247	2	119.4805	0.061	2	119.4805	0.061	2	119.5104	1.353	28	119.0199	4.403	90	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6a,6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6,6a]HH)(H)2	C[6,6a,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6a]C[6])(C[6a,6a]C[6a]2)	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6a,6a])(C[6a]C[6a]H)(C[6]C[6]HH){3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6,6a]HH)(H)2{1|H<1>,4|C<3>}	C[6,6a,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6a]C[6])(C[6a,6a]C[6a]2){1|C<4>,4|H<1>,5|C<3>}	118.1887	0.593	3	118.1887	0.352	3	118.1887	0.352	3	119.5104	1.353	28	119.0199	4.403	90	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]CC)(H)2	C[6,6a,6a](C[6,6a]C[6a]C[6])2(C[6a,6a]C[6a]2)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,1|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]CC)(H)2{3|C<3>,3|H<1>}	C[6,6a,6a](C[6,6a]C[6a]C[6])2(C[6a,6a]C[6a]2){1|C<4>,2|C<3>,8|H<1>}	119.6100	0.277	2	119.6100	0.077	2	119.9996	2.159	5	119.5104	1.353	28	119.0199	4.403	90	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a,6a](C[6,6a]C[6a]C[6])2(C[6a,6a]C[6a]2)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]HH)(H)2{2|H<1>,4|C<3>}	C[6,6a,6a](C[6,6a]C[6a]C[6])2(C[6a,6a]C[6a]2){1|C<4>,1|O<2>,3|C<3>,6|H<1>}	118.3490	0.000	1	118.3490	0.000	1	119.9996	2.159	5	119.5104	1.353	28	119.0199	4.403	90	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]P[6]CC)(H)2	C[6,6a,6a](C[6,6a]C[6a]C[6])(C[6,6a]C[6a]P[6])(C[6a,6a]C[6a]2)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|H<1>,1|P<4>,2|C<4>,3|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]P[6]CC)(H)2{1|Pt<4>,1|C<4>,1|H<1>,3|C<3>}	C[6,6a,6a](C[6,6a]C[6a]C[6])(C[6,6a]C[6a]P[6])(C[6a,6a]C[6a]2){1|Pt<4>,2|C<3>,3|C<4>,5|H<1>}	122.3500	0.000	1	122.3500	0.000	1	119.9996	2.159	5	119.5104	1.353	28	119.0199	4.403	90	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]O)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a,6a](C[6,6a]C[6a]C[6])2(C[6a,6a]C[6a]2)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]O)(C[6]C[6]HH){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,4|C<3>}	C[6,6a,6a](C[6,6a]C[6a]C[6])2(C[6a,6a]C[6a]2){1|C<4>,2|O<2>,3|C<3>,5|H<1>}	120.0790	0.000	1	120.0790	0.000	1	119.9996	2.159	5	119.5104	1.353	28	119.0199	4.403	90	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:N[6,6a]-3:C[6a,6a]-3:	C[6,6a](C[6,6a,6a]C[6a,6a]N[6,6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a,6a](C[6,6a]C[6a]C[6])(N[6,6a]C[6a]C[6])(C[6a,6a]C[6a]2)	C[6,6a](C[6,6a,6a]C[6a,6a]N[6,6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,3|H<1>}	C[6,6a,6a](C[6,6a]C[6a]C[6])(N[6,6a]C[6a]C[6])(C[6a,6a]C[6a]2){1|C<4>,1|O<1>,3|C<3>,6|H<1>}	120.4880	0.000	1	120.4880	0.000	1	120.5550	0.009	2	119.5104	1.353	28	119.0199	4.403	90	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:N[6,6a]-3:C[6a,6a]-3:	C[6,6a](C[6,6a,6a]C[6a,6a]N[6,6a])(C[6a]C[6a]N[6])(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]CH)(H)2	C[6,6a,6a](C[6,6a]C[6a]C[6])(N[6,6a]C[6a]C[6])(C[6a,6a]C[6a]2)	C[6,6a](C[6,6a,6a]C[6a,6a]N[6,6a])(C[6a]C[6a]N[6])(C[6]C[6]HH){1|F<1>,1|H<1>,3|C<3>,4|C<4>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]CH)(H)2{1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[6,6a,6a](C[6,6a]C[6a]C[6])(N[6,6a]C[6a]C[6])(C[6a,6a]C[6a]2){1|N<3>,1|O<1>,2|C<3>,2|C<4>,5|H<1>}	120.6220	0.000	1	120.6220	0.000	1	120.5550	0.009	2	119.5104	1.353	28	119.0199	4.403	90	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6a,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[5,6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]HH)(H)2	C[6,6a,6a](C[6a,6a]C[6a,6a]C[5,6a])(C[6,6a]C[6a]C[6])(C[6,6a]C[6a]N[6])	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[5,6a]H)(C[6]C[6]HH){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]HH)(H)2{1|H<1>,4|C<3>}	C[6,6a,6a](C[6a,6a]C[6a,6a]C[5,6a])(C[6,6a]C[6a]C[6])(C[6,6a]C[6a]N[6]){1|C<4>,1|O<2>,3|H<1>,5|C<3>}	120.0690	0.400	2	120.0690	0.160	2	119.4981	0.554	7	119.5104	1.353	28	119.0199	4.403	90	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6a,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])2	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]HH){3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,3|C<3>}	C[6,6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])2{1|O<1>,2|C<4>,3|C<3>,4|H<1>}	119.6690	0.000	1	119.6690	0.000	1	119.4981	0.554	7	119.5104	1.353	28	119.0199	4.403	90	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6a,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]HH)(H)2	C[6,6a,6a](C[6a,6a]C[5,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6,6a]C[6a]N[6])	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6,6a,6a](C[6a,6a]C[5,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6,6a]C[6a]N[6]){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	118.5160	0.000	1	119.1700	0.683	4	119.4981	0.554	7	119.5104	1.353	28	119.0199	4.403	90	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6a,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]HH)(H)2	C[6,6a,6a](C[6a,6a]C[5,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6,6a]C[6a]N[6])	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]HH)(H)2{1|H<1>,4|C<3>}	C[6,6a,6a](C[6a,6a]C[5,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6,6a]C[6a]N[6]){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	119.0645	0.923	2	119.1700	0.683	4	119.4981	0.554	7	119.5104	1.353	28	119.0199	4.403	90	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6a,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]HH)(H)2	C[6,6a,6a](C[6a,6a]C[5,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6,6a]C[6a]N[6])	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]HH)(H)2{1|H<1>,4|C<3>}	C[6,6a,6a](C[6a,6a]C[5,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6,6a]C[6a]N[6]){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	120.0350	0.000	1	119.1700	0.683	4	119.4981	0.554	7	119.5104	1.353	28	119.0199	4.403	90	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6a,6a]-3:C[6,6a]-3:N[6,6a]-3:	C[6,6a](C[6,6a,6a]C[6a,6a]N[6,6a])(C[6a]C[5a,6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6,6a]C[6a]C[6])	C[6,6a](C[6,6a,6a]C[6a,6a]N[6,6a])(C[6a]C[5a,6a]H)(C[6]C[6]HH){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,3|H<1>}	C[6,6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6,6a]C[6a]C[6]){1|C<4>,1|O<1>,3|C<3>,6|H<1>}	119.8870	0.000	1	119.8870	0.000	1	120.5330	0.434	4	119.5104	1.353	28	119.0199	4.403	90	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6a,6a]-3:C[6,6a]-3:N[6,6a]-3:	C[6,6a](C[6,6a,6a]C[6a,6a]N[6,6a])(C[6a]C[6a,6a]Cl)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a,6a](C[6a,6a]C[6a,6a]2)(C[6,6a]C[6a]C[6])(N[6,6a]C[6a]C[6])	C[6,6a](C[6,6a,6a]C[6a,6a]N[6,6a])(C[6a]C[6a,6a]Cl)(C[6]C[6]HH){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]HH)(H)2{1|Cl<1>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a,6a](C[6a,6a]C[6a,6a]2)(C[6,6a]C[6a]C[6])(N[6,6a]C[6a]C[6]){1|Cl<1>,1|C<4>,1|O<1>,4|C<3>,4|H<1>}	120.0670	0.000	1	120.0670	0.000	1	120.5330	0.434	4	119.5104	1.353	28	119.0199	4.403	90	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6a,6a]-3:C[6,6a]-3:N[6,6a]-3:	C[6,6a](C[6,6a,6a]C[6a,6a]N[6,6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6,6a]C[6a]C[6])	C[6,6a](C[6,6a,6a]C[6a,6a]N[6,6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,3|H<1>}	C[6,6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6,6a]C[6a]C[6]){1|C<4>,1|O<1>,3|C<3>,6|H<1>}	121.0890	0.225	2	121.0890	0.051	2	120.5330	0.434	4	119.5104	1.353	28	119.0199	4.403	90	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a,6a]	3:3:4:	3:4:2:1:	3:3:3:	C[6,6a,6a]-3:C[6a,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a,6a]C[6a,6a])(C[6]C[6,6a]CH)(OH)(H)	C[6,6a,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6a,6a]C[6])(C[6a,6a]C[6a]O[6a])	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6]C[6]HO){1|C<4>,1|H<1>,2|O<2>,5|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a,6a])(C[6]C[6,6a]CH)(OH)(H){5|C<3>}	C[6,6a,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6a,6a]C[6])(C[6a,6a]C[6a]O[6a]){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	117.8190	0.000	1	117.8190	0.000	1	117.8190	0.000	1	117.0713	0.492	6	119.0199	4.403	90	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a,6a]	3:3:4:	3:4:2:1:	3:3:3:	C[6,6a,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6a,6a])(C[6a]C[6a]H)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6,6a]CH)(OH)(H)	C[6,6a,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6a]C[6])(C[6a,6a]C[6a]2)	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6a,6a])(C[6a]C[6a]H)(C[6]C[6]HO){1|H<1>,2|C<4>,4|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6,6a]CH)(OH)(H){1|H<1>,4|C<3>}	C[6,6a,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6a]C[6])(C[6a,6a]C[6a]2){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	117.1880	0.619	2	117.1880	0.384	2	117.0487	0.489	4	117.0713	0.492	6	119.0199	4.403	90	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a,6a]	3:3:4:	3:4:2:1:	3:3:3:	C[6,6a,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6a,6a])(C[6a]C[6a]H)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6,6a]CO)(OC)(H)	C[6,6a,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6a]C[6])(C[6a,6a]C[6a]2)	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6a,6a])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6,6a]CO)(OC)(H){1|H<1>,4|C<3>}	C[6,6a,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6a]C[6])(C[6a,6a]C[6a]2){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	116.2000	0.000	1	116.2000	0.000	1	117.0487	0.489	4	117.0713	0.492	6	119.0199	4.403	90	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a,6a]	3:3:4:	3:4:2:1:	3:3:3:	C[6,6a,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6a,6a])(C[6a]C[6a]H)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6,6a]HO)(OH)(H)	C[6,6a,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6a]C[6])(C[6a,6a]C[6a]2)	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6a,6a])(C[6a]C[6a]H)(C[6]C[6]HO){1|O<2>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6,6a]HO)(OH)(H){1|H<1>,4|C<3>}	C[6,6a,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6a]C[6])(C[6a,6a]C[6a]2){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	117.6190	0.000	1	117.6190	0.000	1	117.0487	0.489	4	117.0713	0.492	6	119.0199	4.403	90	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a,6a]	3:3:4:	3:4:2:1:	3:3:3:	C[6,6a,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a,6a]-3:C[6a,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6a,6a])(C[6a]C[6a,6a]H)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6,6a]HO)(OH)(H)	C[6,6a,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6a,6a])(C[6a]C[6a,6a]H)(C[6]C[6]HO){1|H<1>,1|O<2>,5|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6,6a]HO)(OH)(H){1|H<1>,4|C<3>}	C[6,6a,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6]){1|C<4>,1|O<2>,3|H<1>,5|C<3>}	116.4140	0.000	1	116.4140	0.000	1	116.4140	0.000	1	117.0713	0.492	6	119.0199	4.403	90	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a,6a]	3:3:4:	3:4:3:1:	3:3:3:	C[6,6a,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]2H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6,6a]C[6]H)(C[6]C[6]C)(H)	C[6,6a,6a](C[6,6a]C[6a]C[6])2(C[6a,6a]C[6a]2)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]2H){1|H<1>,2|C<4>,6|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6,6a]C[6]H)(C[6]C[6]C)(H){1|C<4>,2|H<1>,6|C<3>}	C[6,6a,6a](C[6,6a]C[6a]C[6])2(C[6a,6a]C[6a]2){1|C<4>,3|C<3>,6|H<1>}	120.1502	0.591	4	120.1502	0.350	4	120.1502	0.350	4	120.1502	0.350	4	119.0199	4.403	90	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a,6a]	3:3:4:	3:4:4:1:	3:3:3:	C[6,6a,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6a,6a])(C[6a]C[6a]C)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6,6a]HO)(CCHH)(H)	C[6,6a,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6a]C[6])(C[6a,6a]C[6a]2)	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6a,6a])(C[6a]C[6a]C)(C[6]C[6]CH){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6,6a]HO)(CCHH)(H){5|C<3>}	C[6,6a,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6a]C[6])(C[6a,6a]C[6a]2){2|C<4>,3|H<1>,5|C<3>}	117.3785	0.479	2	117.3785	0.229	2	118.2290	2.285	3	119.7010	5.924	5	119.0199	4.403	90	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a,6a]	3:3:4:	3:4:4:1:	3:3:3:	C[6,6a,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6a,6a])(C[6a]C[6a]O)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6,6a]HO)(CH3)(H)	C[6,6a,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6a]C[6])(C[6a,6a]C[6a]2)	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6a,6a])(C[6a]C[6a]O)(C[6]C[6]CH){1|O<2>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6,6a]HO)(CH3)(H){1|O<2>,4|C<3>}	C[6,6a,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6a]C[6])(C[6a,6a]C[6a]2){1|H<1>,1|O<1>,2|C<4>,3|C<3>,3|O<2>}	119.9300	0.000	1	119.9300	0.000	1	118.2290	2.285	3	119.7010	5.924	5	119.0199	4.403	90	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a,6a]	3:3:4:	3:4:4:1:	3:3:3:	C[6,6a,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]Si[6]CH)(CCHH)(H)	C[6,6a,6a](C[6,6a]C[6a]Si[6])(C[6,6a]C[6a]C[6])(C[6a,6a]C[6a]2)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]CH){1|Si<4>,1|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]Si[6]CH)(CCHH)(H){1|H<1>,2|C<4>,3|C<3>}	C[6,6a,6a](C[6,6a]C[6a]Si[6])(C[6,6a]C[6a]C[6])(C[6a,6a]C[6a]2){2|C<3>,4|C<4>,5|H<1>}	121.9090	1.696	2	121.9090	2.875	2	121.9090	2.875	2	119.7010	5.924	5	119.0199	4.403	90	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a,6a]	3:3:4:	3:4:4:2:	3:3:3:	C[6,6a,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:O-2:	C[6,6a,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6a,6a])(C[6a]C[6a]H)(C[6]C[6]CO)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6,6a]HO)(CCHH)(OH)	C[6,6a,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6a]C[6])(C[6a,6a]C[6a]2)	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6a,6a])(C[6a]C[6a]H)(C[6]C[6]CO){1|O<2>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6,6a]HO)(CCHH)(OH){1|H<1>,4|C<3>}	C[6,6a,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6a]C[6])(C[6a,6a]C[6a]2){1|O<2>,2|C<4>,3|H<1>,4|C<3>}	119.7340	0.000	1	119.7340	0.000	1	119.7340	0.000	1	119.7340	0.000	1	119.0199	4.403	90	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a,6a]	3:3:4:	3:4:4:4:	3:3:3:	C[6,6a,6a]-3:C[5,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[5a,6a,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6a])(C[5,6a]C[5,6a,6a]C[5])(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a,6a]C[5,6a])(C[6]C[6]HH)(CH3)2	C[6,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[6,6a]C[5,6a]C[6])(C[6,6a]C[6a]C[6])	C[6,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6a])(C[5,6a]C[5,6a,6a]C[5])(C[6]C[6]CC){1|C<4>,4|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[5,6a])(C[6]C[6]HH)(CH3)2{1|C<4>,2|H<1>,3|C<3>}	C[6,6a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[6,6a]C[5,6a]C[6])(C[6,6a]C[6a]C[6]){3|H<1>,4|C<3>,4|C<4>}	114.8380	0.000	1	114.8380	0.000	1	114.8380	0.000	1	114.8380	0.000	1	119.0199	4.403	90	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a,6a]	3:4:2:	3:3:2:1:	3:3:3:	C[6,6a,6a]-3:C[6]-4:N[6a]-2:	C[6,6a]-3:C[6,6a]-3:S-2:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]HS)(N[6a]O[6a])	C[6](C[6,6a]C[6,6a,6a]N[6a])(C[6,6a]C[6,6a]C[6a])(SC)(H)	C[6,6a,6a](C[6,6a]C[5,6a]C[6,6a])(C[6,6a]N[6a]C[6])(C[6a,6a]C[6a]2)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]HS)(N[6a]O[6a]){5|C<3>}	C[6](C[6,6a]C[6,6a,6a]N[6a])(C[6,6a]C[6,6a]C[6a])(SC)(H){2|O<2>,4|C<3>}	C[6,6a,6a](C[6,6a]C[5,6a]C[6,6a])(C[6,6a]N[6a]C[6])(C[6a,6a]C[6a]2){1|O<1>,1|S<2>,2|H<1>,2|O<2>,3|C<3>}	119.0910	0.000	1	119.0910	0.000	1	119.0910	0.000	1	119.0910	0.000	1	119.0199	4.403	90	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a,6a]	3:4:2:	3:3:3:4:	3:3:3:	C[6,6a,6a]-3:C[6]-4:N[6a]-2:	C[6,6a]-3:C[6a]-3:C[6]-3:C-4:	C[6a,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6]C[6a]C[6]C)(N[6a]C[6a,6a])	C[6](C[6,6a]C[6,6a,6a]N[6a])(C[6a]C[6a]2)(C[6]N[6]O)(CCHH)	C[6,6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]N[6])(C[6,6a]N[6a]C[6])	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6]C[6a]C[6]C)(N[6a]C[6a,6a]){1|N<3>,1|O<1>,6|C<3>}	C[6](C[6,6a]C[6,6a,6a]N[6a])(C[6a]C[6a]2)(C[6]N[6]O)(CCHH){1|C<4>,2|H<1>,5|C<3>}	C[6,6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]N[6])(C[6,6a]N[6a]C[6]){2|C<4>,2|H<1>,5|C<3>}	118.2780	0.000	1	118.2780	0.000	1	118.2780	0.000	1	118.2780	0.000	1	119.0199	4.403	90	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a,6a]	3:4:2:	3:4:1:1:	3:3:3:	C[6,6a,6a]-3:C[6]-4:N[6a]-2:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6,6a])(C[6]C[6]HH)(N[6a]N[6a])	C[6](C[6,6a]C[6,6a,6a]N[6a])(C[6]C[6]CC)(H)2	C[6,6a,6a](C[6,6a,6a]C[6,6a]2)(C[6,6a]N[6a]C[6])2	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6,6a])(C[6]C[6]HH)(N[6a]N[6a]){1|N<2>,2|C<3>,3|C<4>}	C[6](C[6,6a]C[6,6a,6a]N[6a])(C[6]C[6]CC)(H)2{1|N<2>,2|C<3>,2|H<1>}	C[6,6a,6a](C[6,6a,6a]C[6,6a]2)(C[6,6a]N[6a]C[6])2{2|N<2>,3|C<4>,4|H<1>}	118.4243	0.277	8	118.4243	0.077	8	118.4610	0.142	14	118.4281	0.148	15	119.0199	4.403	90	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a,6a]	3:4:2:	3:4:1:1:	3:3:3:	C[6,6a,6a]-3:C[6]-4:N[6a]-2:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6,6a])(C[6]C[6]HH)(N[6a]N[6a])	C[6](C[6,6a]C[6,6a,6a]N[6a])(C[6]C[6]HH)(H)2	C[6,6a,6a](C[6,6a,6a]C[6,6a]2)(C[6,6a]N[6a]C[6])2	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6,6a])(C[6]C[6]HH)(N[6a]N[6a]){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a,6a]N[6a])(C[6]C[6]HH)(H)2{1|N<2>,2|C<3>,2|H<1>}	C[6,6a,6a](C[6,6a,6a]C[6,6a]2)(C[6,6a]N[6a]C[6])2{2|N<2>,3|C<4>,4|H<1>}	118.5100	0.508	6	118.5100	0.258	6	118.4610	0.142	14	118.4281	0.148	15	119.0199	4.403	90	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a,6a]	3:4:2:	3:4:1:1:	3:3:3:	C[6,6a,6a]-3:C[6]-4:N[6a]-2:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)(N[6a]C[6a])	C[6](C[6,6a]C[6,6a,6a]N[6a])(C[6]O[6]HH)(H)2	C[6,6a,6a](C[6,6a]C[6a]O[6])(C[6,6a]N[6a]C[6])(C[6a,6a]C[6a]2)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)(N[6a]C[6a]){1|O<2>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a,6a]N[6a])(C[6]O[6]HH)(H)2{3|C<3>}	C[6,6a,6a](C[6,6a]C[6a]O[6])(C[6,6a]N[6a]C[6])(C[6a,6a]C[6a]2){2|C<3>,2|C<4>,4|H<1>}	117.9670	0.000	1	117.9670	0.000	1	117.9670	0.000	1	118.4281	0.148	15	119.0199	4.403	90	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a,6a]	3:4:3:	3:3:2:1:	3:3:3:	C[6,6a,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[6]-3:O[6]-2:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6]N[6]O[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]2)(O[6]C[6])(H)	C[6,6a,6a](C[6,6a]C[6a]C[6])2(C[6a,6a]C[6a]2)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6]N[6]O[6]H)(C[6a]C[6a]H){1|H<1>,2|C<4>,4|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]2)(O[6]C[6])(H){1|O<1>,2|C<4>,3|C<3>,5|H<1>}	C[6,6a,6a](C[6,6a]C[6a]C[6])2(C[6a,6a]C[6a]2){1|N<3>,1|O<1>,1|O<2>,2|C<3>,5|H<1>}	118.6720	0.000	1	118.6720	0.000	1	118.6720	0.000	1	118.6720	0.000	1	119.0199	4.403	90	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a,6a]	3:4:3:	3:3:3:1:	3:3:3:	C[6,6a,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a])(C[6]C[6,6a]C[6a]H)(C[6a]C[6a,6a]H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H)	C[6,6a,6a](C[5,6a,6a]C[5,6a,6a]2)(C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])	C[6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a])(C[6]C[6,6a]C[6a]H)(C[6a]C[6a,6a]H){8|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H){2|C<4>,2|H<1>,7|C<3>}	C[6,6a,6a](C[5,6a,6a]C[5,6a,6a]2)(C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6]){1|O<2>,2|H<1>,7|C<3>}	118.7310	0.000	1	118.7310	0.000	1	118.7310	0.000	1	119.7684	2.556	5	119.0199	4.403	90	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a,6a]	3:4:3:	3:3:3:1:	3:3:3:	C[6,6a,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6]C[6]C)(H)	C[6,6a,6a](C[6,6a]C[6a]C[6])2(C[6a,6a]C[6a]2)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]O){1|H<1>,7|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6]C[6]C)(H){1|O<2>,2|H<1>,6|C<3>}	C[6,6a,6a](C[6,6a]C[6a]C[6])2(C[6a,6a]C[6a]2){2|O<2>,4|C<3>,4|H<1>}	122.2900	0.000	1	122.2900	0.000	1	122.2900	0.000	1	119.7684	2.556	5	119.0199	4.403	90	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a,6a]	3:4:3:	3:3:3:1:	3:3:3:	C[6,6a,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6]C[6a]N[6]H)(C[6a]C[6a]C)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]O)(H)	C[6,6a,6a](C[6,6a]C[6a]C[6])2(C[6a,6a]C[6a]2)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6]C[6a]N[6]H)(C[6a]C[6a]C){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]O)(H){1|H<1>,3|C<4>,6|C<3>}	C[6,6a,6a](C[6,6a]C[6a]C[6])2(C[6a,6a]C[6a]2){1|N<3>,2|C<4>,4|C<3>,4|H<1>}	118.9470	1.189	2	118.9470	1.415	2	118.9470	1.415	2	119.7684	2.556	5	119.0199	4.403	90	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a,6a]	3:4:3:	3:3:3:1:	3:3:3:	C[6,6a,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[5,6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6]N[5,6]C[6a]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H)	C[6,6a,6a](C[6,6a]C[5,6]C[6a])(C[6,6a]C[6a]C[6])(C[6a,6a]C[6a]2)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6]N[5,6]C[6a]H)(C[6a]C[6a]H){1|C<4>,1|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H){1|O<1>,2|C<4>,4|H<1>,5|C<3>}	C[6,6a,6a](C[6,6a]C[5,6]C[6a])(C[6,6a]C[6a]C[6])(C[6a,6a]C[6a]2){1|C<4>,1|N<3>,3|C<3>,6|H<1>}	119.9270	0.000	1	119.9270	0.000	1	119.9270	0.000	1	119.7684	2.556	5	119.0199	4.403	90	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a,6a]	3:4:3:	3:3:3:2:	3:3:3:	C[6,6a,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:O-2:	C[6,6a,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6a,6a])(C[6]C[6,6a]C[6a]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a,6a]C[6a])2(C[6a]C[6a]2)(OH)	C[6,6a,6a](C[6,6a,6a]C[6,6a,6a]C[3x6a])(C[6,6a]C[6a]C[6])(C[6a,6a]C[6a]2)	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6a,6a])(C[6]C[6,6a]C[6a]O)(C[6a]C[6a]H){8|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])2(C[6a]C[6a]2)(OH){4|H<1>,7|C<3>}	C[6,6a,6a](C[6,6a,6a]C[6,6a,6a]C[3x6a])(C[6,6a]C[6a]C[6])(C[6a,6a]C[6a]2){1|O<2>,2|H<1>,7|C<3>}	120.0610	0.000	1	120.0610	0.000	1	120.0610	0.000	1	120.2075	0.043	2	119.0199	4.403	90	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a,6a]	3:4:3:	3:3:3:2:	3:3:3:	C[6,6a,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:O-2:	C[6,6a,6a]-3:C[6a,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6a,6a])(C[6]C[6,6a]C[6a]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a,6a]C[6a])2(C[6a]C[6a]2)(OH)	C[6,6a,6a](C[6,6a,6a]C[6,6a,6a]C[3x6a])(C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6a,6a])(C[6]C[6,6a]C[6a]O)(C[6a]C[6a]H){1|H<1>,7|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])2(C[6a]C[6a]2)(OH){4|H<1>,7|C<3>}	C[6,6a,6a](C[6,6a,6a]C[6,6a,6a]C[3x6a])(C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6]){1|O<2>,2|H<1>,7|C<3>}	120.3540	0.000	1	120.3540	0.000	1	120.3540	0.000	1	120.2075	0.043	2	119.0199	4.403	90	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a,6a]	3:4:3:	3:3:4:1:	3:3:3:	C[6,6a,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6,6a,6a](C[6,6a]C[6a]C[6])2(C[6a,6a]C[6a]2)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]O){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<2>,4|H<1>,5|C<3>}	C[6,6a,6a](C[6,6a]C[6a]C[6])2(C[6a,6a]C[6a]2){1|C<4>,1|O<2>,3|C<3>,6|H<1>}	121.5470	0.000	1	120.8260	1.040	2	120.8260	1.040	2	120.8260	1.040	2	119.0199	4.403	90	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a,6a]	3:4:3:	3:3:4:1:	3:3:3:	C[6,6a,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6,6a,6a](C[6,6a]C[6a]C[6])2(C[6a,6a]C[6a]2)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]O){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<2>,4|H<1>,5|C<3>}	C[6,6a,6a](C[6,6a]C[6a]C[6])2(C[6a,6a]C[6a]2){1|C<4>,2|O<2>,3|C<3>,5|H<1>}	120.1050	0.000	1	120.8260	1.040	2	120.8260	1.040	2	120.8260	1.040	2	119.0199	4.403	90	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a,6a]	3:4:3:	3:3:4:4:	3:3:3:	C[6,6a,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	B[6,6,6a]-3:C[5a,6a,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6a,6a]C[5a,6a,6a]B[6,6,6a])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6,6a]C[6a])(CH3)2	C[6,6a,6a](B[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[5a,6a,6a]C[5a,6a]N[5a,6a])(C[6,6a]C[6a]C[6])	C[6,6a](C[6,6a,6a]C[5a,6a,6a]B[6,6,6a])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|H<1>,1|N<3>,4|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6,6a]C[6a])(CH3)2{1|B<3>,2|H<1>,4|C<3>}	C[6,6a,6a](B[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[5a,6a,6a]C[5a,6a]N[5a,6a])(C[6,6a]C[6a]C[6]){1|H<1>,2|C<4>,7|C<3>}	119.4470	0.000	1	119.4470	0.000	1	119.4470	0.000	1	120.9636	0.674	9	119.0199	4.403	90	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a,6a]	3:4:3:	3:3:4:4:	3:3:3:	C[6,6a,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	B[6,6,6a]-3:C[6a,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6a,6a]B[6,6,6a]C[6a,6a])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6,6a]C[6a])(CH3)2	C[6,6a,6a](B[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[6a,6a]C[6a]N[6a])(C[6,6a]C[6a]C[6])	C[6,6a](C[6,6a,6a]B[6,6,6a]C[6a,6a])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|H<1>,1|N<3>,4|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6,6a]C[6a])(CH3)2{1|B<3>,2|H<1>,4|C<3>}	C[6,6a,6a](B[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[6a,6a]C[6a]N[6a])(C[6,6a]C[6a]C[6]){2|C<4>,2|H<1>,6|C<3>}	121.2555	0.250	4	121.2555	0.062	4	121.3574	0.099	5	120.9636	0.674	9	119.0199	4.403	90	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a,6a]	3:4:3:	3:3:4:4:	3:3:3:	C[6,6a,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	B[6,6,6a]-3:C[6a,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6a,6a]B[6,6,6a]C[6a,6a])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6,6a]C[6a])(CH3)2	C[6,6a,6a](B[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[6a,6a]N[5a,6a]C[6a])(C[6,6a]C[6a]C[6])	C[6,6a](C[6,6a,6a]B[6,6,6a]C[6a,6a])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|H<1>,1|N<3>,4|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6,6a]C[6a])(CH3)2{1|B<3>,2|H<1>,4|C<3>}	C[6,6a,6a](B[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[6a,6a]N[5a,6a]C[6a])(C[6,6a]C[6a]C[6]){2|C<4>,2|H<1>,6|C<3>}	121.7650	0.000	1	121.7650	0.000	1	121.3574	0.099	5	120.9636	0.674	9	119.0199	4.403	90	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a,6a]	3:4:3:	3:3:4:4:	3:3:3:	C[6,6a,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6,6a]-3:C[6,6a]-3:C[6a,6a]-3:	C[6,6a](C[6,6a,6a]C[6,6,6a]C[6a,6a])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6,6a]C[6a])(CH3)2	C[6,6a,6a](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[6,6a]C[6a]C[6])(C[6a,6a]C[6a]2)	C[6,6a](C[6,6a,6a]C[6,6,6a]C[6a,6a])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6,6a]C[6a])(CH3)2{2|H<1>,5|C<3>}	C[6,6a,6a](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[6,6a]C[6a]C[6])(C[6a,6a]C[6a]2){2|C<4>,3|H<1>,5|C<3>}	121.5180	0.000	1	121.5180	0.000	1	121.5180	0.000	1	120.9636	0.674	9	119.0199	4.403	90	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a,6a]	3:4:3:	3:3:4:4:	3:3:3:	C[6,6a,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6,6a]-3:C[6a,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6a,6a]C[6,6,6a]C[6a,6a])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6,6a]C[6a])(CH3)2	C[6,6a,6a](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[6a,6a]C[6a]N[6a])(C[6,6a]C[6a]C[6])	C[6,6a](C[6,6a,6a]C[6,6,6a]C[6a,6a])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|H<1>,1|N<3>,4|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6,6a]C[6a])(CH3)2{2|H<1>,5|C<3>}	C[6,6a,6a](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[6a,6a]C[6a]N[6a])(C[6,6a]C[6a]C[6]){2|H<1>,3|C<4>,5|C<3>}	119.7170	0.000	1	119.7170	0.000	1	120.4600	1.104	2	120.9636	0.674	9	119.0199	4.403	90	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a,6a]	3:4:3:	3:3:4:4:	3:3:3:	C[6,6a,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6,6a]-3:C[6a,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6a,6a]C[6,6,6a]C[6a,6a])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6,6a]C[6a])(CH3)2	C[6,6a,6a](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[6a,6a]C[6a]O[6a])(C[6,6a]C[6a]C[6])	C[6,6a](C[6,6a,6a]C[6,6,6a]C[6a,6a])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|H<1>,1|O<2>,4|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6,6a]C[6a])(CH3)2{2|H<1>,5|C<3>}	C[6,6a,6a](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[6a,6a]C[6a]O[6a])(C[6,6a]C[6a]C[6]){2|C<4>,2|H<1>,5|C<3>}	121.2030	0.000	1	121.2030	0.000	1	120.4600	1.104	2	120.9636	0.674	9	119.0199	4.403	90	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:2:4:	3:4:1:1:	3:2:4:	C[6,6a]-3:N[6a]-2:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:N[6a]-2:C[6]-4:	C[6,6a](C[6,6a]N[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]N[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]HH)	C[6,6a](C[6,6a]N[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6,6a](C[6,6a]N[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	120.9193	0.161	3	120.9193	0.026	3	120.9193	0.026	3	120.9193	0.026	3	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:2:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:N[6a]-2:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(N[6a]C[6a,6a])(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]N[5,6]HH)(H)2	C[6,6a](C[5,6]N[5,6]C[5])(C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]C)	C[6,6a](C[6,6a]C[5,6]C[6a])(N[6a]C[6a,6a])(C[6]C[6]HH){1|C<2>,1|N<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]N[5,6]HH)(H)2{1|C<4>,4|C<3>}	C[6,6a](C[5,6]N[5,6]C[5])(C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]C){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	119.5507	0.237	3	119.5507	0.056	3	119.5507	0.056	3	120.2861	2.620	47	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:2:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:N[6a]-2:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5a,6]C[6a])(N[6a]C[6a,6a])(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]N[5a,6]HH)(H)2	C[6,6a](C[5a,6]N[5a,6]C[5a])(C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]C)	C[6,6a](C[6,6a]C[5a,6]C[6a])(N[6a]C[6a,6a])(C[6]C[6]HH){1|C<2>,1|N<3>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]N[5a,6]HH)(H)2{4|C<3>}	C[6,6a](C[5a,6]N[5a,6]C[5a])(C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]C){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	118.4160	0.000	1	118.4160	0.000	1	118.4160	0.000	1	120.2861	2.620	47	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:2:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:N[6a]-2:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(N[6a]C[6,6a])(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6,6]HH)(H)2	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]N[6a]C[6])(C[6a]C[6,6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(N[6a]C[6,6a])(C[6]C[6]HH){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6,6]HH)(H)2{2|C<4>,3|C<3>}	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]N[6a]C[6])(C[6a]C[6,6a]H){2|C<3>,3|H<1>,4|C<4>}	121.4880	0.181	2	121.4880	0.033	2	121.4880	0.033	2	120.2861	2.620	47	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:2:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:N[6a]-2:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[6a]C[5a,6a])(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6,6a]HH)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]N[6a]C[6])(C[6a]C[5a,6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[6a]C[5a,6a])(C[6]C[6]HH){1|N<3>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6,6a]HH)(H)2{4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]N[6a]C[6])(C[6a]C[5a,6a]H){1|C<4>,3|H<1>,4|C<3>}	119.4110	0.000	1	119.4110	0.000	1	118.8640	0.598	2	120.2861	2.620	47	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:2:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:N[6a]-2:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[6a]C[6a,6a])(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6,6a]HH)(H)2	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[6a]C[6a,6a])(C[6]C[6]HH){1|N<2>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6,6a]HH)(H)2{4|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]H){1|C<4>,2|H<1>,4|C<3>}	118.3170	0.000	1	118.3170	0.000	1	118.8640	0.598	2	120.2861	2.620	47	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:2:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:N[6a]-2:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6,6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[6a]C[5a,6a])(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6,6a]HH)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[5a,6a]C[6a])(C[6,6a]N[6a]C[6])	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[6a]C[5a,6a])(C[6]C[6]HH){1|N<3>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6,6a]HH)(H)2{4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[5a,6a]C[6a])(C[6,6a]N[6a]C[6]){1|C<4>,3|H<1>,6|C<3>}	118.7601	0.337	8	118.7601	0.113	8	118.8948	0.169	10	120.2861	2.620	47	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:2:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:N[6a]-2:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6,6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[6a]C[6a,6a])(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6,6a]HH)(H)2	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a,6a]C[6a])(C[6,6a]N[6a]C[6])	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[6a]C[6a,6a])(C[6]C[6]HH){1|N<2>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6,6a]HH)(H)2{4|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a,6a]C[6a])(C[6,6a]N[6a]C[6]){1|C<4>,2|H<1>,6|C<3>}	119.4335	0.021	2	119.4335	0.000	2	118.8948	0.169	10	120.2861	2.620	47	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:2:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:N[6a]-2:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[5a,6a])(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[5,6]HH)(H)2	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[5a,6a]H)(C[6]C[5,6]O)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[5a,6a])(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[5,6]HH)(H)2{2|C<4>,3|C<3>}	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[5a,6a]H)(C[6]C[5,6]O){2|C<3>,2|H<1>,3|C<4>}	119.3770	0.048	2	119.3770	0.002	2	120.4343	1.147	21	120.2861	2.620	47	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:2:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:N[6a]-2:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[5a,6a])(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]CC)(H)2	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[5a,6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[5a,6a])(C[6]C[6]HH){1|C<3>,1|H<1>,1|N<3>,1|O<1>,3|C<4>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]CC)(H)2{2|H<1>,3|C<3>}	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[5a,6a]H)(C[6]C[6]O){1|C<4>,2|C<3>,4|H<1>}	120.6140	0.181	5	120.6140	0.033	5	120.4343	1.147	21	120.2861	2.620	47	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:2:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:N[6a]-2:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6,6a])(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]CC)(H)2	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6,6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6,6a])(C[6]C[6]HH){1|C<3>,1|H<1>,1|O<1>,4|C<4>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]CC)(H)2{2|H<1>,3|C<3>}	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6,6a]H)(C[6]C[6]O){1|C<4>,2|C<3>,4|H<1>}	121.3980	0.069	2	121.4403	0.007	4	120.4343	1.147	21	120.2861	2.620	47	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:2:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:N[6a]-2:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6,6a])(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]CC)(H)2	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6,6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6,6a])(C[6]C[6]HH){1|H<1>,1|O<1>,2|C<3>,3|C<4>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]CC)(H)2{2|H<1>,3|C<3>}	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6,6a]H)(C[6]C[6]O){1|C<3>,2|C<4>,4|H<1>}	121.4825	0.095	2	121.4403	0.007	4	120.4343	1.147	21	120.2861	2.620	47	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:2:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:N[6a]-2:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6,6a])(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6,6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6,6a])(C[6]C[6]HH){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(H)2{2|C<4>,3|C<3>}	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6,6a]H)(C[6]C[6]O){2|C<3>,2|H<1>,3|C<4>}	120.0070	0.000	1	120.0070	0.000	1	120.4343	1.147	21	120.2861	2.620	47	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:2:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:N[6a]-2:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[5,6]HH)(H)2	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[5,6]O)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]HH){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[5,6]HH)(H)2{1|C<4>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[5,6]O){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	120.5525	0.695	2	120.5525	0.483	2	120.4343	1.147	21	120.2861	2.620	47	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:2:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:N[6a]-2:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]CC)(H)2	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]HH){1|C<3>,1|H<1>,1|N<2>,1|O<1>,3|C<4>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]CC)(H)2{2|H<1>,3|C<3>}	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6]O){1|C<4>,2|C<3>,4|H<1>}	121.3110	0.000	1	120.5717	0.336	4	120.4343	1.147	21	120.2861	2.620	47	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:2:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:N[6a]-2:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]CC)(H)2	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]HH){1|C<3>,1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]CC)(H)2{2|H<1>,3|C<3>}	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6]O){1|C<4>,2|C<3>,4|H<1>}	120.3253	0.375	3	120.5717	0.336	4	120.4343	1.147	21	120.2861	2.620	47	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:2:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:N[6a]-2:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]CC)(H)2	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]N)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]HH){1|N<3>,1|O<1>,2|C<3>,3|C<4>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]CC)(H)2{2|H<1>,3|C<3>}	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]N)(C[6]C[6]O){1|C<4>,2|C<3>,4|H<1>}	121.1780	0.000	1	121.1780	0.000	1	120.4343	1.147	21	120.2861	2.620	47	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:2:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:N[6a]-2:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]HH){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(H)2{2|H<1>,3|C<3>}	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6]O){1|C<4>,2|C<3>,4|H<1>}	120.2650	0.000	1	120.2650	0.000	1	120.4343	1.147	21	120.2861	2.620	47	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:2:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:N[6a]-2:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6a]N[6]H)(H)2	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6a]N[6])	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]HH){1|N<2>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6a]N[6]H)(H)2{5|C<3>}	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6a]N[6]){1|C<4>,2|H<1>,4|C<3>}	116.6940	0.000	1	116.6940	0.000	1	120.4343	1.147	21	120.2861	2.620	47	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:2:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:N[6a]-2:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a,6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]CC)(H)2	C[6,6a](C[6a,6a]C[3x6a]C[6a])(C[6,6a]N[6a]C[6])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a,6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]HH){1|O<1>,1|O<2>,2|C<3>,3|C<4>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]CC)(H)2{2|H<1>,3|C<3>}	C[6,6a](C[6a,6a]C[3x6a]C[6a])(C[6,6a]N[6a]C[6])(C[6]C[6]O){1|C<4>,3|C<3>,5|H<1>}	123.3940	0.000	1	123.3940	0.000	1	123.3940	0.000	1	120.2861	2.620	47	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:2:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:N[6a]-2:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]CC)(H)2	C[6,6a](C[6a]C[6a,6a]C[6a])(C[6,6a]N[6a]C[6])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]HH){1|N<3>,1|O<1>,2|C<3>,3|C<4>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]CC)(H)2{2|H<1>,3|C<3>}	C[6,6a](C[6a]C[6a,6a]C[6a])(C[6,6a]N[6a]C[6])(C[6]C[6]O){1|C<4>,4|C<3>,4|H<1>}	122.3560	0.000	1	121.3340	0.613	4	120.8350	1.704	5	120.2861	2.620	47	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:2:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:N[6a]-2:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]CC)(H)2	C[6,6a](C[6a]C[6a,6a]C[6a])(C[6,6a]N[6a]C[6])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]HH){1|O<1>,3|C<3>,3|C<4>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]CC)(H)2{2|H<1>,3|C<3>}	C[6,6a](C[6a]C[6a,6a]C[6a])(C[6,6a]N[6a]C[6])(C[6]C[6]O){1|C<4>,4|C<3>,4|H<1>}	120.9933	0.472	3	121.3340	0.613	4	120.8350	1.704	5	120.2861	2.620	47	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:2:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:N[6a]-2:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6a]C[6a,6a]C[6a])(C[6,6a]N[6a]C[6])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]HH){1|O<1>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(H)2{4|C<3>}	C[6,6a](C[6a]C[6a,6a]C[6a])(C[6,6a]N[6a]C[6])(C[6]C[6]O){1|C<4>,2|H<1>,5|C<3>}	118.8390	0.000	1	118.8390	0.000	1	120.8350	1.704	5	120.2861	2.620	47	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:2:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:O[6a]-2:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(O[6a]C[6a,6a])(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]O[6a])(C[6]C[5,6]CH)(H)2	C[6,6a](C[6,6a]O[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[5,6]O)	C[6,6a](C[6,6a]C[6a]C[6])(O[6a]C[6a,6a])(C[6]C[6]HH){1|H<1>,2|C<3>,2|C<4>,2|O<1>}	C[6](C[6,6a]C[6,6a]O[6a])(C[6]C[5,6]CH)(H)2{1|C<4>,4|C<3>}	C[6,6a](C[6,6a]O[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[5,6]O){2|C<4>,2|H<1>,3|C<3>}	125.5920	0.000	1	125.5920	0.000	1	125.0180	0.659	2	120.2861	2.620	47	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:2:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:O[6a]-2:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(O[6a]C[6a,6a])(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]O[6a])(C[6]C[6a]C[6]H)(H)2	C[6,6a](C[6,6a]O[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(O[6a]C[6a,6a])(C[6]C[6]HH){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]O[6a])(C[6]C[6a]C[6]H)(H)2{1|C<4>,1|H<1>,5|C<3>}	C[6,6a](C[6,6a]O[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6]C){2|C<3>,2|C<4>,3|H<1>}	124.4440	0.000	1	124.4440	0.000	1	125.0180	0.659	2	120.2861	2.620	47	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:2:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:N[6a]-2:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[5,6a])(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[5,6a]N)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[5,6a])(C[6]C[6]HH){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[5,6a]N)(C[6]C[6]HH){1|C<3>,2|C<4>,4|H<1>}	121.2750	0.000	1	121.2750	0.000	1	120.6677	0.515	12	121.1634	2.241	16	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:2:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:N[6a]-2:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[5a,6a])(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]N[5a,6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[5a,6a])(C[6]C[6]HH){1|C<4>,1|N<2>,1|N<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]N[5a,6a]H)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	120.3390	0.000	1	120.3390	0.000	1	120.6677	0.515	12	121.1634	2.241	16	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:2:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:N[6a]-2:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6,6a])(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6,6a]N)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6,6a])(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6,6a]N)(C[6]C[6]HH){1|C<3>,2|C<4>,4|H<1>}	121.3570	0.000	1	121.3570	0.000	1	120.6677	0.515	12	121.1634	2.241	16	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:2:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:N[6a]-2:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]C)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]HH){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]C)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	121.0115	0.070	2	121.0115	0.005	2	120.6677	0.515	12	121.1634	2.241	16	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:2:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:N[6a]-2:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]Cl)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]HH){1|Cl<1>,1|C<4>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]Cl)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	121.3970	0.000	1	121.3970	0.000	1	120.6677	0.515	12	121.1634	2.241	16	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:2:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:N[6a]-2:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]HH){1|C<4>,2|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6]HH){1|C<4>,3|C<3>,3|H<1>}	120.5560	0.100	2	120.2702	0.598	6	120.6677	0.515	12	121.1634	2.241	16	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:2:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:N[6a]-2:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]HH){1|C<4>,2|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	120.5237	0.651	3	120.2702	0.598	6	120.6677	0.515	12	121.1634	2.241	16	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:2:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:N[6a]-2:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]HH){1|C<4>,2|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6]HH){2|C<3>,2|C<4>,3|H<1>}	118.9380	0.000	1	120.2702	0.598	6	120.6677	0.515	12	121.1634	2.241	16	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:2:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:N[6a]-2:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6,6a])(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6a]C[6,6a]C[6a])(C[6,6a]N[6a]C[6])(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6,6a])(C[6]C[6]HH){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6a]C[6,6a]C[6a])(C[6,6a]N[6a]C[6])(C[6]C[6]HH){1|C<4>,4|C<3>,4|H<1>}	121.2970	0.000	1	121.2970	0.000	1	120.7915	0.511	2	121.1634	2.241	16	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:2:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:N[6a]-2:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6a]C[6a,6a]C[6a])(C[6,6a]N[6a]C[6])(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]HH){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6a]C[6a,6a]C[6a])(C[6,6a]N[6a]C[6])(C[6]C[6]HH){1|C<4>,4|C<3>,4|H<1>}	120.2860	0.000	1	120.2860	0.000	1	120.7915	0.511	2	121.1634	2.241	16	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:2:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:O[6a]-2:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(O[6a]C[6a,6a])(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]O[6a])(C[6]C[5a]O[6]H)(H)2	C[6,6a](C[6,6a]O[6a]C[6])(C[6a]C[6a,6a]O)(C[6]O[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(O[6a]C[6a,6a])(C[6]C[6]HH){1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]O[6a])(C[6]C[5a]O[6]H)(H)2{1|C<4>,4|C<3>}	C[6,6a](C[6,6a]O[6a]C[6])(C[6a]C[6a,6a]O)(C[6]O[6]HH){1|C<4>,2|C<3>,2|H<1>}	123.5560	0.000	1	123.5560	0.000	1	124.5095	1.818	2	121.1634	2.241	16	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:2:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:O[6a]-2:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(O[6a]C[6a,6a])(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]O[6a])(C[6]C[6]HO)(H)2	C[6,6a](C[6,6a]O[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6]CO)	C[6,6a](C[6,6a]C[6a]C[6])(O[6a]C[6a,6a])(C[6]C[6]HH){1|C<4>,1|H<1>,1|O<1>,2|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]O[6a])(C[6]C[6]HO)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]O[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6]CO){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	125.4630	0.000	1	125.4630	0.000	1	124.5095	1.818	2	121.1634	2.241	16	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:2:4:	3:4:1:1:	3:4:3:	C[6,6a]-3:N[6a]-2:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6a]N[6]H)(H)2	C[6,6a](C[6,6a]N[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]C[6a,6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]HH){1|N<3>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6a]N[6]H)(H)2{1|C<4>,1|N<2>,4|C<3>}	C[6,6a](C[6,6a]N[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]C[6a,6a]H){1|C<4>,1|N<2>,2|H<1>,4|C<3>}	117.6270	0.000	1	116.7757	0.570	3	116.7757	0.570	3	116.7757	0.570	3	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:2:4:	3:4:1:1:	3:4:3:	C[6,6a]-3:N[6a]-2:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6a]N[6]H)(H)2	C[6,6a](C[6,6a]N[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]C[6a,6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]HH){1|N<3>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6a]N[6]H)(H)2{1|C<4>,5|C<3>}	C[6,6a](C[6,6a]N[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]C[6a,6a]H){1|C<4>,2|H<1>,5|C<3>}	116.3500	0.231	2	116.7757	0.570	3	116.7757	0.570	3	116.7757	0.570	3	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:2:4:	3:4:1:1:	4:3:3:	C[6,6a]-3:O[6a]-2:C[6]-4:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(O[6a]C[6a,6a])(C[6]C[5,6]HH)	C[6](C[6,6a]C[6,6a]O[6a])(C[5,6]C[5,6]N[5]H)(H)2	C[6,6a](C[5,6]C[5,6]C[5]O)(C[6,6a]O[6a]C[6])(C[6a]C[6a,6a]O)	C[6,6a](C[6,6a]C[5,6]C[6a])(O[6a]C[6a,6a])(C[6]C[5,6]HH){1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]O[6a])(C[5,6]C[5,6]N[5]H)(H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6,6a](C[5,6]C[5,6]C[5]O)(C[6,6a]O[6a]C[6])(C[6a]C[6a,6a]O){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	124.1080	0.000	1	124.1080	0.000	1	123.7675	0.232	2	123.7675	0.232	2	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:2:4:	3:4:1:1:	4:3:3:	C[6,6a]-3:O[6a]-2:C[6]-4:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(O[6a]C[6a,6a])(C[6]C[5,6]HH)	C[6](C[6,6a]C[6,6a]O[6a])(C[5,6]C[5,6]O[5]C)(H)2	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]O[6a]C[6])(C[6a]C[6a,6a]O)	C[6,6a](C[6,6a]C[5,6]C[6a])(O[6a]C[6a,6a])(C[6]C[5,6]HH){1|H<1>,1|O<1>,1|O<2>,2|C<4>,3|C<3>}	C[6](C[6,6a]C[6,6a]O[6a])(C[5,6]C[5,6]O[5]C)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]O[6a]C[6])(C[6a]C[6a,6a]O){1|C<4>,1|O<1>,2|C<3>,2|O<2>,3|H<1>}	123.4270	0.000	1	123.4270	0.000	1	123.7675	0.232	2	123.7675	0.232	2	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:2:4:	3:4:2:1:	3:3:4:	C[6,6a]-3:O[6a]-2:C[6]-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(O[6a]C[6a,6a])(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]O[6a])(C[6]C[6]HH)(OC)(H)	C[6,6a](C[6,6a]O[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6]HO)	C[6,6a](C[6,6a]C[6a]C[6])(O[6a]C[6a,6a])(C[6]C[6]HO){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]O[6a])(C[6]C[6]HH)(OC)(H){1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]O[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6]HO){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	125.1913	0.065	3	125.1913	0.004	3	125.1913	0.004	3	125.1913	0.004	3	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:2:4:	3:4:2:2:	3:3:3:	C[6,6a]-3:O[6a]-2:C[6]-4:	C[6,6a]-3:C[6]-4:O-2:O-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(O[6a]C[6a,6a])(C[6]C[6]OO)	C[6](C[6,6a]C[6,6a]O[6a])(C[6]C[6]HO)(OC)2	C[6,6a](C[6,6a]O[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(O[6a]C[6a,6a])(C[6]C[6]OO){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]O[6a])(C[6]C[6]HO)(OC)2{4|C<3>}	C[6,6a](C[6,6a]O[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6]H){1|C<4>,2|O<2>,3|C<3>}	120.9920	0.000	1	120.9920	0.000	1	120.9920	0.000	1	120.9920	0.000	1	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:2:4:	4:3:1:1:	3:3:4:	C[6,6a]-3:N[6a]-2:C[6]-4:	C[6,6]-4:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6,6]HH)	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]N[6a])(H)2	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]H)(C[6]N[6,6]CH)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6,6]HH){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]N[6a])(H)2{2|C<4>,4|C<3>}	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]H)(C[6]N[6,6]CH){2|C<3>,2|C<4>,2|H<1>}	120.2290	0.000	1	120.2290	0.000	1	119.9780	0.126	2	119.9780	0.126	2	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:2:4:	4:3:1:1:	3:3:4:	C[6,6a]-3:N[6a]-2:C[6]-4:	C[6,6]-4:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6,6]HH)	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]N[6a])(H)2	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]H)(C[6]N[6,6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6,6]HH){1|N<3>,3|C<3>,4|H<1>}	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]N[6a])(H)2{2|C<4>,4|C<3>}	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]H)(C[6]N[6,6]HH){2|C<3>,2|C<4>,2|H<1>}	119.7270	0.000	1	119.7270	0.000	1	119.9780	0.126	2	119.9780	0.126	2	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:2:4:	4:3:1:1:	3:4:3:	C[6,6a]-3:N[6a]-2:C[6]-4:	C[6,6]-4:C[6,6a]-3:H-1:H-1:	C[6a]-3:C[6,6]-4:C[6,6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(N[6a]C[6a,6a])(C[6]C[6,6]HH)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]N[6a])(H)2	C[6,6a](C[6a]C[6a,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6,6a]N[6a]C[6])	C[6,6a](C[6,6a]C[6,6]C[6a])(N[6a]C[6a,6a])(C[6]C[6,6]HH){2|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]N[6a])(H)2{1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6a]C[6a,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6,6a]N[6a]C[6]){1|C<4>,5|C<3>,6|H<1>}	121.2313	0.224	4	121.2313	0.050	4	121.2313	0.050	4	121.2313	0.050	4	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:2:1:1:	3:2:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:O[6a]-2:C[6]-4:	C[6,6a](C[6,6a]O[6a]C[6])(C[6a]C[6a,6a]O)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(O[6a]C[6a,6a])(C[6]C[6]HH)	C[6,6a](C[6,6a]O[6a]C[6])(C[6a]C[6a,6a]O)(C[6]O[6]HH){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(O[6a]C[6a,6a])(C[6]C[6]HH){1|O<1>,1|O<2>,3|C<3>,3|H<1>}	119.7720	0.000	1	119.7720	0.000	1	119.7720	0.000	1	119.7720	0.000	1	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:2:1:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HH){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(H)2{1|H<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|N<2>,2|C<3>,4|H<1>}	119.6390	0.000	1	119.6390	0.000	1	119.6390	0.000	1	118.6552	4.666	34	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:2:1:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:N[6a]-2:	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a,6a]C[6a])(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(H)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a,6a]C[6a])(C[6]O[6]HH){6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(H)2{1|N<2>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a,6a]){1|O<2>,3|H<1>,5|C<3>}	117.5210	0.000	1	117.5210	0.000	1	117.0957	0.100	4	118.6552	4.666	34	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:2:1:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:N[6a]-2:	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a,6a]H)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(H)2	C[6,6a](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a,6a]H)(C[6]O[6]HH){4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(H)2{1|H<1>,1|N<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a,6a]){1|O<2>,3|H<1>,5|C<3>}	116.9540	0.171	3	116.9540	0.029	3	117.0957	0.100	4	118.6552	4.666	34	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:2:1:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]F)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]O[6]HH){1|F<1>,1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{1|H<1>,2|C<3>,2|N<2>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]F)(N[6]C[6]){1|C<3>,1|N<2>,1|O<2>,4|H<1>}	116.5890	0.000	1	116.5890	0.000	1	116.5890	0.000	1	118.6552	4.666	34	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:2:1:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]Br)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]Br)(C[6]O[6]HH){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{1|Br<1>,1|O<2>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|Br<1>,1|C<3>,1|O<2>,2|C<4>,3|H<1>}	119.7440	0.000	1	119.7440	0.000	1	119.3695	0.357	16	118.6552	4.666	34	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:2:1:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]C[5])(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]C[5])(C[6]O[6]HH){1|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{1|O<2>,2|C<3>,3|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	118.6590	0.000	1	118.6590	0.000	1	119.3695	0.357	16	118.6552	4.666	34	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:2:1:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6,6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]O[6]HH){1|C<3>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6,6]){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	119.3630	0.042	2	119.3630	0.002	2	119.3695	0.357	16	118.6552	4.666	34	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:2:1:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]O[6]HH){1|C<3>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6]){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	119.2278	0.207	6	119.2848	0.135	9	119.3695	0.357	16	118.6552	4.666	34	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:2:1:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]O[6]HH){1|C<3>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{1|O<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6]){1|O<2>,2|C<3>,5|H<1>}	119.3987	0.634	3	119.2848	0.135	9	119.3695	0.357	16	118.6552	4.666	34	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:2:1:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]O[6]HH){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	118.8190	0.000	1	119.0255	0.085	2	119.3695	0.357	16	118.6552	4.666	34	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:2:1:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]O[6]HH){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	119.2320	0.000	1	119.0255	0.085	2	119.3695	0.357	16	118.6552	4.666	34	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:2:1:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]P[6])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]P[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]O[6]HH){1|C<3>,1|C<4>,1|H<1>,1|P<4>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]P[6])(H)2{1|H<1>,1|O<1>,2|C<3>,2|O<2>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]P[6]){1|C<3>,1|O<1>,2|O<2>,4|H<1>}	121.1690	0.000	1	121.1690	0.000	1	119.3695	0.357	16	118.6552	4.666	34	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:2:1:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a,6a]H)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]B[6,6])(H)2	C[6,6a](C[6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]B[6,6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a,6a]H)(C[6]O[6]HH){1|B<4>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]B[6,6])(H)2{1|H<1>,2|C<3>,3|O<2>}	C[6,6a](C[6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]B[6,6]){3|H<1>,3|O<2>,4|C<3>}	117.6140	1.166	4	117.6140	1.359	4	117.6140	1.359	4	118.6552	4.666	34	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:2:1:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:S[6]-2:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:O[6a]-2:	C[6,6a](C[6,6a]C[6,6a]O[6a])(C[6a]C[6a]N[5])(C[6]S[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6,6a])(H)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6a]C[6a])	C[6,6a](C[6,6a]C[6,6a]O[6a])(C[6a]C[6a]N[5])(C[6]S[6]HH){1|C<2>,2|C<4>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6,6a])(H)2{1|N<3>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6a]C[6a]){1|N<3>,1|O<1>,1|S<2>,3|C<3>,3|H<1>}	115.1910	1.182	2	115.1910	1.398	2	115.3553	0.780	3	118.6552	4.666	34	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:2:1:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:S[6]-2:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:O[6a]-2:	C[6,6a](C[6,6a]C[6,6a]O[6a])(C[6a]C[6a]N[6])(C[6]S[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6,6a])(H)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6a]C[6a])	C[6,6a](C[6,6a]C[6,6a]O[6a])(C[6a]C[6a]N[6])(C[6]S[6]HH){1|C<2>,2|C<4>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6,6a])(H)2{1|N<3>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6a]C[6a]){1|N<3>,1|O<1>,1|S<2>,3|C<3>,3|H<1>}	115.6840	0.000	1	115.6840	0.000	1	115.3553	0.780	3	118.6552	4.666	34	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:2:1:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:S[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]S[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]F)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]S[6]HH){1|F<1>,1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6])(H)2{1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]F)(N[6]C[6]){1|C<3>,1|N<3>,1|S<2>,4|H<1>}	116.9635	0.233	2	116.9635	0.054	2	116.9635	0.054	2	118.6552	4.666	34	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:2:1:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:S[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]S[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(S[6]P[6])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]P[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]S[6]HH){1|C<3>,1|P<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(S[6]P[6])(H)2{1|H<1>,1|O<2>,1|S<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]P[6]){1|S<1>,1|S<2>,2|C<3>,4|H<1>}	122.1685	3.502	2	122.1685	12.266	2	122.1685	12.266	2	118.6552	4.666	34	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:2:1:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:S[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]S[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6])	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]S[6]HH){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6])(H)2{1|S<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6]){1|S<2>,2|C<3>,5|H<1>}	124.9670	0.000	1	124.9670	0.000	1	124.9670	0.000	1	118.6552	4.666	34	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:2:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(H)2{1|N<3>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|N<2>,2|C<3>,5|H<1>}	119.6655	0.210	2	119.6655	0.044	2	119.6655	0.044	2	117.8651	5.354	97	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:2:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[5,6])(H)2	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]HH){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[5,6])(H)2{1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	121.4875	0.136	2	121.5004	0.016	5	121.5004	0.016	5	117.8651	5.354	97	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:2:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[5,6])(H)2	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]HH){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[5,6])(H)2{1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|Cl<1>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	121.3590	0.000	1	121.5004	0.016	5	121.5004	0.016	5	117.8651	5.354	97	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:2:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[5,6])(H)2	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]HH){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[5,6])(H)2{1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	121.5140	0.000	1	121.5004	0.016	5	121.5004	0.016	5	117.8651	5.354	97	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:2:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[5,6])(H)2	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]HH){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[5,6])(H)2{1|H<1>,5|C<3>}	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	121.6540	0.000	1	121.5004	0.016	5	121.5004	0.016	5	117.8651	5.354	97	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:2:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[5a,6])(H)2	C[6,6a](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]HH){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[5a,6])(H)2{1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,1|O<2>,4|H<1>}	120.1670	0.000	1	120.1670	0.000	1	120.1670	0.000	1	117.8651	5.354	97	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:2:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(H)2	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]HH){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|F<1>,1|O<2>,2|C<4>,5|H<1>}	119.8930	0.000	1	120.0670	0.061	2	120.0670	0.061	2	117.8651	5.354	97	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:2:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(H)2	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]HH){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(H)2{1|H<1>,1|O<2>,4|C<3>}	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|O<2>,3|C<3>,5|H<1>}	120.2410	0.000	1	120.0670	0.061	2	120.0670	0.061	2	117.8651	5.354	97	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:2:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[5,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6a]C[5,6a]C[6,6a])(C[6a]C[6a]H)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(H)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[5,6a]C[5,6a]C[5])(C[6,6a]C[6a]C[6])	C[6,6a](C[6,6a]C[5,6a]C[6,6a])(C[6a]C[6a]H)(C[6]O[6]HH){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(H)2{1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[5,6a]C[5,6a]C[5])(C[6,6a]C[6a]C[6]){1|C<4>,2|O<2>,3|C<3>,6|H<1>}	117.5890	0.000	1	117.5890	0.000	1	117.5890	0.000	1	117.8651	5.354	97	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:2:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[5a,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6a]C[5a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(H)2	C[6,6a](C[6,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]2)(C[6,6a]C[6a]C[6])	C[6,6a](C[6,6a]C[5a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]O[6]HH){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(H)2{1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]2)(C[6,6a]C[6a]C[6]){2|O<2>,3|H<1>,6|C<3>}	115.3695	0.036	2	115.3695	0.001	2	115.3695	0.001	2	117.8651	5.354	97	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:2:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]2)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(H)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6,6a]C[6,6a]2)	C[6,6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]2)(C[6]O[6]HH){1|C<4>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(H)2{5|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6,6a]C[6,6a]2){1|C<4>,1|O<2>,3|H<1>,6|C<3>}	117.1700	0.946	4	117.0423	0.644	10	116.1373	2.651	25	117.8651	5.354	97	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:2:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]2)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(H)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6,6a]C[6,6a]2)	C[6,6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]2)(C[6]O[6]HH){7|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(H)2{5|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6,6a]C[6,6a]2){1|C<4>,1|O<2>,3|H<1>,6|C<3>}	116.9572	0.775	6	117.0423	0.644	10	116.1373	2.651	25	117.8651	5.354	97	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:2:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]C)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(H)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6,6a]C[6,6a]2)	C[6,6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]C)(C[6]O[6]HH){5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(H)2{1|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6,6a]C[6,6a]2){1|O<2>,2|C<4>,3|H<1>,5|C<3>}	117.0735	1.893	4	117.0735	3.583	4	116.1373	2.651	25	117.8651	5.354	97	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:2:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]C)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(H)2	C[6,6a](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6a]C[6])(C[6,6a]C[6,6a]2)	C[6,6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]C)(C[6]O[6]HH){1|C<4>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(H)2{1|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6a]C[6])(C[6,6a]C[6,6a]2){1|O<2>,2|C<4>,2|H<1>,6|C<3>}	114.4772	0.518	4	114.6165	0.715	10	116.1373	2.651	25	117.8651	5.354	97	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:2:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]C)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(H)2	C[6,6a](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6a]C[6])(C[6,6a]C[6,6a]2)	C[6,6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]C)(C[6]O[6]HH){5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(H)2{5|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6a]C[6])(C[6,6a]C[6,6a]2){1|C<4>,1|O<2>,2|H<1>,7|C<3>}	114.7093	1.049	6	114.6165	0.715	10	116.1373	2.651	25	117.8651	5.354	97	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:2:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]H)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(H)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6,6a]C[6,6a]2)	C[6,6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]H)(C[6]O[6]HH){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(H)2{1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6,6a]C[6,6a]2){1|C<4>,1|O<2>,4|H<1>,5|C<3>}	118.5510	0.000	1	118.5510	0.000	1	116.1373	2.651	25	117.8651	5.354	97	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:2:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]C)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(H)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]C)(C[6]O[6]HH){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(H)2{1|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,2|O<2>,3|C<3>,3|H<1>}	116.8580	0.000	1	116.8580	0.000	1	118.0752	3.602	25	117.8651	5.354	97	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:2:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]F)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(H)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]F)(C[6]O[6]HH){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(H)2{1|F<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|F<1>,1|N<3>,1|O<2>,3|C<3>,3|H<1>}	117.5100	0.092	2	117.5100	0.008	2	118.0752	3.602	25	117.8651	5.354	97	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:2:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(H)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]C)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]O[6]HH){2|C<4>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(H)2{1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]C){2|O<2>,3|C<3>,4|H<1>}	116.4100	0.000	1	116.4100	0.000	1	118.0752	3.602	25	117.8651	5.354	97	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:2:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(H)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]O[6]HH){1|H<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(H)2{1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|H<1>,3|O<2>}	121.3040	0.119	2	118.4591	3.882	8	118.0752	3.602	25	117.8651	5.354	97	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:2:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(H)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]O[6]HH){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(H)2{1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|Br<1>,2|O<2>,3|C<3>,3|H<1>}	117.3160	0.000	1	118.4591	3.882	8	118.0752	3.602	25	117.8651	5.354	97	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:2:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(H)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]O[6]HH){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(H)2{1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	117.9205	0.797	2	118.4591	3.882	8	118.0752	3.602	25	117.8651	5.354	97	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:2:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(H)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]O[6]HH){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(H)2{1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,2|O<2>,3|C<3>,3|H<1>}	117.6000	0.000	1	118.4591	3.882	8	118.0752	3.602	25	117.8651	5.354	97	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:2:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(H)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]O[6]HH){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(H)2{1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,2|O<2>,3|C<3>,3|H<1>}	115.6870	0.000	1	118.4591	3.882	8	118.0752	3.602	25	117.8651	5.354	97	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:2:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(H)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]O[6]HH){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(H)2{1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,3|C<3>,5|H<1>}	118.6210	0.000	1	118.4591	3.882	8	118.0752	3.602	25	117.8651	5.354	97	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:2:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(H)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]N[6a])	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]O[6]HH){1|N<2>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(H)2{1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]N[6a]){1|O<2>,4|H<1>,5|C<3>}	117.1000	0.000	1	117.1000	0.000	1	118.0752	3.602	25	117.8651	5.354	97	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:2:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(H)2	C[6,6a](C[6,6a]C[6,6a]O[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]O[6]HH){1|H<1>,2|C<3>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(H)2{1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]O[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|O<2>,3|C<3>,4|H<1>}	117.7490	0.000	1	117.7490	0.000	1	118.0752	3.602	25	117.8651	5.354	97	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:2:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(H)2	C[6,6a](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]O[6]HH){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(H)2{1|H<1>,1|N<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<2>,1|O<2>,3|C<3>,4|H<1>}	115.9932	0.690	5	115.9932	0.476	5	118.0752	3.602	25	117.8651	5.354	97	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:2:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]N[6a]O)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(H)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]N[6a]O)(C[6]O[6]HH){5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(H)2{1|N<3>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]2){1|N<3>,1|O<1>,1|O<2>,3|H<1>,5|C<3>}	120.4977	0.417	4	120.4977	0.174	4	118.0752	3.602	25	117.8651	5.354	97	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:2:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]N[6a]O)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(H)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]C)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]N[6a]O)(C[6]O[6]HH){1|C<4>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(H)2{1|N<3>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]C){1|N<3>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	119.5560	0.434	2	119.5560	0.188	2	118.0752	3.602	25	117.8651	5.354	97	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:2:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]F)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[5,6])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]C)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]F)(C[6]O[6]HH){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[5,6])(H)2{1|F<1>,1|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]C)(C[6a]C[6a]H){1|F<1>,2|C<3>,2|O<2>,3|H<1>}	121.1060	0.000	1	121.1060	0.000	1	121.1060	0.000	1	117.8651	5.354	97	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:2:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5a,6a]H)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5a,6a]O)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5a,6a]H)(C[6]O[6]HH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5a,6a]O)(C[6]C[6]H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	117.7010	0.000	1	117.7010	0.000	1	117.2721	2.417	13	117.8651	5.354	97	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:2:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]O)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]O)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]O)(C[6]O[6]HH){1|H<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{1|C<4>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]O)(C[6]C[6]H){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	117.3750	0.000	1	117.3750	0.000	1	117.2721	2.417	13	117.8651	5.354	97	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:2:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HH){1|C<2>,1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<3>,1|O<2>,6|H<1>}	120.0690	0.000	1	117.8736	4.314	5	117.2721	2.417	13	117.8651	5.354	97	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:2:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HH){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<3>,1|N<3>,1|O<2>,4|H<1>}	117.4880	0.000	1	117.8736	4.314	5	117.2721	2.417	13	117.8651	5.354	97	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:2:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HH){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C){1|Cl<1>,1|O<2>,2|C<3>,3|H<1>}	115.0720	0.000	1	117.8736	4.314	5	117.2721	2.417	13	117.8651	5.354	97	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:2:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HH){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{1|O<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<3>,2|O<2>,5|H<1>}	119.7740	0.000	1	117.8736	4.314	5	117.2721	2.417	13	117.8651	5.354	97	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:2:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HH){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<3>,1|O<2>,5|H<1>}	116.9650	0.000	1	117.8736	4.314	5	117.2721	2.417	13	117.8651	5.354	97	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:2:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HH){2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|O<2>,2|C<3>,4|H<1>}	116.6695	0.189	2	116.6695	0.036	2	117.2721	2.417	13	117.8651	5.354	97	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:2:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]I)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HH){1|I<1>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]I){1|O<2>,2|C<3>,4|H<1>}	114.9080	0.000	1	114.9080	0.000	1	117.2721	2.417	13	117.8651	5.354	97	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:2:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]N)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HH){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{1|H<1>,1|N<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]N){1|C<3>,1|N<2>,1|O<2>,4|H<1>}	118.0235	0.305	2	118.0235	0.093	2	117.2721	2.417	13	117.8651	5.354	97	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:2:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]P)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HH){1|P<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]P){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	115.7990	0.000	1	115.7990	0.000	1	117.2721	2.417	13	117.8651	5.354	97	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:2:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[5,6])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]O[6]HH){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[5,6])(H)2{1|H<1>,1|N<3>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]H){1|O<2>,3|C<3>,4|H<1>}	119.7020	0.083	2	119.7020	0.007	2	119.2961	2.857	9	117.8651	5.354	97	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:2:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]O[6]HH){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{1|N<3>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|O<2>,2|C<3>,5|H<1>}	115.2150	0.000	1	115.2150	0.000	1	119.2961	2.857	9	117.8651	5.354	97	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:2:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]O[6]HH){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	119.3060	0.396	3	119.5082	0.189	5	119.2961	2.857	9	117.8651	5.354	97	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:2:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]O[6]HH){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	119.8115	0.370	2	119.5082	0.189	5	119.2961	2.857	9	117.8651	5.354	97	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:2:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]O[6]HH){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|S<4>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	121.5050	0.000	1	121.5050	0.000	1	119.2961	2.857	9	117.8651	5.354	97	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:2:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[5,6])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]HH){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[5,6])(H)2{1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H){1|N<3>,1|O<2>,1|S<1>,2|C<3>,4|H<1>}	119.0500	0.000	1	119.0500	0.000	1	119.0500	0.000	1	117.8651	5.354	97	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:2:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]HH){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(H)2{1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,4|H<1>}	121.3540	0.000	1	118.4575	16.779	2	118.4575	16.779	2	117.8651	5.354	97	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:2:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]HH){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(H)2{1|N<3>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){1|O<2>,4|C<3>,5|H<1>}	115.5610	0.000	1	118.4575	16.779	2	118.4575	16.779	2	117.8651	5.354	97	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:2:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6a,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(H)2	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])	C[6,6a](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]O[6]HH){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(H)2{1|H<1>,4|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6]){1|O<2>,5|C<3>,5|H<1>}	117.7950	0.129	2	117.7950	0.017	2	117.7950	0.017	2	117.8651	5.354	97	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:2:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:H-1:H-1:	N[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[3x6])(H)2	C[6,6a](N[6,6]C[3x6]C[6,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]HH){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[3x6])(H)2{1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6,6a](N[6,6]C[3x6]C[6,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	114.1870	0.211	2	114.1870	0.044	2	114.1870	0.044	2	117.8651	5.354	97	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:2:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:S[6]-2:H-1:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]S[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(S[6]C[5,6])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]S[6]HH){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(S[6]C[5,6])(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,1|S<2>,4|H<1>}	123.0660	1.233	2	123.0660	1.521	2	123.0660	1.521	2	117.8651	5.354	97	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:2:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:S[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]S[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]N)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]S[6]HH){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6])(H)2{1|H<1>,1|O<2>,1|S<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]N){1|C<3>,1|O<2>,2|S<2>,4|H<1>}	118.8270	0.000	1	118.8270	0.000	1	118.8270	0.000	1	117.8651	5.354	97	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:2:1:1:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6]O[6]HH)	C[6](C[6,6a]C[6a,6a]C[6,6a])(O[6]C[6,6a])(H)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6]O[6]HH){2|H<1>,5|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(O[6]C[6,6a])(H)2{5|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	117.9400	0.000	1	117.9400	0.000	1	117.9400	0.000	1	117.8651	5.354	97	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:2:1:1:	3:3:4:	C[5a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[5a,6a]C[5a,6a]2)(C[6,6a]C[6a]C[6])(C[6]O[6]HH)	C[6](C[6,6a]C[5a,6a]C[6,6a])(O[6]C[6])(H)2	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6,6a](C[5a,6a]C[5a,6a]2)(C[6,6a]C[6a]C[6])(C[6]O[6]HH){1|H<1>,1|N<3>,2|C<4>,4|C<3>}	C[6](C[6,6a]C[5a,6a]C[6,6a])(O[6]C[6])(H)2{1|C<4>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|O<1>,1|O<2>,2|C<3>,3|H<1>}	119.5600	0.000	1	119.5600	0.000	1	119.5600	0.000	1	119.6373	2.976	27	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:2:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|C<3>,1|N<2>,5|H<1>}	120.8550	0.000	1	120.8550	0.000	1	120.8550	0.000	1	119.6373	2.976	27	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:2:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5a,6a]H)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5a,6a]O)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5a,6a]H)(C[6]O[6]HH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5a,6a]O)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	119.0600	0.000	1	119.0600	0.000	1	119.7750	2.917	22	119.6373	2.976	27	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:2:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HH){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]CH){1|C<4>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	118.3500	0.000	1	118.3500	0.000	1	119.7750	2.917	22	119.6373	2.976	27	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:2:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HH){1|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2H){1|C<4>,1|O<2>,3|C<3>,6|H<1>}	120.1610	0.000	1	120.1610	0.000	1	119.7750	2.917	22	119.6373	2.976	27	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:2:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HH){1|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|O<2>,2|C<3>,5|H<1>}	122.0910	0.000	1	122.0910	0.000	1	119.7750	2.917	22	119.6373	2.976	27	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:2:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HH){1|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|O<2>,3|C<3>,4|H<1>}	121.8180	0.000	1	119.2980	12.701	2	119.7750	2.917	22	119.6373	2.976	27	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:2:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HH){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|O<1>,1|O<2>,4|H<1>}	116.7780	0.000	1	119.2980	12.701	2	119.7750	2.917	22	119.6373	2.976	27	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:2:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]FN)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HH){1|F<1>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]FN){1|C<3>,1|O<1>,1|O<2>,4|H<1>}	116.9010	0.000	1	116.9010	0.000	1	119.7750	2.917	22	119.6373	2.976	27	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:2:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HH){1|C<3>,1|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	120.2100	0.304	6	120.2100	0.093	6	119.7750	2.917	22	119.6373	2.976	27	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:2:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HH){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|O<2>,2|C<3>,5|H<1>}	120.3485	0.334	2	118.5857	4.443	4	119.7750	2.917	22	119.6373	2.976	27	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:2:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HH){1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<3>,1|O<1>,1|O<2>,4|H<1>}	116.8230	0.888	2	118.5857	4.443	4	119.7750	2.917	22	119.6373	2.976	27	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:2:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]O[6]HH){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	120.2380	0.000	1	120.2380	0.000	1	119.7750	2.917	22	119.6373	2.976	27	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:2:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]N[5,6a]O)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[6]CO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]N[5,6a]O)(C[6]O[6]HH){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{1|C<3>,1|C<4>,1|N<3>,2|O<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[6]CO){1|C<3>,1|N<3>,1|O<2>,2|H<1>,2|O<1>}	120.5453	1.055	3	121.0127	1.616	4	119.7750	2.917	22	119.6373	2.976	27	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:2:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]N[5,6a]O)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[6]CO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]N[5,6a]O)(C[6]O[6]HH){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{1|C<3>,1|C<4>,1|N<3>,2|O<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[6]CO){1|C<4>,1|N<3>,1|O<2>,2|H<1>,2|O<1>}	122.4150	0.000	1	121.0127	1.616	4	119.7750	2.917	22	119.6373	2.976	27	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:2:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:S[6]-2:H-1:H-1:	C[5a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6a]C[6a]N[6a])(C[6]S[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6])(H)2	C[6,6a](C[5a,6a]C[5a,6a]C[5a])(C[6,6a]C[6a]C[6])(C[6]C[6]HH)	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6a]C[6a]N[6a])(C[6]S[6]HH){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6])(H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6,6a](C[5a,6a]C[5a,6a]C[5a])(C[6,6a]C[6a]C[6])(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,1|S<2>,2|N<2>,4|H<1>}	120.5590	0.000	1	120.5590	0.000	1	120.5590	0.000	1	119.6373	2.976	27	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:2:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:S[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]S[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(S[6]S[6])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]S[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]S[6]HH){1|C<3>,1|S<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(S[6]S[6])(H)2{1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]S[6]HH){1|C<3>,1|O<1>,1|S<2>,4|H<1>}	117.5510	0.000	1	117.5510	0.000	1	117.5510	0.000	1	119.6373	2.976	27	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:2:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:S[6]-2:H-1:H-1:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]N[6a])(C[6]S[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6])(H)2	C[6,6a](C[6a,6a]C[6a,6a]2)(C[6,6a]C[6a]C[6])(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]N[6a])(C[6]S[6]HH){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6])(H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6,6a](C[6a,6a]C[6a,6a]2)(C[6,6a]C[6a]C[6])(C[6]C[6]HH){1|N<2>,1|S<2>,4|C<3>,4|H<1>}	116.6320	0.000	1	116.6320	0.000	1	116.6320	0.000	1	119.6373	2.976	27	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:2:1:1:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[3,6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[3,6]C[3]2C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]HH){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[3,6]C[3]2C[6])(C[6a]C[6a]H){1|N<2>,1|O<2>,2|C<3>,7|H<1>}	116.1290	0.000	1	116.1290	0.000	1	116.1290	0.000	1	120.0097	3.678	18	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:2:1:1:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HH){1|C<3>,1|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(H)2{1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|O<2>,3|C<3>,4|H<1>}	115.1540	0.000	1	119.1808	5.258	5	120.0430	2.933	14	120.0097	3.678	18	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:2:1:1:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HH){1|C<3>,1|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	120.1875	0.504	4	119.1808	5.258	5	120.0430	2.933	14	120.0097	3.678	18	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:2:1:1:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HH){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|O<2>,4|C<3>,5|H<1>}	120.6340	0.294	2	120.6340	0.087	2	120.0430	2.933	14	120.0097	3.678	18	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:2:1:1:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HH){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]O){1|C<4>,2|O<2>,3|C<3>,4|H<1>}	120.1350	0.000	1	119.8757	2.486	4	120.0430	2.933	14	120.0097	3.678	18	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:2:1:1:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]O){2|O<2>,3|C<3>,5|H<1>}	120.7520	0.000	1	119.8757	2.486	4	120.0430	2.933	14	120.0097	3.678	18	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:2:1:1:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]O){1|C<4>,1|O<2>,3|C<3>,5|H<1>}	119.3080	2.445	2	119.8757	2.486	4	120.0430	2.933	14	120.0097	3.678	18	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:2:1:1:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]O[6]HH){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){3|C<3>,3|O<2>,4|H<1>}	121.4230	0.365	2	121.3090	0.106	3	120.0430	2.933	14	120.0097	3.678	18	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:2:1:1:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]O[6]HH){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<4>,2|O<2>,3|C<3>,4|H<1>}	121.0810	0.000	1	121.3090	0.106	3	120.0430	2.933	14	120.0097	3.678	18	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:2:1:1:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:N[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6]RuH)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]O[6]HH){1|Ru<8>,1|C<3>,1|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{1|N<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6]RuH)(C[6a]C[6a]H){1|O<2>,2|C<3>,5|H<1>}	119.2600	0.000	1	119.2600	0.000	1	119.2600	0.000	1	120.0097	3.678	18	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:2:1:1:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:S[6]-2:H-1:H-1:	C[6,6a]-3:Si[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]Si[6])(C[6a]C[6a]H)(C[6]S[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(Si[6]C[6]CC)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]Si[6])(C[6a]C[6a]H)(C[6]S[6]HH){1|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6])(H)2{1|Si<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(Si[6]C[6]CC)(C[6a]C[6a]H){1|S<2>,2|C<3>,5|H<1>}	122.0920	0.307	2	122.0920	0.094	2	122.0920	0.094	2	120.0097	3.678	18	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:2:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	C[6,6a](C[3,6]C[3,5]2C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]HH){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6,6a](C[3,6]C[3,5]2C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<2>,1|O<2>,2|C<3>,6|H<1>}	116.1305	0.334	2	116.1305	0.112	2	116.1305	0.112	2	119.7771	2.442	18	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:2:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[3x6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[3x6]C[6a])(C[6a]C[6a]H)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]P[3x6])(H)2	C[6,6a](C[3x6]C[6,6a]2P[3x6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[3x6]C[6a])(C[6a]C[6a]H)(C[6]O[6]HH){1|P<5>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]P[3x6])(H)2{1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[6,6a](C[3x6]C[6,6a]2P[3x6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,3|O<2>,4|H<1>,5|C<3>}	118.7490	0.746	3	118.7490	0.556	3	118.7490	0.556	3	119.7771	2.442	18	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:2:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[5,6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6a]C[5,6a]H)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[5,6])(H)2	C[6,6a](C[5,6,6]C[5,6]2C[6])(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6a]C[5,6a]H)(C[6]O[6]HH){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[5,6])(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6,6a](C[5,6,6]C[5,6]2C[6])(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H){1|N<3>,2|C<3>,2|C<4>,3|O<2>,5|H<1>}	120.3465	0.487	2	120.5307	0.220	3	120.5307	0.220	3	119.7771	2.442	18	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:2:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[5,6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6a]C[5,6a]H)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[5,6])(H)2	C[6,6a](C[5,6,6]C[5,6]2C[6])(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6a]C[5,6a]H)(C[6]O[6]HH){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[5,6])(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6,6a](C[5,6,6]C[5,6]2C[6])(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H){1|N<4>,2|C<3>,2|C<4>,3|O<2>,5|H<1>}	120.8990	0.000	1	120.5307	0.220	3	120.5307	0.220	3	119.7771	2.442	18	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:2:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[5,6])(H)2	C[6,6a](C[5,6]C[5,6]C[5]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]HH){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[5,6])(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6,6a](C[5,6]C[5,6]C[5]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,2|C<4>,2|O<2>,6|H<1>}	120.2550	0.000	1	120.2550	0.000	1	120.5566	0.124	7	119.7771	2.442	18	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:2:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	C[6,6a](C[5,6]C[5]C[6]N[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]HH){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[5,6]C[5]C[6]N[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,1|S<4>,2|C<3>,7|H<1>}	121.2020	0.000	1	121.2020	0.000	1	120.5566	0.124	7	119.7771	2.442	18	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:2:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	C[6,6a](C[5,6]C[5]C[6]O[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]HH){1|C<3>,2|C<4>,3|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[5,6]C[5]C[6]O[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|C<3>,1|O<2>,2|C<4>,8|H<1>}	120.4878	0.231	5	120.4878	0.053	5	120.5566	0.124	7	119.7771	2.442	18	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:2:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(H)2	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]HH){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|Fe<7>,1|C<3>,2|C<4>,2|O<2>,5|H<1>}	120.1300	0.000	1	120.1300	0.000	1	120.6637	0.516	3	119.7771	2.442	18	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:2:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(H)2	C[6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]HH){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	121.4800	0.000	1	121.4800	0.000	1	120.6637	0.516	3	119.7771	2.442	18	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:2:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	C[6,6a](C[6,6]C[6,6a]C[6]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]HH){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6]C[6,6a]C[6]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,4|C<3>,6|H<1>}	120.3810	0.000	1	120.3810	0.000	1	120.6637	0.516	3	119.7771	2.442	18	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:2:2:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:O-2:H-1:	C[6,6a]-3:C[6,6a]-3:O[6a]-2:	C[6,6a](C[6,6a]C[6,6a]O[6a])(C[6a]C[6a,6a]O)(C[6]O[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(OH)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6a]C[6a,6a])	C[6,6a](C[6,6a]C[6,6a]O[6a])(C[6a]C[6a,6a]O)(C[6]O[6]HO){4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(OH)(H){1|O<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6a]C[6a,6a]){1|O<1>,2|H<1>,2|O<2>,4|C<3>}	118.2270	0.000	1	118.2270	0.000	1	118.2270	0.000	1	118.2270	0.000	1	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:2:2:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-2:O-2:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]HO){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(OH)(H){1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|N<2>,1|O<2>,2|C<3>,3|H<1>}	119.3350	0.000	1	119.3350	0.000	1	119.3350	0.000	1	118.7090	0.533	9	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:2:2:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(OC)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]I)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HO){1|I<1>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(OC)(H){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]I){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	118.6308	0.739	8	118.6308	0.547	8	118.6308	0.547	8	118.7090	0.533	9	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:2:2:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(OC[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HO){1|C<3>,1|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(OC[6])(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,2|O<2>,5|H<1>}	121.2330	0.000	1	121.2330	0.000	1	120.4708	0.260	4	120.4708	0.260	4	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:2:2:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(OO)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HO){1|C<3>,1|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(OO)(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,2|O<2>,5|H<1>}	120.2167	0.051	3	120.2167	0.003	3	120.4708	0.260	4	120.4708	0.260	4	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:2:2:1:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:O-2:H-1:	C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6,6a]C[6,6a]O[6])(C[6]O[6]HO)	C[6](C[6,6a]C[6,6a]2)(O[6]C[5,6])(OC)(H)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6,6a]C[6,6a]O[6])(C[6]O[6]HO){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	C[6](C[6,6a]C[6,6a]2)(O[6]C[5,6])(OC)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6,6a]C[6])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]O){1|C<3>,3|C<4>,3|O<2>,4|H<1>}	115.6930	0.047	2	115.6930	0.002	2	115.6930	0.002	2	115.6930	0.002	2	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:2:2:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:O-2:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[5,6])(OH)(H)	C[6,6a](C[5,6]C[5,6]C[5]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]HO){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[5,6])(OH)(H){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[5,6]C[5,6]C[5]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,2|O<2>,3|C<3>,5|H<1>}	121.8410	0.000	1	121.8410	0.000	1	121.8410	0.000	1	121.8410	0.000	1	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:2:3:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:C-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]O[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CCH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]O[6]CH){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CCH)(H){1|H<1>,1|N<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|Br<1>,1|O<2>,2|H<1>,3|C<3>}	117.9980	0.102	2	117.9980	0.010	2	117.3500	1.265	3	117.3500	1.265	3	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:2:3:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:C-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]O[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(COO)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]O[6]CH){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(COO)(H){1|H<1>,1|N<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|O<2>,3|C<3>,3|H<1>}	116.0540	0.000	1	116.0540	0.000	1	117.3500	1.265	3	117.3500	1.265	3	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:2:3:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:C-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]O[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CCH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]O[6]CH){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CCH)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	120.1680	0.000	1	120.1680	0.000	1	120.1680	0.000	1	120.8875	1.035	2	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:2:3:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:N-3:H-1:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]HN)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(NCC)(H)	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]HN){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(NCC)(H){1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<2>,3|C<3>,4|H<1>}	121.6070	0.000	1	121.6070	0.000	1	121.6070	0.000	1	120.8875	1.035	2	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:2:3:2:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:C-3:O-2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]CO)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(CC[6a]O)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]CO){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(CC[6a]O)(OH){1|H<1>,1|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H){2|H<1>,3|C<3>,3|O<2>}	120.4240	0.000	2	120.4240	0.000	2	120.4240	0.000	2	120.4240	0.000	2	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:2:4:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-2:C-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]S[6])(CCHH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]S[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|C<3>,1|S<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]S[6])(CCHH)(H){1|H<1>,1|O<2>,2|C<3>,2|O<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]S[6]){1|C<3>,1|C<4>,1|N<2>,2|O<1>,3|H<1>}	123.7700	0.000	1	123.7700	0.000	1	123.7700	0.000	1	120.5453	11.097	3	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:2:4:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:C-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]O[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CF3)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]O[6]CH){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CF3)(H){1|H<1>,1|N<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	117.1170	0.000	1	117.1170	0.000	1	117.1170	0.000	1	120.5453	11.097	3	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:2:4:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:C-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]O[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]P[6])(CCl3)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]P[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]O[6]CH){1|Cl<1>,1|C<3>,1|H<1>,1|P<4>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]P[6])(CCl3)(H){1|H<1>,1|S<1>,2|C<3>,2|O<2>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]P[6]){1|C<3>,1|C<4>,1|S<1>,2|O<2>,3|H<1>}	120.7490	0.000	1	120.7490	0.000	1	120.7490	0.000	1	120.5453	11.097	3	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:2:4:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-2:C-4:H-1:	N[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6])(CCHH)(H)	C[6,6a](N[5,6]C[5,6a]C[5,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]CH){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6])(CCHH)(H){1|H<1>,1|N<3>,1|S<2>,2|C<3>}	C[6,6a](N[5,6]C[5,6a]C[5,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<2>,1|S<2>,3|C<3>,3|H<1>}	120.5730	0.000	1	120.5730	0.000	1	120.5730	0.000	1	117.8334	3.122	15	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:2:4:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:C-4:H-1:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(CCHH)(H)	C[6,6a](C[6,6]C[6,6]O[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]CH){1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(CCHH)(H){1|H<1>,4|C<3>}	C[6,6a](C[6,6]C[6,6]O[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	118.8570	0.000	1	118.8570	0.000	1	118.2730	0.682	2	117.8334	3.122	15	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:2:4:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:C-4:H-1:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(CHHS)(H)	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]CH){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(CHHS)(H){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|H<1>,2|O<2>,3|C<4>}	117.6890	0.000	1	117.6890	0.000	1	118.2730	0.682	2	117.8334	3.122	15	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:2:4:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:C-4:H-1:	C[6,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]2)(C[6]O[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(CH3)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6a]C[6])(C[6,6a]C[6,6a]2)	C[6,6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]2)(C[6]O[6]CH){7|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(CH3)(H){5|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6a]C[6])(C[6,6a]C[6,6a]2){1|H<1>,1|O<2>,2|C<4>,7|C<3>}	116.0500	0.414	2	116.0500	0.172	2	116.0500	0.172	2	117.8334	3.122	15	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:2:4:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:C-4:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[5,6a]H)(C[6]O[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(CH3)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[5,6a]H)(C[6]O[6]CH){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(CH3)(H){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H){1|O<2>,2|H<1>,3|C<3>,3|C<4>}	115.7840	0.000	1	115.7840	0.000	1	116.9525	2.731	2	117.8334	3.122	15	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:2:4:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:C-4:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]C)(C[6]O[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(CCHH)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]C)(C[6]O[6]CH){1|H<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(CCHH)(H){1|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<4>,2|H<1>,2|O<2>,3|C<3>}	118.1210	0.000	1	118.1210	0.000	1	116.9525	2.731	2	117.8334	3.122	15	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:2:4:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CCCH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]CH){2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CCCH)(H){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	116.7540	0.000	1	116.7540	0.000	1	116.8945	0.932	4	117.8334	3.122	15	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:2:4:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CCHH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]CH){2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CCHH)(H){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	118.2910	0.000	1	118.2910	0.000	1	116.8945	0.932	4	117.8334	3.122	15	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:2:4:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CHHN)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]CH){2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CHHN)(H){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	116.1300	0.000	1	116.1300	0.000	1	116.8945	0.932	4	117.8334	3.122	15	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:2:4:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]N[6])(CCHH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]CH){1|C<3>,1|N<3>,1|O<1>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]N[6])(CCHH)(H){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	116.4030	0.000	1	116.4030	0.000	1	116.8945	0.932	4	117.8334	3.122	15	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:2:4:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:C-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]O[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CF3)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]O[6]CH){1|S<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CF3)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	118.2520	0.000	2	118.2520	0.000	2	118.2520	0.000	2	117.8334	3.122	15	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:2:4:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:C-4:H-1:	C[6,6a]-3:N[6a]-3:N[6]-3:	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]N[6a]O)(C[6]O[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CF3)(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]C)(N[6]C[6]H)	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]N[6a]O)(C[6]O[6]CH){1|C<3>,1|H<1>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CF3)(H){1|C<3>,1|H<1>,1|O<1>,3|N<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]C)(N[6]C[6]H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>,2|O<1>}	118.2860	0.000	1	118.2860	0.000	1	118.2860	0.000	1	117.8334	3.122	15	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:2:4:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:S[6]-2:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]S[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6])(CC3)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]S[6]CH){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6])(CC3)(H){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<3>,1|S<2>,2|C<4>,3|H<1>}	122.0090	0.000	1	122.0090	0.000	1	122.0090	0.000	1	117.8334	3.122	15	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:2:4:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]O)(C[6]O[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CH3)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]O)(C[6]O[6]CH){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CH3)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]H)(C[6]C[6]HH){1|C<3>,2|H<1>,2|O<2>,3|C<4>}	121.4920	0.000	1	121.4920	0.000	1	120.4757	0.881	6	120.5397	0.763	7	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:2:4:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]O)(C[6]O[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CH3)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]O)(C[6]O[6]CH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CH3)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6]HH){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	121.6500	0.000	1	121.6500	0.000	1	120.4757	0.881	6	120.5397	0.763	7	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:2:4:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CC[6]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]CH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CC[6]HH)(H){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2O){1|C<4>,2|O<2>,3|C<3>,4|H<1>}	119.7717	0.500	3	119.7717	0.250	3	120.4757	0.881	6	120.5397	0.763	7	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:2:4:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]O[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CH3)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]O[6]CH){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CH3)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH){1|C<3>,2|C<4>,2|H<1>,3|O<2>}	120.3970	0.000	1	120.3970	0.000	1	120.4757	0.881	6	120.5397	0.763	7	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:2:4:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:C-4:H-1:	C[6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]O[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CH3)(H)	C[6,6a](C[6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]O[6]CH){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CH3)(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[6]HH){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	120.9240	0.000	1	120.9240	0.000	1	120.9240	0.000	1	120.5397	0.763	7	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:2:4:1:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:C-4:H-1:	C[6a,6a]-3:C[5,6]-4:C[6,6a]-3:	C[6,6a](C[6,6a]C[6a,6a]C[5,6])(C[6a]O[6a]O)(C[6]O[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]N[5,6])(CH3)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6])	C[6,6a](C[6,6a]C[6a,6a]C[5,6])(C[6a]O[6a]O)(C[6]O[6]CH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]N[5,6])(CH3)(H){1|C<3>,1|C<4>,1|O<1>,2|O<2>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6]){1|O<1>,2|C<3>,2|C<4>,3|O<2>,4|H<1>}	122.3465	0.206	2	122.1290	0.163	3	122.1290	0.163	3	122.1290	0.163	3	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:2:4:1:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:C-4:H-1:	C[6a,6a]-3:C[5,6]-4:C[6,6a]-3:	C[6,6a](C[6,6a]C[6a,6a]C[5,6])(C[6a]O[6a]O)(C[6]O[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]N[5,6])(CH3)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6])	C[6,6a](C[6,6a]C[6a,6a]C[5,6])(C[6a]O[6a]O)(C[6]O[6]CH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]N[5,6])(CH3)(H){1|C<3>,1|C<4>,1|O<1>,2|O<2>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6]){1|O<1>,2|C<3>,3|C<4>,3|H<1>,3|O<2>}	121.6940	0.000	1	122.1290	0.163	3	122.1290	0.163	3	122.1290	0.163	3	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:2:4:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:C-4:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(CH3)(H)	C[6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]CH){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(CH3)(H){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,2|O<2>,3|C<4>,3|H<1>}	120.1310	0.914	2	120.1310	0.835	2	120.1310	0.835	2	120.1310	0.835	2	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:2:4:2:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:C-4:C-2:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]O[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CF3)(CC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]O[6]CC){1|Cl<1>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CF3)(CC){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<2>,1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	117.4115	0.899	2	117.4115	0.808	2	117.4115	0.808	2	118.4593	3.698	3	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:2:4:2:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:C-4:O-2:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]O[6]CO)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(CCFF)(OH)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]C)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]O[6]CO){5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(CCFF)(OH){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]C){1|C<4>,2|H<1>,3|C<3>,3|O<2>}	120.5550	0.000	1	120.5550	0.000	1	120.5550	0.000	1	118.4593	3.698	3	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:2:4:4:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-2:C-4:C-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]S[6])(CCHH)(CF3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]S[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]CC){1|C<3>,1|S<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]S[6])(CCHH)(CF3){1|H<1>,1|O<2>,2|C<3>,2|O<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]S[6]){1|C<3>,1|N<2>,2|C<4>,2|H<1>,2|O<1>}	123.0020	0.000	1	123.0020	0.000	1	123.0020	0.000	1	119.5888	5.816	4	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:2:4:4:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:C-4:C-4:	C[6,6a]-3:C[6,6a]-3:N[6a]-2:	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a,6a]N[5a])(C[6]O[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(CCHH)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a,6a]N[5a])(C[6]O[6]CC){6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(CCHH)2{1|N<2>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a,6a]){1|H<1>,1|N<3>,1|O<2>,2|C<4>,4|C<3>}	117.3630	0.000	1	117.3630	0.000	1	117.3630	0.000	1	119.5888	5.816	4	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:2:4:4:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:C-4:C-4:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]O[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CBrCH)(CCHH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]O[6]CC){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CBrCH)(CCHH){1|H<1>,1|N<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	118.7310	0.000	1	118.7310	0.000	1	118.9950	0.139	2	119.5888	5.816	4	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:2:4:4:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:C-4:C-4:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]O[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CCHH)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]O[6]CC){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CCHH)(CH3){1|H<1>,1|N<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	119.2590	0.000	1	119.2590	0.000	1	118.9950	0.139	2	119.5888	5.816	4	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:2:4:4:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:C-4:C-4:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[5,6a]H)(C[6]O[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(CH3)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[5,6a]H)(C[6]O[6]CC){1|H<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(CH3)2{1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H){2|C<4>,2|H<1>,2|O<2>,3|C<3>}	119.0420	0.000	1	119.0420	0.000	1	118.8440	0.147	3	119.6824	0.678	8	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:2:4:4:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:C-4:C-4:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]O[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(CCHH)(CH3)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]O[6]CC){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(CCHH)(CH3){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|Cl<1>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	119.0880	0.000	1	119.0880	0.000	1	118.8440	0.147	3	119.6824	0.678	8	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:2:4:4:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:C-4:C-4:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]O[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(CCHH)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]O[6]CC){1|H<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(CCHH)2{1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	118.4020	0.000	1	118.4020	0.000	1	118.8440	0.147	3	119.6824	0.678	8	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:2:4:4:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:C-4:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6,6a]H)(C[6]O[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CH3)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]H)(N[6]C[6]O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6,6a]H)(C[6]O[6]CC){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CH3)2{1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]H)(N[6]C[6]O){1|C<3>,1|H<1>,1|N<3>,1|O<2>,4|C<4>}	120.5345	0.817	2	120.5345	0.667	2	120.3293	0.460	3	119.6824	0.678	8	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:2:4:4:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:C-4:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]O[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CHHO)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]O[6]CC){2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CHHO)(CH3){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	119.9190	0.000	1	119.9190	0.000	1	120.3293	0.460	3	119.6824	0.678	8	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:2:4:4:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:C-4:C-4:	N[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]Nb[6,6])(CF3)2	C[6,6a](N[6,6]C[6,6a]Nb[6,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]CC){1|Nb<5>,1|C<4>,1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]Nb[6,6])(CF3)2{1|H<1>,1|N<3>,1|O<2>,2|C<3>,2|C<4>}	C[6,6a](N[6,6]C[6,6a]Nb[6,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|H<1>,2|O<2>,3|C<3>,4|C<4>}	119.9695	0.030	2	119.9695	0.001	2	119.9695	0.001	2	119.6824	0.678	8	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:2:4:4:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:O[6]-2:C-4:C-4:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[5,5,6])(CH3)2	C[6,6a](C[5,6]C[5,5,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]CC){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[5,5,6])(CH3)2{1|H<1>,2|C<3>,3|C<4>}	C[6,6a](C[5,6]C[5,5,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|H<1>,2|O<2>,5|C<4>}	120.1995	1.501	2	120.1995	2.254	2	120.1995	2.254	2	120.1995	2.254	2	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:1:1:	3:2:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:N[6a]-2:O[6]-2:	C[6,6a](C[6,6a]N[6a]O[6])(C[6a]C[5a,6a]C)(C[6]C[6,6a]HH)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[5a,6a])(O[6]C[6,6a])	C[6,6a](C[6,6a]N[6a]O[6])(C[6a]C[5a,6a]C)(C[6]C[6,6a]HH){4|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(H)2{1|C<4>,1|N<2>,1|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[5a,6a])(O[6]C[6,6a]){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	120.3535	0.422	2	120.3535	0.178	2	120.3535	0.178	2	120.3535	0.178	2	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:1:1:	3:2:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:N[6a]-2:N[6]-3:	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]N[6a]N)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(N[6]C[6]C)	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]N[6a]N)(C[6]N[6]HH){1|C<3>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2{2|H<1>,2|N<2>,2|N<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(N[6]C[6]C){1|N<2>,2|N<3>,5|H<1>}	116.1080	0.000	1	116.1080	0.000	1	116.1080	0.000	1	118.6847	4.979	3	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:1:1:	3:2:3:	C[6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:N[6a]-2:C[6]-3:	C[6,6a](C[6a]C[5a,6a]C[5a])(C[6,6a]N[6a]C[6])(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[5a,6a])(C[6]C[6]C)	C[6,6a](C[6a]C[5a,6a]C[5a])(C[6,6a]N[6a]C[6])(C[6]N[6]HH){1|S<2>,2|C<4>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2{1|N<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[5a,6a])(C[6]C[6]C){2|C<3>,2|N<3>,4|H<1>}	119.9730	0.000	2	119.9730	0.000	2	119.9730	0.000	2	118.6847	4.979	3	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:1:1:	3:2:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:N[6a]-2:C[6]-4:	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]H)(C[6]N[6,6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6,6]HH)	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]H)(C[6]N[6,6]HH){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(H)2{1|N<2>,2|C<3>,2|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6,6]HH){1|N<3>,3|C<3>,4|H<1>}	119.7080	0.000	1	119.7080	0.000	1	119.7080	0.000	1	119.7080	0.000	1	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:1:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6,6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[5,6a]C)(C[6]C[6,6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]C)(O[6]C[6,6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[5,6a]C)(C[6]C[6,6]HH){1|C<4>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H)2{1|O<1>,1|O<2>,2|C<3>,3|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]C)(O[6]C[6,6]){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	121.0520	0.000	1	121.0520	0.000	1	121.0520	0.000	1	119.5255	3.869	85	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:1:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|O<1>,2|C<3>,4|H<1>}	119.4650	0.000	1	119.4650	0.000	1	120.3545	1.582	2	119.5255	3.869	85	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:1:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H)2{1|H<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){3|C<3>,4|H<1>}	121.2440	0.000	1	121.2440	0.000	1	120.3545	1.582	2	119.5255	3.869	85	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:1:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]HH){2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(H)2{1|H<1>,1|N<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|N<3>,2|C<3>,4|H<1>}	115.8145	0.699	2	115.8145	0.489	2	119.1685	7.202	6	119.5255	3.869	85	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:1:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(H)2{1|N<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|C<3>,1|N<3>,5|H<1>}	121.3620	0.000	1	120.8455	0.591	4	119.1685	7.202	6	119.5255	3.869	85	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:1:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|Cl<1>,1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(H)2{1|N<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|C<3>,1|N<3>,5|H<1>}	120.1020	0.000	1	120.8455	0.591	4	119.1685	7.202	6	119.5255	3.869	85	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:1:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(H)2{1|N<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|C<3>,1|N<3>,5|H<1>}	120.9590	0.963	2	120.8455	0.591	4	119.1685	7.202	6	119.5255	3.869	85	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:1:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|C<3>,4|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2{1|O<2>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6]){1|C<3>,1|N<3>,6|H<1>}	120.6150	0.024	2	120.6150	0.001	2	119.3153	3.670	59	119.5255	3.869	85	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:1:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|Br<1>,1|C<3>,1|H<1>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2{1|O<2>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|N<3>,6|H<1>}	119.0390	0.250	2	119.3687	0.280	17	119.3153	3.670	59	119.5255	3.869	85	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:1:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|C<3>,1|F<1>,1|H<1>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2{1|O<2>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|N<3>,6|H<1>}	119.7610	0.000	1	119.3687	0.280	17	119.3153	3.670	59	119.5255	3.869	85	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:1:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|C<3>,1|H<1>,1|I<1>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2{1|O<2>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|N<3>,6|H<1>}	119.2820	0.000	1	119.3687	0.280	17	119.3153	3.670	59	119.5255	3.869	85	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:1:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2{1|O<2>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|N<3>,6|H<1>}	119.2340	0.000	1	119.3687	0.280	17	119.3153	3.670	59	119.5255	3.869	85	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:1:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|C<3>,1|H<1>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2{1|O<2>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|N<3>,6|H<1>}	119.4687	0.429	6	119.3687	0.280	17	119.3153	3.670	59	119.5255	3.869	85	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:1:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2{1|O<2>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|N<3>,6|H<1>}	119.3450	1.276	2	119.3687	0.280	17	119.3153	3.670	59	119.5255	3.869	85	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:1:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|N<3>,1|O<1>,4|H<1>}	119.5030	0.000	1	119.3687	0.280	17	119.3153	3.670	59	119.5255	3.869	85	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:1:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|N<3>,1|O<1>,4|H<1>}	119.7820	0.065	2	119.3687	0.280	17	119.3153	3.670	59	119.5255	3.869	85	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:1:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|Cl<1>,1|C<3>,1|H<1>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2{1|O<2>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|N<3>,6|H<1>}	118.3440	0.000	1	119.3687	0.280	17	119.3153	3.670	59	119.5255	3.869	85	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:1:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2{1|O<2>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(O[6]C[6]){1|C<3>,1|N<3>,6|H<1>}	118.7455	0.484	2	118.7455	0.235	2	119.3153	3.670	59	119.5255	3.869	85	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:1:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HH){2|C<3>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(H)2{1|O<2>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6]){1|C<3>,1|N<3>,6|H<1>}	120.3090	0.177	2	120.3090	0.031	2	119.3153	3.670	59	119.5255	3.869	85	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:1:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(H)2{1|O<2>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|N<3>,2|C<3>,5|H<1>}	119.5330	0.000	1	117.1081	2.160	14	119.3153	3.670	59	119.5255	3.869	85	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:1:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(H)2{1|O<2>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|N<3>,6|H<1>}	119.8300	0.000	1	117.1081	2.160	14	119.3153	3.670	59	119.5255	3.869	85	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:1:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(H)2{1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|N<3>,1|O<1>,4|H<1>}	116.6792	1.070	12	117.1081	2.160	14	119.3153	3.670	59	119.5255	3.869	85	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:1:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]P[6])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]P[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|Br<1>,1|H<1>,1|P<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]P[6])(H)2{1|H<1>,1|O<2>,1|S<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]P[6]){1|N<3>,1|S<1>,2|C<3>,4|H<1>}	116.4170	0.000	1	119.3058	4.385	4	119.3153	3.670	59	119.5255	3.869	85	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:1:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]P[6])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]P[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|P<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]P[6])(H)2{1|H<1>,1|N<2>,1|O<1>,1|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]P[6]){1|N<3>,1|O<1>,2|C<3>,4|H<1>}	119.2260	0.000	1	119.3058	4.385	4	119.3153	3.670	59	119.5255	3.869	85	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:1:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]P[6])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]P[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|P<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]P[6])(H)2{1|H<1>,1|N<2>,1|O<1>,2|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]P[6]){1|C<3>,1|N<3>,1|O<1>,1|O<2>,4|H<1>}	120.3440	0.000	1	119.3058	4.385	4	119.3153	3.670	59	119.5255	3.869	85	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:1:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]P[6])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]P[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|P<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]P[6])(H)2{1|H<1>,1|O<1>,2|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]P[6]){1|C<3>,1|N<3>,1|O<1>,1|O<2>,4|H<1>}	121.2360	0.000	1	119.3058	4.385	4	119.3153	3.670	59	119.5255	3.869	85	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:1:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]P[6,6]C)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]P[6,6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|C<3>,1|C<4>,1|P<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]P[6,6]C)(H)2{1|H<1>,1|O<2>,2|C<3>,2|N<2>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]P[6,6]){1|C<3>,1|N<3>,2|N<2>,4|H<1>}	121.0126	1.706	14	121.0126	2.912	14	119.3153	3.670	59	119.5255	3.869	85	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:1:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]P[6,6]C[6a])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]P[6,6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|P<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]P[6,6]C[6a])(H)2{1|H<1>,1|O<2>,3|C<3>,3|N<2>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]P[6,6]){1|C<3>,1|N<3>,2|N<2>,4|H<1>}	121.4365	1.336	2	121.4365	1.784	2	119.3153	3.670	59	119.5255	3.869	85	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:1:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]P[6]C)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]P[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|P<4>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]P[6]C)(H)2{1|H<1>,1|O<1>,2|C<3>,2|O<2>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]P[6]){1|C<3>,1|N<3>,1|O<1>,1|O<2>,4|H<1>}	119.7480	0.000	1	118.6050	2.613	2	119.3153	3.670	59	119.5255	3.869	85	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:1:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]P[6]C)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]P[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|C<3>,1|C<4>,1|P<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]P[6]C)(H)2{1|H<1>,1|O<2>,2|C<3>,2|N<2>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]P[6]){1|C<3>,1|N<3>,2|N<2>,4|H<1>}	117.4620	0.000	1	118.6050	2.613	2	119.3153	3.670	59	119.5255	3.869	85	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:1:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6])	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2{1|H<1>,1|S<1>,1|S<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6]){1|C<3>,1|N<3>,1|S<1>,4|H<1>}	118.6290	0.000	1	118.6290	0.000	1	118.6290	0.000	1	119.5255	3.869	85	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:1:1:	3:3:2:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6,6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6,6]HH)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6])(H)2	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6,6]HH){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6])(H)2{1|C<4>,2|H<1>,2|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|O<2>,3|C<3>,4|H<1>}	120.6330	0.000	1	120.6330	0.000	1	120.6330	0.000	1	119.5255	3.869	85	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:1:1:	3:3:2:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6,6a]HH)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(H)2	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a])	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6,6a]HH){2|H<1>,5|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(H)2{1|C<4>,1|N<2>,1|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|N<2>,3|C<3>,3|H<1>}	121.1405	0.016	2	121.1405	0.000	2	121.1405	0.000	2	119.5255	3.869	85	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:1:1:	3:3:2:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]HH)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)2	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]HH){3|H<1>,4|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)2{1|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){3|H<1>,4|C<3>}	121.5300	0.000	1	121.5300	0.000	1	121.5300	0.000	1	119.5255	3.869	85	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:1:1:	3:3:2:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]N[6,6]HH)	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[6,6]C[6,6]P[6,6])(H)2	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]N[6,6]HH){1|C<4>,1|P<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[6,6]C[6,6]P[6,6])(H)2{1|H<1>,2|N<2>,2|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|N<3>,3|C<3>,4|H<1>}	119.1260	0.000	1	119.1260	0.000	1	119.1260	0.000	1	119.5255	3.869	85	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:1:1:	3:3:2:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6a]O[6])(C[6]N[6]HH)	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[6]C[6]C)(H)2	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6a]O[6])(C[6]N[6]HH){1|H<1>,3|C<3>,3|C<4>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[6]C[6]C)(H)2{1|O<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|N<3>,2|C<3>,5|H<1>}	118.0745	0.187	2	118.0745	0.035	2	120.0994	5.244	11	119.5255	3.869	85	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:1:1:	3:3:2:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]N[6]HH)	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[6]C[6]C)(H)2	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]N[6]HH){1|H<1>,2|C<4>,4|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[6]C[6]C)(H)2{1|O<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|N<3>,2|C<3>,5|H<1>}	116.7080	0.000	1	119.0946	1.857	5	120.0994	5.244	11	119.5255	3.869	85	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:1:1:	3:3:2:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]N[6]HH)	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[6]C[6]C)(H)2	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]N[6]HH){2|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[6]C[6]C)(H)2{1|O<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|N<3>,2|C<3>,5|H<1>}	119.6912	0.320	4	119.0946	1.857	5	120.0994	5.244	11	119.5255	3.869	85	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:1:1:	3:3:2:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]N[6]HH)	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[6]P[6,6]C[6a])(H)2	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]P[6,6])	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]N[6]HH){1|P<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[6]P[6,6]C[6a])(H)2{1|O<2>,3|N<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]P[6,6]){1|N<3>,2|C<3>,2|N<2>,3|H<1>}	121.1450	2.258	2	121.1450	5.101	2	120.0994	5.244	11	119.5255	3.869	85	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:1:1:	3:3:2:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]N[6]HH)	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[6]P[6,6]H)(H)2	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]P[6,6])	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]N[6]HH){1|P<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[6]P[6,6]H)(H)2{1|O<2>,2|N<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]P[6,6]){1|N<3>,2|C<3>,2|N<2>,3|H<1>}	123.5905	0.247	2	123.5905	0.061	2	120.0994	5.244	11	119.5255	3.869	85	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6,6]-3:C[6a]-3:	C[6,6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6]C[6a])(C[6]N[6]HH)	C[6](C[6,6a]C[5,6a]C[6,6a])(N[6]C[6,6]C)(H)2	C[6,6a](C[6,6a]C[5,6a]C[6])(C[6,6]C[6,6]C[6])(C[6a]C[6a]H)	C[6,6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6]C[6a])(C[6]N[6]HH){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[6](C[6,6a]C[5,6a]C[6,6a])(N[6]C[6,6]C)(H)2{1|H<1>,1|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[5,6a]C[6])(C[6,6]C[6,6]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,5|H<1>}	118.9660	0.000	1	118.9660	0.000	1	118.9660	0.000	1	119.4989	2.451	103	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[5,6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[5,6a]C[5,6a]O[5])(C[6]N[6]HH)	C[6](C[6,6a]C[5,6a]C[6,6a])(N[6]C[6,6a]C)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[5,6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[5,6a]C[5,6a]O[5])(C[6]N[6]HH){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[6](C[6,6a]C[5,6a]C[6,6a])(N[6]C[6,6a]C)(H)2{1|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[5,6a]C[6])(C[6a]C[6a]H){1|N<3>,1|O<2>,3|C<3>,4|H<1>}	118.5960	0.023	2	118.5960	0.001	2	118.5960	0.001	2	119.4989	2.451	103	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:F-1:F-1:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6,6a]C[6,6a]C[6])(C[6]C[6]FF)	C[6](C[6,6a]C[6,6a]2)(C[6]C[5a,6]O)(F)2	C[6,6a](C[5a,6]C[5a,6]O[5a])(C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6,6a]C[6,6a]C[6])(C[6]C[6]FF){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]2)(C[6]C[5a,6]O)(F)2{1|C<4>,4|C<3>}	C[6,6a](C[5a,6]C[5a,6]O[5a])(C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H){1|C<4>,1|H<1>,2|F<1>,4|C<3>}	117.7200	0.000	1	117.7200	0.000	1	117.7200	0.000	1	119.4989	2.451	103	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6]-4:	N[6,6]-3:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:N[6,6]-3:	C[6,6a](C[6,6a]C[6,6a]N[6,6])2(C[6]N[6,6]HH)	C[6](N[6,6]C[6,6a]C[6,6])(C[6,6a]C[6,6a]2)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6])2(N[6,6]C[6,6]C[6])	C[6,6a](C[6,6a]C[6,6a]N[6,6])2(C[6]N[6,6]HH){2|C<3>,6|C<4>}	C[6](N[6,6]C[6,6a]C[6,6])(C[6,6a]C[6,6a]2)(H)2{2|H<1>,2|N<3>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6])2(N[6,6]C[6,6]C[6]){2|C<3>,4|N<3>,8|H<1>}	120.6292	0.315	12	120.6292	0.099	12	120.6292	0.099	12	119.4989	2.451	103	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]C)(C[6]C[6,6a]HH)	C[6](C[6,6a]C[6,6a]C[6a])2(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6,6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]C)(C[6]C[6,6a]HH){1|O<1>,1|O<2>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(H)2{1|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6,6a]O){2|H<1>,5|C<3>}	120.0120	0.000	1	120.0120	0.000	1	120.5654	0.268	5	119.4989	2.451	103	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6,6a]HH)	C[6](C[6,6a]C[6,6a]C[6a])2(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6,6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6,6a]HH){1|H<1>,1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(H)2{2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6,6a]O){3|H<1>,4|C<3>}	120.7037	0.479	4	120.7037	0.229	4	120.5654	0.268	5	119.4989	2.451	103	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:F-1:F-1:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]FF)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]N)(F)2	C[6,6a](C[5a,6]N[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]FF){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]N)(F)2{1|H<1>,4|C<3>}	C[6,6a](C[5a,6]N[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|F<1>,3|H<1>,4|C<3>}	119.7930	0.000	1	119.7930	0.000	1	119.7930	0.000	1	119.4989	2.451	103	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]O)(H)2	C[6,6a](C[5a,6]N[5a,6]N[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,1|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]O)(H)2{1|H<1>,4|C<3>}	C[6,6a](C[5a,6]N[5a,6]N[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){4|C<3>,4|H<1>}	120.4425	0.490	2	120.4425	0.240	2	120.4425	0.240	2	119.4989	2.451	103	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]HH){2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,2|C<3>,4|H<1>}	117.8620	0.000	1	117.8620	0.000	1	120.4388	1.178	12	119.4989	2.451	103	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(H)2{1|H<1>,1|S<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]N[6]O){1|S<4>,2|C<3>,4|H<1>}	121.6840	0.000	1	121.6840	0.000	1	120.4388	1.178	12	119.4989	2.451	103	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Cl)(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|Cl<1>,1|C<3>,1|H<1>,1|N<3>,2|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(H)2{1|H<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Cl)(C[6]N[6]O){1|O<2>,2|C<3>,4|H<1>}	121.1990	0.000	1	121.1990	0.000	1	120.4388	1.178	12	119.4989	2.451	103	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]N)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|N<2>,1|N<3>,1|O<1>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]N){1|C<4>,2|C<3>,4|H<1>}	118.9770	0.000	1	118.9770	0.000	1	120.4388	1.178	12	119.4989	2.451	103	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|N<3>,2|H<1>,2|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<4>,2|C<3>,4|H<1>}	120.4707	0.260	3	120.6930	0.220	8	120.4388	1.178	12	119.4989	2.451	103	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|N<3>,2|H<1>,2|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(H)2{1|H<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O){1|O<2>,2|C<3>,4|H<1>}	121.1530	0.398	3	120.6930	0.220	8	120.4388	1.178	12	119.4989	2.451	103	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|N<3>,2|H<1>,2|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(H)2{1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O){3|C<3>,4|H<1>}	120.3365	0.230	2	120.6930	0.220	8	120.4388	1.178	12	119.4989	2.451	103	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]O)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]O)(C[6]C[6]HH){1|C<2>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)2{1|N<3>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]H){1|O<2>,3|C<3>,3|H<1>}	120.2320	0.000	1	120.2320	0.000	1	120.2320	0.000	1	119.4989	2.451	103	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[5,6a]H)(C[6]N[6,6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[5,6a]H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[5,6a]H)(C[6]N[6,6]HH){1|H<1>,2|C<4>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2{1|N<3>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[5,6a]H){1|C<4>,1|N<3>,2|C<3>,7|H<1>}	120.4455	0.457	2	120.4455	0.209	2	120.3414	0.114	5	119.4989	2.451	103	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a,6a]H)(C[6]N[6,6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a,6a]H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a,6a]H)(C[6]N[6,6]HH){1|H<1>,2|C<4>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2{1|N<3>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a,6a]H){1|N<3>,3|C<3>,7|H<1>}	120.2720	0.325	3	120.2720	0.105	3	120.3414	0.114	5	119.4989	2.451	103	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6a,6a]-3:C[6,6a]-3:N[6,6]-3:	C[6,6a](C[6,6a]C[6a,6a]N[6,6])(C[6a]C[6,6a]H)(C[6]N[6,6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2	C[6,6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])	C[6,6a](C[6,6a]C[6a,6a]N[6,6])(C[6a]C[6,6a]H)(C[6]N[6,6]HH){2|C<4>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2{1|N<3>,3|H<1>,4|C<3>}	C[6,6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6]){1|N<3>,4|C<3>,8|H<1>}	121.0088	0.431	5	121.0088	0.185	5	121.0088	0.185	5	119.4989	2.451	103	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]C)(H)2	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]HH){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]C)(H)2{1|H<1>,4|C<3>}	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,4|C<3>,5|H<1>}	118.1990	0.000	1	118.1990	0.000	1	118.1990	0.000	1	119.4989	2.451	103	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]O)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5a,6]C)(H)2	C[6,6a](C[5a,6]C[5a,6]S[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]O)(C[6]N[6]HH){1|S<2>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5a,6]C)(H)2{1|O<2>,4|C<3>}	C[6,6a](C[5a,6]C[5a,6]S[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,1|O<2>,3|C<3>,3|H<1>}	120.3370	0.000	1	120.3370	0.000	1	120.3370	0.000	1	119.4989	2.451	103	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[5,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6a]C[5,6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]S)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[5,6a]C[5,6a]C[5])(C[6,6a]C[6a]C[6])	C[6,6a](C[6,6a]C[5,6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]HH){1|C<4>,1|H<1>,1|S<4>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]S)(H)2{1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[5,6a]C[5,6a]C[5])(C[6,6a]C[6a]C[6]){1|C<4>,1|N<3>,1|O<2>,3|C<3>,6|H<1>}	118.3120	0.571	2	118.3120	0.326	2	118.3120	0.326	2	119.4989	2.451	103	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]H)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]H)(C[6]N[6]HH){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C)(H)2{1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H){1|N<3>,4|C<3>,4|H<1>}	119.8170	0.441	2	119.8170	0.195	2	117.5254	1.358	17	119.4989	2.451	103	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]B[5])(H)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]N[6]HH){1|B<3>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]B[5])(H)2{1|H<1>,2|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,3|C<3>,5|H<1>}	117.3690	0.195	2	117.3690	0.038	2	117.5254	1.358	17	119.4989	2.451	103	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]N[6]HH){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C)(H)2{1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,1|O<2>,3|C<3>,4|H<1>}	116.9237	0.741	3	116.8530	0.357	8	117.5254	1.358	17	119.4989	2.451	103	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]N[6]HH){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C)(H)2{1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,3|C<3>,5|H<1>}	117.8450	0.000	1	116.8530	0.357	8	117.5254	1.358	17	119.4989	2.451	103	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]N[6]HH){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C)(H)2{1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|N<3>,3|C<3>,4|H<1>}	116.5520	0.121	4	116.8530	0.357	8	117.5254	1.358	17	119.4989	2.451	103	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]S)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]N[6]HH){1|S<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]S)(H)2{1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,3|C<3>,5|H<1>}	118.5203	0.214	3	118.5203	0.046	3	117.5254	1.358	17	119.4989	2.451	103	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]S)(H)2	C[6,6a](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]N[6]HH){1|S<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]S)(H)2{1|H<1>,1|N<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<2>,1|N<3>,3|C<3>,4|H<1>}	116.6390	0.000	1	116.6390	0.000	1	117.5254	1.358	17	119.4989	2.451	103	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]O)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]O)(C[6]N[6]HH){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C)(H)2{1|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,1|O<2>,3|C<3>,4|H<1>}	116.5350	0.000	1	116.5350	0.000	1	117.5254	1.358	17	119.4989	2.451	103	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]B[5]C[6])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]B[5]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH){2|B<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]B[5]C[6])(H)2{2|H<1>,2|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]B[5]C[6])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|O<2>,5|H<1>}	117.9930	0.000	1	117.9930	0.000	1	120.2445	2.389	4	119.4989	2.451	103	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]C[6a])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]C[6a])(H)2{1|C<4>,1|H<1>,1|N<3>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|N<3>,4|H<1>}	121.0410	0.000	1	120.7815	0.135	2	120.2445	2.389	4	119.4989	2.451	103	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]C[6a])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]C[6a])(H)2{1|C<4>,1|H<1>,1|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	120.5220	0.000	1	120.7815	0.135	2	120.2445	2.389	4	119.4989	2.451	103	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2{2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<2>,3|C<3>,4|H<1>}	121.4220	0.000	1	121.4220	0.000	1	120.2445	2.389	4	119.4989	2.451	103	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6,6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]H)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]S)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]H)(C[6]N[6]HH){1|S<4>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]S)(H)2{1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6]){1|N<3>,4|H<1>,6|C<3>}	117.2730	0.000	1	117.2730	0.000	1	117.2730	0.000	1	119.4989	2.451	103	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2{3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<3>,1|N<3>,6|H<1>}	121.2330	0.000	1	119.3725	6.923	2	117.9741	4.417	7	119.4989	2.451	103	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2{1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C){1|N<3>,2|C<3>,4|H<1>}	117.5120	0.000	1	119.3725	6.923	2	117.9741	4.417	7	119.4989	2.451	103	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH){3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2{1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|N<3>,2|C<3>,4|H<1>}	116.5855	0.022	2	116.5855	0.000	2	117.9741	4.417	7	119.4989	2.451	103	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]Mg)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|Mg<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]Mg)(H)2{2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<3>,1|N<3>,5|H<1>}	116.5645	0.022	2	116.5645	0.000	2	117.9741	4.417	7	119.4989	2.451	103	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|C<2>,1|C<3>,1|C<4>,1|S<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(H)2{3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<3>,1|N<3>,6|H<1>}	120.7740	0.000	1	120.7740	0.000	1	117.9741	4.417	7	119.4989	2.451	103	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[3]C[6])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[3]C[6])(H)2{1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|N<3>,2|C<3>,4|H<1>}	119.3550	0.000	1	119.3550	0.000	1	119.8642	1.202	13	119.4989	2.451	103	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]2)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Br)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]HH){2|Br<1>,1|C<3>,1|H<1>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]2)(H)2{1|N<3>,2|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Br)(N[6]C[6]H){1|N<3>,2|C<3>,5|H<1>}	118.4140	0.000	1	118.4140	0.000	1	119.8642	1.202	13	119.4989	2.451	103	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]2)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]HH){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]2)(H)2{1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|N<3>,5|H<1>}	119.7470	0.000	1	119.7470	0.000	1	119.8642	1.202	13	119.4989	2.451	103	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]HH){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2{1|Rh<6>,1|H<1>,1|N<3>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|Rh<6>,1|C<3>,1|N<3>,4|H<1>}	121.2020	0.000	1	121.2020	0.000	1	119.8642	1.202	13	119.4989	2.451	103	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]HH){3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2{1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|N<3>,1|O<1>,4|H<1>}	120.4810	0.000	1	120.4810	0.000	1	119.8642	1.202	13	119.4989	2.451	103	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]Ru)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|Ru<9>,1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2{1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]Ru){1|C<3>,1|N<3>,5|H<1>}	121.5820	0.000	1	121.5820	0.000	1	119.8642	1.202	13	119.4989	2.451	103	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|C<3>,1|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(H)2{1|N<3>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|N<3>,2|C<3>,5|H<1>}	118.9040	0.000	1	119.9365	2.132	2	119.8642	1.202	13	119.4989	2.451	103	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]HH){2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(H)2{1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|N<3>,5|H<1>}	120.9690	0.000	1	119.9365	2.132	2	119.8642	1.202	13	119.4989	2.451	103	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|C<3>,1|C<4>,1|S<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(H)2{1|N<3>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|N<3>,2|C<3>,5|H<1>}	120.1710	0.484	3	120.1710	0.234	3	119.8642	1.202	13	119.4989	2.451	103	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|Cl<1>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(H)2{1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|N<3>,1|O<1>,4|H<1>}	119.0300	0.000	1	118.5340	0.492	2	119.8642	1.202	13	119.4989	2.451	103	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]HH){3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(H)2{1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|N<3>,1|O<1>,4|H<1>}	118.0380	0.000	1	118.5340	0.492	2	119.8642	1.202	13	119.4989	2.451	103	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]C)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]HH){1|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]C)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,2|N<3>,7|H<1>}	118.8670	0.000	1	118.8670	0.000	1	119.3493	0.370	3	119.4989	2.451	103	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]C[6a])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]HH){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]C[6a])(H)2{1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,7|H<1>}	119.5905	0.626	2	119.5905	0.392	2	119.3493	0.370	3	119.4989	2.451	103	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]C)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]HH){1|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]C)(H)2{1|N<3>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,7|H<1>}	120.2320	0.000	1	120.2320	0.000	1	120.4740	0.117	2	119.4989	2.451	103	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]C[6a])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]HH){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]C[6a])(H)2{1|N<3>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,7|H<1>}	120.7160	0.000	1	120.7160	0.000	1	120.4740	0.117	2	119.4989	2.451	103	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]2)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(H)2	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]2)(C[6]N[6]HH){1|S<4>,2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(H)2{1|C<4>,4|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[6]H){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	117.4190	0.000	1	117.4190	0.000	1	117.4190	0.000	1	119.4989	2.451	103	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:S[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]S[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]O)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]S[6]HH){2|C<3>,2|H<1>,2|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]O)(H)2{1|H<1>,1|N<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|C<4>,1|N<2>,1|S<3>,3|H<1>}	121.7160	0.000	1	121.7160	0.000	1	121.7160	0.000	1	119.4989	2.451	103	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]N[6,6]C[6a])(C[6]N[6,6]HH)	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[6,6]C[6,6a]C[6,6])(H)2	C[6,6a](C[6,6a]C[6a,6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]N[6,6]C[6a])(C[6]N[6,6]HH){2|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[6,6]C[6,6a]C[6,6])(H)2{1|N<3>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){1|N<3>,3|C<3>,7|H<1>}	119.2257	0.400	3	119.2257	0.160	3	119.2257	0.160	3	119.4989	2.451	103	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]Br)(C[6]C[6,6a]HH)	C[6](C[6,6a]C[6,6a]C[6a])2(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]Pd)(C[6]C[6,6a]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]Br)(C[6]C[6,6a]HH){1|Pd<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(H)2{1|Br<1>,1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]Pd)(C[6]C[6,6a]HH){1|Br<1>,2|H<1>,4|C<3>}	117.4510	0.000	1	117.4510	0.000	1	119.1577	6.340	4	120.4292	4.501	94	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6,6a]HH)	C[6](C[6,6a]C[6,6a]C[6a])2(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6,6a]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6,6a]HH){3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(H)2{1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6,6a]HH){3|H<1>,4|C<3>}	121.2460	1.134	2	121.2460	1.286	2	119.1577	6.340	4	120.4292	4.501	94	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]Pd)(C[6]C[6,6a]HH)	C[6](C[6,6a]C[6,6a]C[6a])2(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]Br)(C[6]C[6,6a]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]Pd)(C[6]C[6,6a]HH){1|Br<1>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(H)2{1|Pd<4>,1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]Br)(C[6]C[6,6a]HH){1|Pd<4>,2|H<1>,4|C<3>}	116.6880	0.000	1	116.6880	0.000	1	119.1577	6.340	4	120.4292	4.501	94	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]HH){1|O<2>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH){3|C<3>,4|H<1>}	119.3130	0.000	1	119.3130	0.000	1	121.0706	2.180	17	120.4292	4.501	94	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){3|C<3>,4|H<1>}	121.4503	0.394	6	121.4503	0.155	6	121.0706	2.180	17	120.4292	4.501	94	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2H){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	121.4770	0.000	1	121.4770	0.000	1	121.0706	2.180	17	120.4292	4.501	94	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC){2|C<3>,5|H<1>}	121.8480	0.000	1	121.8480	0.000	1	121.0706	2.180	17	120.4292	4.501	94	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|O<2>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH){3|C<3>,4|H<1>}	121.0265	0.515	2	121.0265	0.266	2	121.0706	2.180	17	120.4292	4.501	94	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]N)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|N<2>,1|N<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]N)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH){3|C<3>,4|H<1>}	117.2620	0.000	1	117.2620	0.000	1	121.0706	2.180	17	120.4292	4.501	94	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(H)2{1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|S<4>,2|C<3>,4|H<1>}	118.3580	0.000	1	118.3580	0.000	1	121.0706	2.180	17	120.4292	4.501	94	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH){3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]HH){1|O<2>,2|C<3>,4|H<1>}	123.2520	0.000	1	123.2520	0.000	1	121.0706	2.180	17	120.4292	4.501	94	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH){3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|O<2>,2|C<3>,4|H<1>}	122.0320	0.003	2	122.0320	0.000	2	121.0706	2.180	17	120.4292	4.501	94	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|O<2>,2|C<3>,5|H<1>}	121.8710	0.000	1	121.8710	0.000	1	121.0706	2.180	17	120.4292	4.501	94	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)2	C[6,6a](C[6a,6a]C[6a,6a]O[6a])(C[6,6a]C[6a]C[6])(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|O<2>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6a,6a]C[6a,6a]O[6a])(C[6,6a]C[6a]C[6])(C[6]C[6]HH){4|C<3>,4|H<1>}	120.7850	0.000	1	120.7850	0.000	1	120.7850	0.000	1	120.4292	4.501	94	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]N[5,6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[5,6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]N[5,6]HH){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2{1|H<1>,1|O<1>,3|C<3>,3|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[5,6]HH){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	120.3160	0.000	1	120.3160	0.000	1	121.0055	0.951	2	120.4292	4.501	94	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]N[5,6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[5,6]HS)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]N[5,6]HH){1|C<4>,1|S<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[5,6]HS){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	121.6950	0.000	1	121.6950	0.000	1	121.0055	0.951	2	120.4292	4.501	94	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[6]CC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]N[6]HH){1|C<4>,1|H<1>,1|O<2>,1|S<4>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[6]CC){1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	123.2660	0.000	1	123.2660	0.000	1	120.4659	4.152	55	120.4292	4.501	94	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]Br)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]N[6]HH){1|Br<1>,1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]Br)(C[6]C[6]HH){1|N<3>,2|C<3>,5|H<1>}	121.3292	0.822	5	121.3292	0.676	5	120.4659	4.152	55	120.4292	4.501	94	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]I)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]N[6]HH){1|C<4>,1|I<1>,1|S<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]I)(C[6]C[6]HH){1|N<3>,2|C<3>,5|H<1>}	121.9750	0.000	1	121.9750	0.000	1	120.4659	4.152	55	120.4292	4.501	94	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]2)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]2)(C[6]N[6]HH){2|C<2>,2|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]HH){2|C<3>,2|N<3>,4|H<1>}	120.0030	0.000	1	120.0030	0.000	1	120.4659	4.152	55	120.4292	4.501	94	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Br)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Br)(C[6]N[6]HH){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2{1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|Br<1>,1|C<3>,1|N<3>,1|O<2>,4|H<1>}	121.2950	0.000	1	121.2950	0.000	1	120.4659	4.152	55	120.4292	4.501	94	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5]C[6])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5]C[6])(H)2{2|C<3>,3|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|N<3>,6|H<1>}	121.2933	0.222	4	120.3900	4.116	5	120.4659	4.152	55	120.4292	4.501	94	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5]C[6])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5]C[6])(H)2{1|C<4>,1|N<2>,1|O<2>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|N<3>,6|H<1>}	116.7770	0.000	1	120.3900	4.116	5	120.4659	4.152	55	120.4292	4.501	94	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|N<3>,6|H<1>}	120.9630	0.000	1	120.9630	0.000	1	120.4659	4.152	55	120.4292	4.501	94	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]FH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|C<4>,1|F<1>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]FH){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	121.6580	0.000	1	121.6580	0.000	1	120.4659	4.152	55	120.4292	4.501	94	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|N<3>,1|O<2>,5|H<1>}	120.7875	1.473	2	120.0799	5.128	19	120.4659	4.152	55	120.4292	4.501	94	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|N<3>,1|O<2>,5|H<1>}	121.0850	0.000	1	120.0799	5.128	19	120.4659	4.152	55	120.4292	4.501	94	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|N<3>,6|H<1>}	121.0930	0.000	1	120.0799	5.128	19	120.4659	4.152	55	120.4292	4.501	94	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,2|C<3>,5|H<1>}	121.1493	0.329	3	120.0799	5.128	19	120.4659	4.152	55	120.4292	4.501	94	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|N<3>,1|O<2>,5|H<1>}	122.6240	0.000	1	120.0799	5.128	19	120.4659	4.152	55	120.4292	4.501	94	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,1|O<2>,2|C<3>,4|H<1>}	116.5660	0.000	1	120.0799	5.128	19	120.4659	4.152	55	120.4292	4.501	94	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|N<3>,6|H<1>}	121.2203	1.719	6	120.0799	5.128	19	120.4659	4.152	55	120.4292	4.501	94	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,2|C<3>,5|H<1>}	116.9513	0.981	4	120.0799	5.128	19	120.4659	4.152	55	120.4292	4.501	94	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|C<3>,1|C<4>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,2|C<3>,5|H<1>}	120.5783	1.014	6	120.6465	0.776	8	120.4659	4.152	55	120.4292	4.501	94	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|C<3>,1|C<4>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	120.8510	0.421	2	120.6465	0.776	8	120.4659	4.152	55	120.4292	4.501	94	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]N)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|C<3>,1|C<4>,1|N<2>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]N)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|N<3>,6|H<1>}	121.5300	0.000	1	121.5300	0.000	1	120.4659	4.152	55	120.4292	4.501	94	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|C<3>,1|O<2>,1|S<4>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CO){1|N<3>,2|C<3>,5|H<1>}	122.7770	0.000	1	122.7770	0.000	1	120.4659	4.152	55	120.4292	4.501	94	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|C<3>,1|C<4>,1|S<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|N<3>,6|H<1>}	121.5323	0.603	3	120.5070	7.621	5	120.4659	4.152	55	120.4292	4.501	94	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|C<3>,1|C<4>,1|S<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,2|C<3>,5|H<1>}	118.9690	4.677	2	120.5070	7.621	5	120.4659	4.152	55	120.4292	4.501	94	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(H)2{1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|N<3>,1|O<1>,4|H<1>}	116.3275	0.241	2	116.3275	0.058	2	120.4659	4.152	55	120.4292	4.501	94	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(H)2{1|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|N<3>,6|H<1>}	122.0750	0.000	1	119.6635	11.631	2	120.4659	4.152	55	120.4292	4.501	94	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH){3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(H)2{1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|N<2>,1|N<3>,4|H<1>}	117.2520	0.000	1	119.6635	11.631	2	120.4659	4.152	55	120.4292	4.501	94	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]N[6]HH){1|C<3>,1|C<4>,1|O<2>,1|S<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,1|O<2>,2|C<3>,4|H<1>}	122.3550	0.000	1	122.3550	0.000	1	120.4659	4.152	55	120.4292	4.501	94	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]C)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(H)2	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[6]CH)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]C)(C[6]N[6]HH){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[6]CH){1|N<3>,4|C<3>,5|H<1>}	122.5857	0.501	3	122.5857	0.251	3	121.7878	2.172	6	120.4292	4.501	94	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(H)2	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|C<2>,1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[6]HH){1|N<3>,3|C<3>,6|H<1>}	122.0340	0.000	2	122.0340	0.000	2	121.7878	2.172	6	120.4292	4.501	94	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]N[6a])(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2	C[6,6a](C[6a,6a]C[6a,6a]2)(C[6,6a]C[6a]C[6])(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]N[6a])(C[6]N[6]HH){1|C<4>,2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6,6a](C[6a,6a]C[6a,6a]2)(C[6,6a]C[6a]C[6])(C[6]C[6]HH){1|N<2>,1|N<3>,4|C<3>,4|H<1>}	118.9020	0.000	1	118.9020	0.000	1	121.7878	2.172	6	120.4292	4.501	94	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:S[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]S[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(S[6]S[6]O)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]S[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]S[6]HH){1|C<3>,1|O<1>,1|S<2>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(S[6]S[6]O)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]S[6]HH){1|C<3>,1|S<3>,4|H<1>}	119.3890	0.000	1	119.3890	0.000	1	119.3890	0.000	1	120.4292	4.501	94	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:1:1:	3:3:4:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6a,6a]C[6a,6a]O[6a])(C[6,6a]C[6a]C[6])(C[6]C[6]HH)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)2	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6a,6a]C[6a,6a]O[6a])(C[6,6a]C[6a]C[6])(C[6]C[6]HH){4|C<3>,4|H<1>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|O<2>,2|C<3>,4|H<1>}	122.2990	0.000	1	122.2990	0.000	1	122.2990	0.000	1	120.4292	4.501	94	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:1:1:	3:3:4:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]C[6])(C[6]N[5,6]HH)	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[5,6]C[5,6]C[5])(H)2	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]C[6])(C[6]C[5,6]HH)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]C[6])(C[6]N[5,6]HH){2|C<4>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[5,6]C[5,6]C[5])(H)2{3|C<3>,3|C<4>,3|H<1>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]C[6])(C[6]C[5,6]HH){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	121.3210	0.000	1	121.3210	0.000	1	121.3210	0.000	1	120.4292	4.501	94	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:1:1:	3:3:4:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]C[6])(C[6]N[6,6]HH)	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[6,6]C[6,6]C[6])(H)2	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]C[6])(C[6]C[6,6]HH)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]C[6])(C[6]N[6,6]HH){2|C<4>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[6,6]C[6,6]C[6])(H)2{3|C<3>,3|C<4>,3|H<1>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]C[6])(C[6]C[6,6]HH){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	120.6865	0.045	2	120.6865	0.002	2	120.6865	0.002	2	120.4292	4.501	94	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:1:1:	3:3:4:	C[6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6,6a]-3:H-1:H-1:	C[6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a](C[6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]HH)	C[6](C[6,6a]C[6,6a]C[6a])2(H)2	C[6,6a](C[6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]HH)	C[6,6a](C[6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]HH){2|H<1>,7|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(H)2{1|C<4>,6|C<3>}	C[6,6a](C[6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]HH){2|H<1>,7|C<3>}	115.4970	0.379	4	115.4970	0.144	4	115.4970	0.144	4	120.4292	4.501	94	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:1:1:	3:4:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:N[6a]-2:	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]N[6a]C)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]HH)(N[6a]C[6a])	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]N[6a]C)(C[6]N[6]HH){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>,2|N<2>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]HH)(N[6a]C[6a]){1|Cl<1>,1|C<3>,1|N<2>,1|N<3>,4|H<1>}	121.0110	0.000	1	121.0110	0.000	1	121.0110	0.000	1	121.0110	0.000	1	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:1:1:	3:4:3:	C[5,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6a]C[6])(C[6]N[6,6]HH)	C[6](C[6,6a]C[5,6a]C[6,6a])(N[6,6]C[6,6]C[6])(H)2	C[6,6a](C[6,6a]C[5,6a]C[6])(C[6]C[6,6]CH)(C[6a]C[6a]H)	C[6,6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6a]C[6])(C[6]N[6,6]HH){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[6](C[6,6a]C[5,6a]C[6,6a])(N[6,6]C[6,6]C[6])(H)2{1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[5,6a]C[6])(C[6]C[6,6]CH)(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,4|H<1>}	122.2840	0.000	1	122.2840	0.000	1	122.1647	0.285	3	119.9141	7.097	31	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:1:1:	3:4:3:	C[5,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6a]C[6])(C[6]N[6,6]HH)	C[6](C[6,6a]C[5,6a]C[6,6a])(N[6,6]C[6,6]C[6])(H)2	C[6,6a](C[6,6a]C[5,6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6,6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6a]C[6])(C[6]N[6,6]HH){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[6,6a]C[5,6a]C[6,6a])(N[6,6]C[6,6]C[6])(H)2{1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[5,6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,4|H<1>}	122.1050	0.741	2	122.1050	0.549	2	122.1647	0.285	3	119.9141	7.097	31	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:1:1:	3:4:3:	C[5,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6]C[6a])(C[6]N[6]HH)	C[6](C[6,6a]C[5,6a]C[6,6a])(N[6]C[6,6]C)(H)2	C[6,6a](C[6,6a]C[5,6a]C[6])(C[6,6]C[6,6]C[6]C)(C[6a]C[6a]H)	C[6,6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6]C[6a])(C[6]N[6]HH){1|H<1>,1|O<2>,2|C<3>,4|C<4>}	C[6](C[6,6a]C[5,6a]C[6,6a])(N[6]C[6,6]C)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[5,6a]C[6])(C[6,6]C[6,6]C[6]C)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	123.4020	0.000	1	123.4020	0.000	1	122.6615	1.097	2	119.9141	7.097	31	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:1:1:	3:4:3:	C[5,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6]C[6a])(C[6]N[6]HH)	C[6](C[6,6a]C[5,6a]C[6,6a])(N[6]C[6,6]H)(H)2	C[6,6a](C[6,6a]C[5,6a]C[6])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]H)	C[6,6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6]C[6a])(C[6]N[6]HH){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[6,6a]C[5,6a]C[6,6a])(N[6]C[6,6]H)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[5,6a]C[6])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,2|O<2>,5|H<1>}	121.9210	0.000	1	121.9210	0.000	1	122.6615	1.097	2	119.9141	7.097	31	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:1:1:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]C[5,6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[6]HH){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(H)2{1|C<4>,1|H<1>,1|S<3>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]C[5,6a]H){1|O<2>,1|S<3>,3|H<1>,4|C<3>}	118.8053	0.372	4	118.8053	0.138	4	117.7958	0.770	13	119.9141	7.097	31	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:1:1:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(H)2{1|C<4>,1|H<1>,1|S<3>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H){1|S<3>,4|C<3>,4|H<1>}	117.6470	0.000	1	117.6470	0.000	1	117.7958	0.770	13	119.9141	7.097	31	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:1:1:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]O)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]O[6]C)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,1|H<1>,1|O<1>,2|C<3>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]O)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]O[6]C)(C[6a]C[6a]H){1|O<2>,3|H<1>,4|C<3>}	117.5060	0.197	2	117.5060	0.039	2	117.7958	0.770	13	119.9141	7.097	31	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:1:1:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]O)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]O[6]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|O<1>,2|C<3>,2|H<1>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]O)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]O[6]H)(C[6a]C[6a]H){1|O<2>,3|H<1>,4|C<3>}	117.3167	0.347	4	117.3167	0.121	4	117.7958	0.770	13	119.9141	7.097	31	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:1:1:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]O)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]O[6]H)(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|H<1>,1|O<1>,2|C<3>,3|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]O)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]O[6]H)(C[6a]C[6a]O){1|O<2>,3|H<1>,4|C<3>}	118.1650	0.000	1	118.1650	0.000	1	117.7958	0.770	13	119.9141	7.097	31	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:1:1:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]O)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]O[6]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH){1|O<1>,2|C<3>,2|H<1>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]O)(H)2{1|C<4>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]O[6]H)(C[6a]C[6a]H){1|O<2>,3|H<1>,4|C<3>}	116.0330	0.000	1	116.0330	0.000	1	117.7958	0.770	13	119.9141	7.097	31	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:1:1:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[5,6a]H)(C[6]N[5,6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]2)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[5,6]C[5,6]2H)(C[6a]C[5,6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[5,6a]H)(C[6]N[5,6]HH){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]2)(H)2{2|C<3>,3|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[5,6]C[5,6]2H)(C[6a]C[5,6a]H){1|C<4>,1|N<3>,2|C<3>,2|O<2>,5|H<1>}	120.2010	0.000	1	119.8677	0.167	3	119.8677	0.167	3	119.9141	7.097	31	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:1:1:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[5,6a]H)(C[6]N[5,6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]2)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[5,6]C[5,6]2H)(C[6a]C[5,6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[5,6a]H)(C[6]N[5,6]HH){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]2)(H)2{2|C<4>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[5,6]C[5,6]2H)(C[6a]C[5,6a]H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,5|H<1>}	119.7010	0.410	2	119.8677	0.167	3	119.8677	0.167	3	119.9141	7.097	31	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:1:1:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6,6]C[6]3)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]HH){1|C<3>,1|S<4>,2|H<1>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6,6]C[6]3)(C[6a]C[6a]H){10|H<1>,1|C<3>,1|N<3>,2|C<4>}	122.0975	0.354	2	122.0975	0.126	2	121.9923	0.096	3	119.9141	7.097	31	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:1:1:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6,6]C[6]3)(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]HH){1|C<3>,1|S<4>,2|O<2>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6,6]C[6]3)(C[6a]C[6a]O){10|H<1>,1|C<4>,1|N<3>,2|C<3>}	121.7820	0.000	1	121.7820	0.000	1	121.9923	0.096	3	119.9141	7.097	31	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:1:1:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]C)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]C)(H)2{1|H<1>,2|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	117.1110	0.000	1	117.1110	0.000	1	120.0745	6.383	6	119.9141	7.097	31	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:1:1:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]C)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]C)(H)2{1|H<1>,2|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	116.5580	0.000	1	116.5580	0.000	1	120.0745	6.383	6	119.9141	7.097	31	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:1:1:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]2)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]2)(H)2{2|C<3>,3|H<1>,4|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	121.3270	0.000	1	121.3270	0.000	1	120.0745	6.383	6	119.9141	7.097	31	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:1:1:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	122.0020	0.000	1	121.7935	0.087	2	120.0745	6.383	6	119.9141	7.097	31	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:1:1:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	121.5850	0.000	1	121.7935	0.087	2	120.0745	6.383	6	119.9141	7.097	31	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:1:1:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(H)2{1|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]O)(C[6a]C[6a]H){1|N<3>,3|C<3>,6|H<1>}	121.8640	0.000	1	121.8640	0.000	1	120.0745	6.383	6	119.9141	7.097	31	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:1:1:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:P[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]P[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]Ge[6])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(P[6]C[6a]2Ge[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]P[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|Ge<3>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]Ge[6])(H)2{1|Cl<1>,1|H<1>,1|P<4>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(P[6]C[6a]2Ge[6])(C[6a]C[6a]H){1|Cl<1>,1|N<3>,4|H<1>,5|C<3>}	128.1490	0.000	1	128.1490	0.000	1	128.1490	0.000	1	119.9141	7.097	31	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[3x6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[3x6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]O)(H)2	C[6,6a](C[3x6]C[6,6]N[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[3x6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]O)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6,6a](C[3x6]C[6,6]N[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<4>,2|O<2>,3|C<3>,5|H<1>}	119.0750	0.000	1	119.0750	0.000	1	119.0750	0.000	1	120.3846	3.372	34	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)2	C[6,6a](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6,6a](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,5|C<3>,5|H<1>}	120.7510	0.000	1	120.7510	0.000	1	120.7510	0.000	1	120.3846	3.372	34	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5,6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(H)2	C[6,6a](C[6,6]C[6,6]N[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5,6a]H)(C[6]C[6]HH){1|N<3>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6]C[6,6]N[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	119.2860	0.000	1	119.2860	0.000	1	120.4491	2.329	7	120.3846	3.372	34	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5,6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O)(H)2	C[6,6a](C[6,6]C[6,6]N[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5,6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O)(H)2{1|H<1>,2|C<4>,3|C<3>}	C[6,6a](C[6,6]C[6,6]N[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H){1|O<2>,3|C<3>,3|C<4>,3|H<1>}	119.6720	0.000	1	119.6720	0.000	1	120.4491	2.329	7	120.3846	3.372	34	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]C)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(H)2	C[6,6a](C[6,6]C[6,6]C[6]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]C)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]C)(C[6]C[6]HH){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(H)2{2|C<4>,3|C<3>}	C[6,6a](C[6,6]C[6,6]C[6]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]C){1|C<4>,1|O<2>,3|C<3>,5|H<1>}	122.1540	0.000	1	122.1540	0.000	1	120.4491	2.329	7	120.3846	3.372	34	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(H)2	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,7|H<1>}	122.7540	0.000	1	121.8740	1.549	2	120.4491	2.329	7	120.3846	3.372	34	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(H)2	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,6|H<1>}	120.9940	0.000	1	121.8740	1.549	2	120.4491	2.329	7	120.3846	3.372	34	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]O)(H)2	C[6,6a](C[6,6]C[5a,6]N[6,6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]O)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6,6a](C[6,6]C[5a,6]N[6,6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	118.9370	0.000	1	118.9370	0.000	1	120.4491	2.329	7	120.3846	3.372	34	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]O)(H)2	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]O)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,5|H<1>}	119.3470	0.000	1	119.3470	0.000	1	120.4491	2.329	7	120.3846	3.372	34	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[5,4x6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,4x6]C[6a])(C[6a]C[5,6a]H)(C[6]N[5,6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,3x6]C[5])(H)2	C[6,6a](C[5,4x6]C[5,3x6]C[5,6,6]C[6,6])(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)	C[6,6a](C[6,6a]C[5,4x6]C[6a])(C[6a]C[5,6a]H)(C[6]N[5,6]HH){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,3x6]C[5])(H)2{2|C<3>,3|C<4>,4|H<1>}	C[6,6a](C[5,4x6]C[5,3x6]C[5,6,6]C[6,6])(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H){1|N<3>,2|C<3>,2|C<4>,2|O<2>,6|H<1>}	119.5730	0.000	1	119.5730	0.000	1	119.5730	0.000	1	120.3846	3.372	34	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[5,6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6a]C[5,6a]H)(C[6]N[5,6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6,6]C[5])(H)2	C[6,6a](C[5,6,6]C[5,6,6]C[5]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6a]C[5,6a]H)(C[6]N[5,6]HH){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6,6]C[5])(H)2{2|C<3>,3|C<4>,4|H<1>}	C[6,6a](C[5,6,6]C[5,6,6]C[5]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,3|C<4>,6|H<1>}	121.2370	0.000	1	121.2370	0.000	1	121.2370	0.000	1	120.3846	3.372	34	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[5,6a]H)(C[6]N[5,6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,5,6]C[5])(H)2	C[6,6a](C[5,6]C[5,5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[5,6a]H)(C[6]N[5,6]HH){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,5,6]C[5])(H)2{2|C<3>,3|C<4>,4|H<1>}	C[6,6a](C[5,6]C[5,5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	120.5910	0.000	1	120.5910	0.000	1	120.5910	0.000	1	120.3846	3.372	34	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5,6a]H)(C[6]N[5,6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6,6]C[5])(H)2	C[6,6a](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5,6a]H)(C[6]N[5,6]HH){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6,6]C[5])(H)2{2|C<3>,3|C<4>,4|H<1>}	C[6,6a](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H){1|C<4>,1|N<3>,2|C<3>,2|O<2>,5|H<1>}	121.1220	0.000	1	121.4447	0.313	3	121.4447	0.313	3	120.3846	3.372	34	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5,6a]H)(C[6]N[5,6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6,6]C[5])(H)2	C[6,6a](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5,6a]H)(C[6]N[5,6]HH){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6,6]C[5])(H)2{2|C<3>,3|C<4>,4|H<1>}	C[6,6a](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	121.1210	0.000	1	121.4447	0.313	3	121.4447	0.313	3	120.3846	3.372	34	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5,6a]H)(C[6]N[5,6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6,6]C[5])(H)2	C[6,6a](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5,6a]H)(C[6]N[5,6]HH){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6,6]C[5])(H)2{2|C<3>,3|C<4>,4|H<1>}	C[6,6a](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,5|H<1>}	122.0910	0.000	1	121.4447	0.313	3	121.4447	0.313	3	120.3846	3.372	34	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[4,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[4,6]H)(H)2	C[6,6a](C[4,6]C[4,6]N[4]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]HH){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[4,6]H)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[4,6]C[4,6]N[4]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,6|H<1>}	119.4700	0.000	1	119.4700	0.000	1	119.4700	0.000	1	120.3846	3.372	34	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[5,6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6a]C[5,6a]H)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]C)(H)2	C[6,6a](C[5,6,6]C[5,6]2C[6])(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6a]C[5,6a]H)(C[6]N[6]HH){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]C)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[5,6,6]C[5,6]2C[6])(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H){1|C<4>,1|O<2>,2|N<3>,3|C<3>,6|H<1>}	121.9190	0.000	1	121.9190	0.000	1	121.9190	0.000	1	120.3846	3.372	34	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]S)(H)2	C[6,6a](C[5,6]C[5,6a]C[5,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]HH){1|C<4>,1|S<4>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]S)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[5,6]C[5,6a]C[5,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	117.0200	0.273	4	117.0200	0.074	4	117.0200	0.074	4	120.3846	3.372	34	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5,6a]H)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]P)(H)2	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5,6a]H)(C[6]N[6]HH){1|H<1>,1|O<2>,1|P<4>,2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]P)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,5|H<1>}	121.9910	0.000	1	121.9910	0.000	1	121.2683	1.839	3	120.3846	3.372	34	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]C)(H)2	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]HH){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]C)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	119.7040	0.000	1	119.7040	0.000	1	121.2683	1.839	3	120.3846	3.372	34	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]S)(H)2	C[6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]HH){1|C<3>,1|C<4>,1|O<2>,1|S<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]S)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	122.1100	0.000	1	122.1100	0.000	1	121.2683	1.839	3	120.3846	3.372	34	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	P[3x6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]P[3x6]C[6a])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]Nb[3x6]C[6a])(H)2	C[6,6a](P[3x6]C[6,6a]2Nb[3x6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]P[3x6]C[6a])(C[6a]C[6a]H)(C[6]N[6]HH){1|Nb<5>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]Nb[3x6]C[6a])(H)2{1|H<1>,1|N<2>,1|P<4>,2|N<3>,4|C<3>}	C[6,6a](P[3x6]C[6,6a]2Nb[3x6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<2>,3|N<3>,4|H<1>,5|C<3>}	119.7987	0.311	3	120.0828	0.460	6	120.0828	0.460	6	120.3846	3.372	34	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:H-1:H-1:	P[3x6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]P[3x6]C[6a])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]Nb[3x6]C[6a])(H)2	C[6,6a](P[3x6]C[6,6a]2Nb[3x6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]P[3x6]C[6a])(C[6a]C[6a]H)(C[6]N[6]HH){1|Nb<6>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]Nb[3x6]C[6a])(H)2{1|H<1>,1|N<2>,1|P<4>,3|N<3>,4|C<3>}	C[6,6a](P[3x6]C[6,6a]2Nb[3x6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<2>,4|H<1>,4|N<3>,5|C<3>}	120.3670	0.901	3	120.0828	0.460	6	120.0828	0.460	6	120.3846	3.372	34	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	N[6]-3:C[6,6a]-3:H-1:H-1:	P[5,6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]P[5,6,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6](N[6]Nb[3,5,6,6]C[6a])(C[6,6a]C[6,6a]C[6a])(H)2	C[6,6a](P[5,6,6]Nb[3,5,6,6]C[5,6a]C[6,6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]P[5,6,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]HH){1|Nb<6>,2|H<1>,4|C<3>}	C[6](N[6]Nb[3,5,6,6]C[6a])(C[6,6a]C[6,6a]C[6a])(H)2{1|H<1>,1|P<4>,2|C<4>,2|N<3>,4|C<3>}	C[6,6a](P[5,6,6]Nb[3,5,6,6]C[5,6a]C[6,6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<4>,3|N<3>,4|H<1>,5|C<3>}	121.4290	1.061	2	121.4290	1.125	2	122.6500	3.964	4	120.3846	3.372	34	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	N[6]-3:C[6,6a]-3:H-1:H-1:	P[5,6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]P[5,6,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6](N[6]Nb[3x3,5,6,6]C[6a])(C[6,6a]C[6,6a]C[6a])(H)2	C[6,6a](P[5,6,6]Nb[3x3,5,6,6]C[5,6a]C[6,6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]P[5,6,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]HH){1|Nb<8>,2|H<1>,4|C<3>}	C[6](N[6]Nb[3x3,5,6,6]C[6a])(C[6,6a]C[6,6a]C[6a])(H)2{1|C<4>,1|H<1>,1|P<4>,1|S<5>,2|N<3>,2|O<2>,4|C<3>}	C[6,6a](P[5,6,6]Nb[3x3,5,6,6]C[5,6a]C[6,6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|S<5>,2|O<2>,3|N<3>,4|H<1>,5|C<3>}	123.8710	2.192	2	123.8710	4.805	2	122.6500	3.964	4	120.3846	3.372	34	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:2:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:N-2:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HN)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(NS)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HN){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(NS)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	120.6100	0.000	1	120.6100	0.000	1	120.6100	0.000	1	120.2401	4.204	14	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:2:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:O-2:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HO){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(OH)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|O<1>,1|O<2>,2|C<3>,3|H<1>}	117.6470	0.000	1	117.6470	0.000	1	119.4955	6.834	2	120.2401	4.204	14	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:2:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:O-2:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(OH)(H){1|O<2>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(O[6]C[6]){1|O<2>,2|C<3>,5|H<1>}	121.3440	0.000	1	121.3440	0.000	1	119.4955	6.834	2	120.2401	4.204	14	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:2:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:S-2:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HS)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(SC)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HS){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(SC)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|N<3>,1|S<2>,2|C<3>,3|H<1>}	120.1850	0.000	1	120.4575	0.149	2	120.4575	0.149	2	120.2401	4.204	14	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:2:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:S-2:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HS)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(SC)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HS){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(SC)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|N<3>,1|S<2>,2|C<3>,3|H<1>}	120.7300	0.000	1	120.4575	0.149	2	120.4575	0.149	2	120.2401	4.204	14	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:2:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:O[6]-2:H-1:	C[6,6a]-3:C[6,6a]-3:N[6a]-2:	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a,6a]C[6a])(C[6]C[6a]O[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6,6a])(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a,6a]C[6a])(C[6]C[6a]O[6]H){8|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|N<2>,2|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a,6a]){1|O<2>,2|H<1>,6|C<3>}	119.6100	0.000	1	119.6100	0.000	1	119.6100	0.000	1	120.2401	4.204	14	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:2:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:C-2:H-1:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CC)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]CH){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CC)(H){1|H<1>,1|N<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|C<2>,1|N<3>,2|C<3>,3|H<1>}	117.3395	0.641	2	117.3395	0.411	2	117.3395	0.411	2	120.2401	4.204	14	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:2:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:C-2:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]Si[6])(CN)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]Si[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|Si<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]Si[6])(CN)(H){1|H<1>,2|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]Si[6]){1|C<2>,1|N<3>,1|O<2>,2|C<3>,3|H<1>}	117.4890	0.000	1	117.4890	0.000	1	119.5205	8.254	2	120.2401	4.204	14	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:2:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:C-2:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]S[6]H)(CC)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]S[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|Br<1>,1|C<3>,1|S<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]S[6]H)(CC)(H){1|H<1>,1|O<2>,2|C<3>,2|O<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]S[6]){1|C<2>,1|C<3>,1|N<3>,2|O<1>,3|H<1>}	121.5520	0.000	1	121.5520	0.000	1	119.5205	8.254	2	120.2401	4.204	14	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:2:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:O-2:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]S[6]C)(OC)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]S[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HO){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]S[6]C)(OC)(H){1|H<1>,1|O<2>,2|C<3>,2|O<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]S[6]){1|C<3>,1|N<3>,1|O<2>,2|O<1>,3|H<1>}	122.3790	0.608	4	122.3790	0.370	4	122.3790	0.370	4	120.2401	4.204	14	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:2:1:	3:3:3:	C[6,6a]-3:C[5,6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:O-2:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[5,6a]C[5,6a]O[5])(C[6]N[6]HO)	C[6](C[6,6a]C[5,6a]C[6,6a])(N[6]C[6,6a]C)(OC)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[5,6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[5,6a]C[5,6a]O[5])(C[6]N[6]HO){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[6](C[6,6a]C[5,6a]C[6,6a])(N[6]C[6,6a]C)(OC)(H){1|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[5,6a]C[6])(C[6a]C[6a]H){1|N<3>,2|O<2>,3|C<3>,3|H<1>}	120.8250	0.455	2	120.8250	0.207	2	120.8250	0.207	2	119.2073	4.794	6	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:2:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:C-2:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]H)(C[6]N[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C)(CN)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]H)(C[6]N[6]CH){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C)(CN)(H){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H){1|C<2>,1|N<3>,3|H<1>,4|C<3>}	116.6650	0.000	1	116.6650	0.000	1	116.6650	0.000	1	119.2073	4.794	6	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:2:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:C-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]N[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CN)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]N[6]CH){3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CN)(H){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<2>,1|C<3>,1|C<4>,1|N<3>,3|H<1>}	116.4220	0.000	1	116.4220	0.000	1	116.4220	0.000	1	119.2073	4.794	6	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:2:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(OC)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HO){1|S<4>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(OC)(H){1|H<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Cl<1>,1|C<3>,1|N<3>,2|H<1>,2|O<2>}	119.2240	0.000	1	119.2240	0.000	1	119.2240	0.000	1	119.2073	4.794	6	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:2:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:O-2:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(OC)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]HO){2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(OC)(H){1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|N<3>,1|O<2>,4|H<1>}	121.2830	0.000	1	121.2830	0.000	1	121.2830	0.000	1	119.2073	4.794	6	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:2:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6,6a]-3:S-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6,6a]HS)	C[6](C[6,6a]C[6,6a]C[6a])2(SC)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6,6a]HS)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6,6a]HS){1|S<2>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(SC)(H){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6,6a]HS){1|S<2>,2|H<1>,4|C<3>}	119.8487	0.076	4	119.8487	0.006	4	119.8487	0.006	4	120.3813	2.701	21	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:2:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]O)(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<3>,1|O<1>,1|O<2>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]O)(OH)(H){1|C<4>,1|H<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HH){1|O<2>,2|C<3>,3|H<1>}	116.1445	0.435	2	116.1445	0.189	2	116.1445	0.189	2	120.3813	2.701	21	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:2:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:S-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HS)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(SC)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HS){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(SC)(H){1|O<2>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|C<4>,1|H<1>,1|S<2>,2|C<3>,2|O<2>}	120.5740	0.676	2	120.5740	0.457	2	120.5740	0.457	2	120.3813	2.701	21	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:2:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:C-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CN)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CN)(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<2>,1|C<3>,1|N<3>,1|O<2>,4|H<1>}	120.8710	0.000	1	121.5118	0.542	5	121.2887	0.418	10	120.3813	2.701	21	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:2:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:C-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CN)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CN)(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<2>,1|C<3>,1|N<3>,5|H<1>}	120.6730	0.000	1	121.5118	0.542	5	121.2887	0.418	10	120.3813	2.701	21	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:2:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:C-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CN)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CN)(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<2>,1|C<3>,1|N<3>,1|O<2>,4|H<1>}	122.0050	0.402	3	121.5118	0.542	5	121.2887	0.418	10	120.3813	2.701	21	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:2:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:C-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CN)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CN)(H){1|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<2>,1|C<3>,1|N<3>,1|O<2>,4|H<1>}	121.1580	0.000	1	121.0656	0.276	5	121.2887	0.418	10	120.3813	2.701	21	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:2:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:C-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CN)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CN)(H){1|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<2>,1|C<3>,1|N<3>,5|H<1>}	121.0425	0.603	4	121.0656	0.276	5	121.2887	0.418	10	120.3813	2.701	21	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:2:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(OC)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HO){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(OC)(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|N<3>,2|O<2>,4|H<1>}	119.1740	0.000	1	119.1740	0.000	1	120.7627	1.905	3	120.3813	2.701	21	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:2:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]N)(OC[6a])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HO){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]N)(OC[6a])(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|N<3>,1|O<2>,5|H<1>}	121.6690	0.000	1	121.6690	0.000	1	120.7627	1.905	3	120.3813	2.701	21	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:2:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(C[6]N[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(C[6]N[6]HO){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(OH)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,2|N<3>,2|O<2>,3|H<1>}	121.4450	0.000	1	121.4450	0.000	1	120.7627	1.905	3	120.3813	2.701	21	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:2:1:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:O-2:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(OC[6a])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|N<2>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(OC[6a])(H){1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H){1|O<2>,3|H<1>,4|C<3>}	115.2070	0.000	1	115.2070	0.000	1	115.2070	0.000	1	116.5420	3.564	2	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:2:1:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:O-2:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]C)(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]N)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HO){1|C<4>,2|C<3>,2|H<1>,2|N<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]C)(OH)(H){1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]N){1|N<3>,1|O<2>,3|C<3>,3|H<1>}	117.8770	0.000	1	117.8770	0.000	1	117.8770	0.000	1	116.5420	3.564	2	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:2:2:	3:3:3:	C[5a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:O-2:O-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[5a,6a]C[5a,6a]2)(C[6,6a]C[6a]C[6])(C[6]C[6]OO)	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]O)(OC)2	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[5a,6a]C[5a,6a]2)(C[6,6a]C[6a]C[6])(C[6]C[6]OO){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]O)(OC)2{1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){2|H<1>,2|O<2>,3|C<3>}	117.3815	0.418	2	117.3815	0.175	2	117.3815	0.175	2	119.7007	6.235	7	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:2:2:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6,6a]-3:C-2:O-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6,6a]CO)	C[6](C[6,6a]C[6,6a]C[6a])2(CC)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6,6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6,6a]CO){1|H<1>,1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CC)(OH){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6,6a]O){1|C<2>,1|H<1>,1|O<2>,4|C<3>}	122.1420	0.047	2	122.1420	0.002	2	122.1420	0.002	2	119.7007	6.235	7	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:2:2:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C-2:C-2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CN)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|H<1>,1|O<2>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CN)2{1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,2|C<2>,2|H<1>,4|C<3>}	116.5370	0.000	1	116.5370	0.000	1	116.5370	0.000	1	119.7007	6.235	7	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:2:2:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:O-2:O-2:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]OO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O)(OC)2	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]OO){1|O<1>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O)(OC)2{1|H<1>,4|C<3>}	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|Br<1>,1|H<1>,1|O<1>,2|O<2>,4|C<3>}	120.7830	0.000	1	120.7830	0.000	1	120.7830	0.000	1	119.7007	6.235	7	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:2:2:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:O-2:O-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5a,6a]H)(C[6]C[6]OO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(OC)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5a,6a]O)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5a,6a]H)(C[6]C[6]OO){1|H<1>,1|O<1>,2|C<3>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(OC)2{2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5a,6a]O)(C[6]C[6]O){2|H<1>,2|O<2>,3|C<3>}	121.5380	0.000	1	121.5380	0.000	1	121.5380	0.000	1	119.7007	6.235	7	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:2:2:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C-2:O-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CC)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CO){1|C<2>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CC)(OH){1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CO){1|C<2>,1|O<2>,2|C<3>,3|H<1>}	122.2578	0.048	4	122.2578	0.002	4	122.2578	0.002	4	122.2578	0.002	4	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:2:4:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:O-2:C-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(OC[6a])(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CO){1|O<1>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(OC[6a])(CH3){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	119.1210	0.000	1	119.1210	0.000	1	119.1210	0.000	1	119.1210	0.000	1	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:3:1:	3:2:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[5a,6]-3:C[6,6a]-3:C-3:H-1:	C[6,6a]-3:N[6a]-2:O[6]-2:	C[6,6a](C[6,6a]N[6a]O[6])(C[6a]C[6a,6a]H)(C[6]C[5a,6]CH)	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(CCC)(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(O[6]C[5a,6])	C[6,6a](C[6,6a]N[6a]O[6])(C[6a]C[6a,6a]H)(C[6]C[5a,6]CH){4|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(CCC)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|N<2>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(O[6]C[5a,6]){1|N<3>,2|H<1>,4|C<3>}	123.2310	0.000	1	123.2310	0.000	1	123.2310	0.000	1	123.2310	0.000	1	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:3:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C-3:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[5,6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[5,6a]H)(C[6]C[6]CH){1|C<2>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCH)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(O[6]C[6]){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	121.8830	0.000	1	121.8830	0.000	1	121.8830	0.000	1	120.0936	3.261	57	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:3:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C-3:H-1:	C[6,6a]-3:N[6a]-3:O[6]-2:	C[6,6a](C[6,6a]N[6a]O[6])(C[6a]N[6a]O)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(COO)(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]C)(O[6]C[6])	C[6,6a](C[6,6a]N[6a]O[6])(C[6a]N[6a]O)(C[6]C[6]CH){2|C<4>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(COO)(H){1|O<1>,1|O<2>,3|N<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]C)(O[6]C[6]){1|H<1>,2|C<3>,2|N<3>,2|O<1>}	121.5060	0.000	1	121.5060	0.000	1	121.5060	0.000	1	120.0936	3.261	57	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:3:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C-3:H-1:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6a]O[6a]O)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(COO)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6])	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6a]O[6a]O)(C[6]C[6]CH){4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(COO)(H){1|C<3>,1|N<3>,1|O<1>,2|O<2>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6]){1|N<3>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	122.9140	0.000	1	122.9140	0.000	1	122.9140	0.000	1	120.0936	3.261	57	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:3:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:N-3:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HN)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(NHS)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HN){1|C<2>,1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(NHS)(H){1|O<2>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|N<3>,2|C<3>,5|H<1>}	122.2540	0.000	1	122.2540	0.000	1	121.3900	1.493	2	120.0936	3.261	57	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:3:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:N-3:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HN)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S)(NCH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HN){1|S<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S)(NCH)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){2|C<3>,2|N<3>,3|H<1>}	120.5260	0.000	1	120.5260	0.000	1	121.3900	1.493	2	120.0936	3.261	57	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:3:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:C-3:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]S[6]H)(CCH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]S[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|C<3>,1|S<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]S[6]H)(CCH)(H){1|H<1>,1|O<2>,2|C<3>,2|O<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]S[6]){1|N<3>,2|C<3>,2|O<1>,3|H<1>}	123.2700	0.571	4	123.2700	0.327	4	123.2700	0.327	4	120.0936	3.261	57	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:3:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:N-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]HN)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(NCH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]HN){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(NCH)(H){1|H<1>,1|N<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){2|C<3>,2|N<3>,3|H<1>}	118.0840	0.102	2	118.0840	0.010	2	118.0840	0.010	2	120.0936	3.261	57	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:3:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:N-3:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HN)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(NCH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HN){2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(NCH)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|O<1>,2|N<3>,3|H<1>}	120.2520	0.000	1	120.2520	0.000	1	120.7915	0.582	2	120.0936	3.261	57	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:3:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:N-3:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HN)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(NCS)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HN){1|C<3>,1|C<4>,1|S<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(NCS)(H){1|O<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){2|C<3>,2|N<3>,4|H<1>}	121.3310	0.000	1	121.3310	0.000	1	120.7915	0.582	2	120.0936	3.261	57	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:3:1:	3:3:2:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6,6]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a,6a]O[6])(C[6]C[6,6]C[6a]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]C[6])(O[6]C[6,6])	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a,6a]O[6])(C[6]C[6,6]C[6a]H){1|N<2>,7|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|N<2>,1|O<1>,1|O<2>,2|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]C[6])(O[6]C[6,6]){1|C<4>,1|N<2>,2|H<1>,5|C<3>}	121.7230	0.000	1	122.3555	0.800	2	122.3555	0.800	2	120.0936	3.261	57	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:3:1:	3:3:2:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6,6]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a,6a]O[6])(C[6]C[6,6]C[6a]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]C[6])(O[6]C[6,6])	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a,6a]O[6])(C[6]C[6,6]C[6a]H){1|N<2>,7|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|N<2>,1|O<1>,1|O<2>,2|H<1>,6|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]C[6])(O[6]C[6,6]){1|N<2>,2|H<1>,6|C<3>}	122.9880	0.000	1	122.3555	0.800	2	122.3555	0.800	2	120.0936	3.261	57	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:3:1:	3:3:2:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C-3:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]CH)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(CCH)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]CH){3|H<1>,4|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(CCH)(H){1|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){2|H<1>,5|C<3>}	120.3550	0.000	1	120.3550	0.000	1	120.3550	0.000	1	120.0936	3.261	57	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:3:1:	3:3:2:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H){1|C<2>,2|H<1>,6|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<2>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|N<3>,2|H<1>,4|C<3>}	121.1936	0.305	7	120.5233	0.576	14	120.5301	0.723	18	120.0936	3.261	57	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:3:1:	3:3:2:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H){2|H<1>,7|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|Cl<1>,1|H<1>,1|N<3>,1|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|N<3>,2|H<1>,4|C<3>}	119.6865	0.555	2	120.5233	0.576	14	120.5301	0.723	18	120.0936	3.261	57	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:3:1:	3:3:2:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H){2|H<1>,7|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<2>,2|F<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|N<3>,2|H<1>,4|C<3>}	119.6240	0.000	1	120.5233	0.576	14	120.5301	0.723	18	120.0936	3.261	57	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:3:1:	3:3:2:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H){2|H<1>,7|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<2>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|N<3>,2|H<1>,4|C<3>}	119.9935	0.215	4	120.5233	0.576	14	120.5301	0.723	18	120.0936	3.261	57	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:3:1:	3:3:2:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H){3|H<1>,6|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]H)(H){1|O<2>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){3|H<1>,4|C<3>}	120.5540	1.265	4	120.5540	1.601	4	120.5301	0.723	18	120.0936	3.261	57	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:3:1:	3:3:2:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6a]N[6]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(N[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6a]N[6]H){2|C<4>,2|H<1>,5|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(N[6]C[6]C)(H){1|C<4>,1|O<2>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	118.6550	0.000	1	119.1417	0.262	3	118.6762	2.028	22	120.0936	3.261	57	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:3:1:	3:3:2:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6a]N[6]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(N[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6a]N[6]H){2|C<4>,2|H<1>,5|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(N[6]C[6]C)(H){1|O<2>,3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|N<3>,3|H<1>,4|C<3>}	119.3850	0.410	2	119.1417	0.262	3	118.6762	2.028	22	120.0936	3.261	57	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:3:1:	3:3:2:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6a]N[6]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6a]N[6]H){1|C<4>,3|H<1>,5|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(N[6]C[6]H)(H){1|C<4>,1|O<2>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	119.9600	0.000	1	119.5441	1.142	10	118.6762	2.028	22	120.0936	3.261	57	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:3:1:	3:3:2:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6a]N[6]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6a]N[6]H){1|C<4>,3|H<1>,5|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(N[6]C[6]H)(H){1|N<2>,1|O<2>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|N<3>,3|H<1>,4|C<3>}	119.6560	0.000	1	119.5441	1.142	10	118.6762	2.028	22	120.0936	3.261	57	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:3:1:	3:3:2:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6a]N[6]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6a]N[6]H){1|C<4>,3|H<1>,5|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(N[6]C[6]H)(H){1|O<2>,3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|N<3>,3|H<1>,4|C<3>}	119.7398	1.476	5	119.5441	1.142	10	118.6762	2.028	22	120.0936	3.261	57	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:3:1:	3:3:2:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6a]N[6]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6a]N[6]H){3|H<1>,6|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(N[6]C[6]H)(H){1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	119.1865	0.554	2	119.5441	1.142	10	118.6762	2.028	22	120.0936	3.261	57	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:3:1:	3:3:2:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6a]N[6]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6a]N[6]H){3|H<1>,6|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(N[6]C[6]H)(H){1|O<2>,2|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|N<3>,2|H<1>,4|C<3>}	118.7530	0.000	1	119.5441	1.142	10	118.6762	2.028	22	120.0936	3.261	57	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:3:1:	3:3:2:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6a]N[6]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(N[6]P[6,6]H)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]P[6,6])	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6a]N[6]H){1|P<5>,3|H<1>,5|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(N[6]P[6,6]H)(H){1|N<3>,2|O<2>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]P[6,6]){1|O<2>,2|N<3>,3|C<3>,3|H<1>}	116.8255	1.832	2	116.8255	3.357	2	118.6762	2.028	22	120.0936	3.261	57	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:3:1:	3:3:2:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6a]N[6]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(N[6]P[6]C)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]P[6])	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6a]N[6]H){1|C<4>,1|P<4>,2|H<1>,5|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(N[6]P[6]C)(H){1|C<4>,1|H<1>,1|O<1>,2|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]P[6]){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	118.2620	0.000	1	117.7657	1.266	7	118.6762	2.028	22	120.0936	3.261	57	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:3:1:	3:3:2:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6a]N[6]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(N[6]P[6]C)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]P[6])	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6a]N[6]H){1|C<4>,1|P<4>,2|H<1>,5|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(N[6]P[6]C)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]P[6]){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	117.4666	1.215	5	117.7657	1.266	7	118.6762	2.028	22	120.0936	3.261	57	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:3:1:	3:3:2:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6a]N[6]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(N[6]P[6]C)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]P[6])	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6a]N[6]H){1|C<4>,1|P<4>,2|H<1>,5|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(N[6]P[6]C)(H){1|O<1>,2|H<1>,2|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]P[6]){1|N<3>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	118.7650	0.000	1	117.7657	1.266	7	118.6762	2.028	22	120.0936	3.261	57	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:3:1:	3:3:2:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:C-3:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]N[6]CH)	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[6]C[6a]C[6])(COO)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]N[6]CH){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[6]C[6a]C[6])(COO)(H){1|H<1>,1|O<2>,6|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|N<3>,3|H<1>,4|C<3>}	119.9360	0.000	1	119.9360	0.000	1	119.9360	0.000	1	120.0936	3.261	57	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:3:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C-3:C[6]-3:H-1:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(CC[6]P[6])(C[6]O[6]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(CC[6]P[6])(C[6]O[6]O)(H){1|H<1>,1|N<3>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6]O[6])(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	114.1420	0.000	1	114.1420	0.000	1	114.1420	0.000	1	117.6709	6.318	10	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:3:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C-3:H-1:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]O)(CC[6]P)(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6]O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]O)(CC[6]P)(H){1|H<1>,1|N<3>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6]O[6])(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	113.9080	0.000	1	113.9080	0.000	1	113.9080	0.000	1	117.6709	6.318	10	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:3:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]2H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2)(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]2H){4|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2)(C[6]C[6]H)(H){3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){3|H<1>,4|C<3>}	116.7890	0.042	2	116.7890	0.002	2	116.7890	0.002	2	117.6709	6.318	10	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:3:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:C-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C)(CNO)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]N[6]CH){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C)(CNO)(H){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|Cl<1>,1|N<3>,3|H<1>,4|C<3>}	118.1730	0.000	1	118.1730	0.000	1	118.1730	0.000	1	117.6709	6.318	10	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:3:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:C-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CCN)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Br)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|Br<1>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CCN)(H){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Br)(C[6]C[6]H){1|N<3>,2|C<3>,4|H<1>}	122.3790	0.000	1	122.3790	0.000	1	119.8540	12.751	2	117.6709	6.318	10	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:3:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:C-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CNP)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH){3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CNP)(H){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|F<1>,1|N<3>,2|C<3>,3|H<1>}	117.3290	0.000	1	117.3290	0.000	1	119.8540	12.751	2	117.6709	6.318	10	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:3:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:C-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(CCH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|S<4>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(CCH)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	118.6290	0.000	1	118.6290	0.000	1	118.6290	0.000	1	117.6709	6.318	10	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:3:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:N-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HN)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]N[6])(NHN)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HN){1|N<2>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]N[6])(NHN)(H){1|H<1>,1|N<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H){1|C<3>,2|N<3>,3|H<1>}	119.3940	0.000	1	119.3940	0.000	1	119.2855	0.024	2	117.6709	6.318	10	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:3:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:N-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HN)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6]C)(NCN)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HN){1|N<2>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6]C)(NCN)(H){1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H){1|C<3>,2|N<3>,3|H<1>}	119.1770	0.000	1	119.1770	0.000	1	119.2855	0.024	2	117.6709	6.318	10	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|O<2>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCH)(H){1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CO){3|C<3>,4|H<1>}	116.3660	0.000	1	116.3660	0.000	1	118.9255	13.102	2	119.5357	5.869	13	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CN[5]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]CH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CN[5]O)(H){1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]CH){3|C<3>,4|H<1>}	121.4850	0.000	1	121.4850	0.000	1	118.9255	13.102	2	119.5357	5.869	13	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:N-3:F-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]FN)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]O)(NSS)(F)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]FN){1|C<3>,1|O<1>,1|O<2>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]O)(NSS)(F){1|C<4>,1|H<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HH){1|F<1>,1|N<3>,2|C<3>,2|H<1>}	115.4180	0.000	1	115.4180	0.000	1	115.4180	0.000	1	119.5357	5.869	13	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:N-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HN)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(NCS)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HN){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(NCS)(H){1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|N<3>,2|C<3>,3|H<1>}	115.6660	0.000	1	115.6660	0.000	1	115.6660	0.000	1	119.5357	5.869	13	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:C-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CNO)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CNO)(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|N<3>,2|C<3>,5|H<1>}	122.1300	0.000	1	122.1300	0.000	1	120.3285	2.193	6	119.5357	5.869	13	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:C-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CNO)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CNO)(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,2|C<3>,5|H<1>}	121.7570	0.000	1	121.7570	0.000	1	120.3285	2.193	6	119.5357	5.869	13	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:C-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]O)(CNO)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]O)(CNO)(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,2|C<3>,5|H<1>}	120.7520	0.000	1	120.7520	0.000	1	120.3285	2.193	6	119.5357	5.869	13	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:C-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(CCH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|S<4>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(CCH)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	119.0510	0.000	1	119.0510	0.000	1	120.3285	2.193	6	119.5357	5.869	13	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:C-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CCC)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|Cl<1>,1|C<4>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CCC)(H){1|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,2|C<3>,5|H<1>}	118.4180	0.000	1	118.4180	0.000	1	120.3285	2.193	6	119.5357	5.869	13	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:C-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CNO)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CNO)(H){1|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,2|C<3>,5|H<1>}	119.8630	0.000	1	119.8630	0.000	1	120.3285	2.193	6	119.5357	5.869	13	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:N-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HN)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]N)(NCN)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HN){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]N)(NCN)(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,2|N<3>,5|H<1>}	119.8410	0.000	1	119.8410	0.000	1	121.0193	1.655	3	119.5357	5.869	13	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:N-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HN)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]N)(NC[6a]S)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HN){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]N)(NC[6a]S)(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,2|N<3>,5|H<1>}	122.3920	0.000	1	122.3920	0.000	1	121.0193	1.655	3	119.5357	5.869	13	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:N-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HN)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(NC[6a]N)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HN){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(NC[6a]N)(H){1|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,2|N<3>,5|H<1>}	120.8250	0.000	1	120.8250	0.000	1	121.0193	1.655	3	119.5357	5.869	13	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:3:1:	3:4:3:	C[5,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:C-3:H-1:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6]C[6a])(C[6]N[6]CH)	C[6](C[6,6a]C[5,6a]C[6,6a])(N[6]C[6,6]H)(COO)(H)	C[6,6a](C[6,6a]C[5,6a]C[6])(C[6,6]C[6,6]O[6]H)(C[6a]C[6a]O)	C[6,6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6]C[6a])(C[6]N[6]CH){1|C<3>,2|C<4>,2|H<1>,3|O<2>}	C[6](C[6,6a]C[5,6a]C[6,6a])(N[6]C[6,6]H)(COO)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[5,6a]C[6])(C[6,6]C[6,6]O[6]H)(C[6a]C[6a]O){1|N<3>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	121.1620	0.000	1	121.1620	0.000	1	121.1620	0.000	1	120.4023	11.634	4	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:3:1:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:N-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HN)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(NCC)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5a]C[6]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HN){1|N<3>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(NCC)(H){1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5a]C[6]H)(C[6a]C[6a]H){2|N<3>,3|C<3>,4|H<1>}	122.5330	0.180	2	122.5330	0.032	2	120.1490	17.066	3	120.4023	11.634	4	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:3:1:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:N-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HN)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(NC[6a]S)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HN){1|N<2>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(NC[6a]S)(H){1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H){1|N<3>,3|H<1>,4|C<3>}	115.3810	0.000	1	115.3810	0.000	1	120.1490	17.066	3	120.4023	11.634	4	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:3:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:N-3:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HN)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(NC[6a]H)(H)	C[6,6a](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HN){3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(NC[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,2|N<3>,4|C<3>,4|H<1>}	121.9460	0.000	1	121.9460	0.000	1	121.9460	0.000	1	121.9460	0.000	1	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:3:2:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C-3:O-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(COO)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CO){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(COO)(OH){1|H<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|H<1>,2|O<2>,4|C<3>}	121.8910	0.000	1	121.8910	0.000	1	121.8910	0.000	1	121.8910	0.000	1	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:3:2:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:C-3:O-2:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]CO)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CN[6]O)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]CO){3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CN[6]O)(OH){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	117.3470	0.249	2	117.3470	0.062	2	117.3470	0.062	2	117.3470	0.062	2	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:3:2:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCO)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CO){3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCO)(OC){1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|O<2>,3|C<3>,3|H<1>}	117.2140	0.000	1	117.2140	0.000	1	117.2140	0.000	1	117.2140	0.000	1	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:3:3:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:C-3:C-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(COO)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]CC){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(COO)2{1|O<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|N<3>,3|H<1>,4|C<3>}	119.8120	0.000	1	119.8120	0.000	1	119.8120	0.000	1	119.8120	0.000	1	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:3:4:	3:3:2:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:C-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]C)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]H)(CH3)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]C){3|H<1>,6|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]H)(CH3){1|H<1>,2|O<2>,6|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|H<1>,5|C<3>}	119.9610	0.000	1	120.4435	0.466	2	120.4435	0.466	2	120.4435	0.466	2	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:3:4:	3:3:2:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-3:C-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]C)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]H)(CH3)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]C){3|H<1>,6|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]H)(CH3){1|O<2>,2|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|H<1>,5|C<3>}	120.9260	0.000	1	120.4435	0.466	2	120.4435	0.466	2	120.4435	0.466	2	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C[6]-3:C-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2)(C[6]C[6]O)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2C){1|O<1>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2)(C[6]C[6]O)(CH3){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){2|C<4>,2|H<1>,3|C<3>}	120.3065	0.622	2	120.3065	0.386	2	120.3065	0.386	2	119.6617	1.441	3	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:O-3:C-4:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]CO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]N)(OAl2)(CH3)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]CO){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]N)(OAl2)(CH3){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<3>,3|H<1>,4|C<3>}	118.3720	0.000	1	118.3720	0.000	1	118.3720	0.000	1	119.6617	1.441	3	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:4:1:	3:2:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6,6a]-3:N[6a]-2:C[6]-3:	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CCHH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(C[6]C[6]H)	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CCHH)(H){1|H<1>,1|N<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(C[6]C[6]H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	117.1230	0.000	1	117.1230	0.000	1	117.1230	0.000	1	117.1230	0.000	1	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:4:1:	3:2:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6,6]-3:C-4:H-1:	C[6,6a]-3:N[6a]-2:C[6]-4:	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]H)(C[6]N[6,6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(CH3)(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6,6]HH)	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]H)(C[6]N[6,6]CH){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(CH3)(H){1|N<2>,2|C<3>,2|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6,6]HH){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	120.7210	0.000	1	120.7210	0.000	1	120.7210	0.000	1	120.7210	0.000	1	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:4:1:	3:3:2:	C[5,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6,6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6a]O[6])(C[6]C[6,6]CH)	C[6](C[6,6a]C[5,6a]C[6,6a])(C[6,6]C[6,6]C[6])(CCCH)(H)	C[6,6a](C[6,6a]C[5,6a]C[6])(C[6a]C[6a]C)(O[6]C[6,6])	C[6,6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6a]O[6])(C[6]C[6,6]CH){2|C<4>,4|C<3>}	C[6](C[6,6a]C[5,6a]C[6,6a])(C[6,6]C[6,6]C[6])(CCCH)(H){1|O<1>,2|C<3>,2|C<4>,2|O<2>}	C[6,6a](C[6,6a]C[5,6a]C[6])(C[6a]C[6a]C)(O[6]C[6,6]){1|H<1>,2|C<3>,2|C<4>,2|O<2>}	121.7080	0.000	1	121.7080	0.000	1	121.7080	0.000	1	120.2948	3.993	33	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:4:1:	3:3:2:	C[6,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6,6a]O[6])(C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)	C[6](C[6,6a]C[6,6a]2)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(O[6]C[6])	C[6,6a](C[6,6a]C[6,6a]O[6])(C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H){2|C<4>,2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]2)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<1>,2|H<1>,2|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(O[6]C[6]){1|C<4>,1|H<1>,1|O<1>,2|C<3>,2|O<2>}	120.6830	0.000	1	120.6830	0.000	1	120.6830	0.000	1	120.2948	3.993	33	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:4:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6,6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6,6a]O)(C[6]C[6,6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(CCCH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]C)(O[6]C[6,6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6,6a]O)(C[6]C[6,6]CH){1|C<4>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(CCCH)(H){1|O<1>,2|C<3>,2|C<4>,2|O<2>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]C)(O[6]C[6,6]){1|H<1>,2|C<3>,2|C<4>,2|O<2>}	120.2660	0.000	1	120.2660	0.000	1	120.2660	0.000	1	120.2948	3.993	33	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:4:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCCH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Br)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH){2|Br<1>,1|C<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCCH)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Br)(O[6]C[6]){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	120.0940	0.000	1	120.0940	0.000	1	120.5489	0.699	15	120.2948	3.993	33	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:4:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCCH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|Br<1>,1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCCH)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){2|C<3>,2|C<4>,3|H<1>}	120.1550	0.000	1	120.4438	0.179	5	120.5489	0.699	15	120.2948	3.993	33	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:4:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCCH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCCH)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	119.8390	0.000	1	120.4438	0.179	5	120.5489	0.699	15	120.2948	3.993	33	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:4:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCCH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|Cl<1>,1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCCH)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){2|C<3>,2|C<4>,3|H<1>}	120.7060	0.000	1	120.4438	0.179	5	120.5489	0.699	15	120.2948	3.993	33	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:4:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCCH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|H<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCCH)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){2|C<3>,2|C<4>,3|H<1>}	120.7610	0.000	1	120.4438	0.179	5	120.5489	0.699	15	120.2948	3.993	33	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:4:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCCH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCCH)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){2|C<3>,2|C<4>,3|H<1>}	120.7580	0.000	1	120.4438	0.179	5	120.5489	0.699	15	120.2948	3.993	33	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:4:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCHH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCHH)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){2|C<3>,2|C<4>,3|H<1>}	120.4090	0.000	1	120.9980	0.367	3	120.5489	0.699	15	120.2948	3.993	33	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:4:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCHH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCHH)(H){1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,2|C<3>,4|H<1>}	121.2925	0.462	2	120.9980	0.367	3	120.5489	0.699	15	120.2948	3.993	33	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:4:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCHO)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|H<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCHO)(H){1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,2|C<3>,4|H<1>}	118.9440	0.000	1	118.9440	0.000	1	120.5489	0.699	15	120.2948	3.993	33	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:4:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CHHN)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|Br<1>,1|C<2>,1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CHHN)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	121.7650	0.201	2	121.0013	1.770	3	120.5489	0.699	15	120.2948	3.993	33	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:4:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CHHN)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|Br<1>,1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CHHN)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	119.4740	0.000	1	121.0013	1.770	3	120.5489	0.699	15	120.2948	3.993	33	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:4:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(CHHN)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Cl)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH){2|Cl<1>,1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(CHHN)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Cl)(O[6]C[6]){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	119.8870	0.000	1	119.8870	0.000	1	120.5489	0.699	15	120.2948	3.993	33	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:4:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(CHHN)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(CHHN)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	121.0920	0.000	1	121.0920	0.000	1	120.5489	0.699	15	120.2948	3.993	33	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:4:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CCHH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]CH){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CCHH)(H){1|H<1>,1|N<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	115.9910	0.431	2	115.9910	0.186	2	115.9910	0.186	2	120.2948	3.993	33	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:4:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CCHH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]CH){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CCHH)(H){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	120.2030	0.000	1	120.2030	0.000	1	121.4626	7.079	7	120.2948	3.993	33	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:4:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]Si[6])(CCHH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]Si[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|Si<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]Si[6])(CCHH)(H){1|H<1>,2|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]Si[6]){1|C<4>,1|N<3>,1|O<2>,2|C<3>,3|H<1>}	117.3380	0.000	1	117.3380	0.000	1	121.4626	7.079	7	120.2948	3.993	33	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:4:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]P[6]S)(CH3)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]P[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|Cl<1>,1|C<3>,1|H<1>,1|P<4>,1|S<4>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]P[6]S)(CH3)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]P[6]){1|C<3>,1|N<3>,1|O<1>,2|C<4>,3|H<1>}	118.7700	0.000	1	118.7700	0.000	1	121.4626	7.079	7	120.2948	3.993	33	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:4:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]S[6]H)(CCHH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]S[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|C<3>,1|S<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]S[6]H)(CCHH)(H){1|H<1>,1|O<2>,2|C<3>,2|O<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]S[6]){1|C<3>,1|C<4>,1|N<3>,2|O<1>,3|H<1>}	123.2280	0.000	1	123.3760	0.093	3	121.4626	7.079	7	120.2948	3.993	33	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:4:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]S[6]H)(CCHH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]S[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|Cl<1>,1|C<3>,1|S<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]S[6]H)(CCHH)(H){1|H<1>,1|O<2>,2|C<3>,2|O<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]S[6]){1|C<3>,1|C<4>,1|N<3>,2|O<1>,3|H<1>}	123.4500	0.390	2	123.3760	0.093	3	121.4626	7.079	7	120.2948	3.993	33	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:4:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]S[6]H)(CHHO)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]S[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|C<3>,1|S<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]S[6]H)(CHHO)(H){1|H<1>,1|O<2>,2|C<3>,2|O<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]S[6]){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>,2|O<1>}	123.7990	0.000	1	123.7990	0.000	1	121.4626	7.079	7	120.2948	3.993	33	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:4:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(CCCH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6])	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|S<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(CCCH)(H){1|H<1>,1|S<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6]){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	122.5870	0.000	1	122.5870	0.000	1	122.5870	0.000	1	120.2948	3.993	33	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:4:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:P-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]HP)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(PO3)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]HP){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(PO3)(H){1|H<1>,1|N<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|N<3>,1|P<4>,2|C<3>,3|H<1>}	116.5340	0.000	1	116.5340	0.000	1	116.5340	0.000	1	120.2948	3.993	33	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:4:1:	3:3:2:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]2)(O[6]C[6])	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H){3|H<1>,7|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]2)(O[6]C[6]){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	118.8400	0.000	1	118.8400	0.000	1	119.3745	0.943	4	120.2948	3.993	33	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:4:1:	3:3:2:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H){4|H<1>,6|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	119.3540	0.000	1	119.3540	0.000	1	119.3745	0.943	4	120.2948	3.993	33	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:4:1:	3:3:2:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]HO)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H){1|C<4>,1|O<2>,3|H<1>,5|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]HO)(H){1|O<2>,4|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,3|C<3>,4|H<1>}	120.7450	0.000	1	120.7450	0.000	1	119.3745	0.943	4	120.2948	3.993	33	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:4:1:	3:3:2:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]HP)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H){1|P<4>,3|H<1>,6|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]HP)(H){1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|H<1>,1|O<1>,1|O<2>,3|C<3>}	118.5590	0.000	1	118.5590	0.000	1	119.3745	0.943	4	120.2948	3.993	33	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:4:1:	3:3:3:	C[5a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6,6]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[5a,6a]C[5a,6a]C[5a])(C[6,6a]C[6a]N[6])(C[6]C[6,6]C[6]H)	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6]C[6,6]C[6])(C[6]C[6]2H)(H)	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]H)	C[6,6a](C[5a,6a]C[5a,6a]C[5a])(C[6,6a]C[6a]N[6])(C[6]C[6,6]C[6]H){1|N<2>,1|N<3>,2|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6]C[6,6]C[6])(C[6]C[6]2H)(H){1|N<3>,1|O<1>,3|C<3>,4|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]H){2|C<4>,2|H<1>,3|C<3>}	120.9650	0.000	1	120.9650	0.000	1	120.9650	0.000	1	118.7172	3.140	45	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:4:1:	3:3:3:	C[6,6a]-3:C[5,6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[5,6a]C[5,6a]O[5])(C[6]N[6]CH)	C[6](C[6,6a]C[5,6a]C[6,6a])(N[6]C[6,6a]C)(CC[6a]CH)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[5,6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[5,6a]C[5,6a]O[5])(C[6]N[6]CH){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[6](C[6,6a]C[5,6a]C[6,6a])(N[6]C[6,6a]C)(CC[6a]CH)(H){1|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[5,6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<2>,3|C<3>,3|H<1>}	117.6695	0.129	2	117.6695	0.017	2	117.6695	0.017	2	118.7172	3.140	45	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:4:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CH3)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|N<2>,2|H<1>,2|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CH3)(H){1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<4>,2|C<3>,3|H<1>}	121.7100	0.000	1	121.7100	0.000	1	121.7100	0.000	1	118.7172	3.140	45	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:4:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCHH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|Cl<1>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCHH)(H){1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,3|C<3>,3|H<1>}	118.2750	0.000	1	118.2750	0.000	1	120.0583	0.988	6	118.7172	3.140	45	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:4:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CC[6a]CN)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CC[6a]CN)(H){1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<4>,2|C<3>,4|H<1>}	120.0525	0.419	2	120.0525	0.176	2	120.0583	0.988	6	118.7172	3.140	45	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:4:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCHH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCHH)(H){1|C<2>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<2>,1|C<4>,2|C<3>,4|H<1>}	120.6567	0.505	3	120.6567	0.255	3	120.0583	0.988	6	118.7172	3.140	45	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:4:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C-4:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CCCN)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CO){1|C<3>,1|N<3>,2|H<1>,2|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CCCN)(O){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	119.9470	0.000	1	119.9470	0.000	1	119.9470	0.000	1	118.7172	3.140	45	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:4:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]C)(CCHH)(H)	C[6,6a](C[6,6]C[5,6]C[6,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]CH){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]C)(CCHH)(H){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6]C[5,6]C[6,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	117.4690	0.000	1	117.4690	0.000	1	117.4690	0.000	1	118.7172	3.140	45	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:4:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C)(CCHH)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]N[6]CH){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C)(CCHH)(H){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<2>,3|C<3>,3|H<1>}	118.9260	0.000	1	118.9260	0.000	1	118.0302	0.770	5	118.7172	3.140	45	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:4:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C[6a])(CCHH)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]N[6]CH){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C[6a])(CCHH)(H){1|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	118.1360	0.000	1	118.1360	0.000	1	118.0302	0.770	5	118.7172	3.140	45	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:4:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]N)(CCHH)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]N[6]CH){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]N)(CCHH)(H){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	116.8340	0.000	1	116.8340	0.000	1	118.0302	0.770	5	118.7172	3.140	45	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:4:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]S)(CH3)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]N[6]CH){1|H<1>,1|O<2>,1|S<4>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]S)(CH3)(H){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	118.7660	0.000	1	118.7660	0.000	1	118.0302	0.770	5	118.7172	3.140	45	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:4:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]O)(C[6]N[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C)(CC[6]HH)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]O)(C[6]N[6]CH){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C)(CC[6]HH)(H){1|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<2>,3|C<3>,3|H<1>}	117.4890	0.000	1	117.4890	0.000	1	118.0302	0.770	5	118.7172	3.140	45	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:4:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CCHH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CCHH)(H){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	118.9840	0.000	1	118.9840	0.000	1	118.8020	1.968	3	118.7172	3.140	45	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:4:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CH3)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CH3)(H){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	120.1050	0.000	1	120.1050	0.000	1	118.8020	1.968	3	118.7172	3.140	45	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:4:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6]S)(CCHH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|N<2>,1|S<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6]S)(CCHH)(H){1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	117.3170	0.000	1	117.3170	0.000	1	118.8020	1.968	3	118.7172	3.140	45	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:4:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CCHH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH){3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CCHH)(H){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	118.1360	0.000	1	118.1360	0.000	1	118.4125	2.881	11	118.7172	3.140	45	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:4:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]N)(CCHH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]N)(CCHH)(H){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	118.5060	0.000	1	118.5060	0.000	1	118.4125	2.881	11	118.7172	3.140	45	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:4:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]N)(CC[6a]CH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|Cl<1>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]N)(CC[6a]CH)(H){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	116.7230	0.000	1	116.7230	0.000	1	118.4125	2.881	11	118.7172	3.140	45	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:4:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(CCCH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|C<3>,1|C<4>,1|O<1>,1|S<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(CCCH)(H){3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	119.2270	0.000	1	119.2270	0.000	1	118.4125	2.881	11	118.7172	3.140	45	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:4:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(CCHH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(CCHH)(H){3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2){1|C<3>,1|N<3>,3|C<4>,5|H<1>}	118.5250	0.000	1	118.5250	0.000	1	118.4125	2.881	11	118.7172	3.140	45	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:4:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(CCHH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|O<1>,1|S<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(CCHH)(H){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	121.0200	0.000	1	121.0200	0.000	1	118.4125	2.881	11	118.7172	3.140	45	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:4:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(CH3)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|C<2>,1|C<3>,1|C<4>,1|S<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(CH3)(H){3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	121.3890	0.000	1	120.0245	3.724	2	118.4125	2.881	11	118.7172	3.140	45	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:4:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(CH3)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|S<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(CH3)(H){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	118.6600	0.000	1	120.0245	3.724	2	118.4125	2.881	11	118.7172	3.140	45	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:4:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CCHH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|F<1>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CCHH)(H){1|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	116.3550	0.000	1	116.3550	0.000	1	118.4125	2.881	11	118.7172	3.140	45	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:4:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6]C)(CCHH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6]C)(CCHH)(H){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	117.7870	0.000	1	117.7870	0.000	1	118.4125	2.881	11	118.7172	3.140	45	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:4:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6]C)(CC[6a]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|C<3>,1|C<4>,1|N<2>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6]C)(CC[6a]HH)(H){1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	116.2100	0.000	1	116.2100	0.000	1	118.4125	2.881	11	118.7172	3.140	45	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:4:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CCCH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]CH){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CCCH)(H){1|Ir<6>,1|H<1>,1|N<3>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|Ir<6>,1|C<3>,1|C<4>,1|N<3>,3|H<1>}	115.9830	2.209	2	115.9830	4.880	2	117.0479	1.745	7	118.7172	3.140	45	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:4:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CCHH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]CH){3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CCHH)(H){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	117.6215	0.407	2	117.4738	0.603	5	117.0479	1.745	7	118.7172	3.140	45	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:4:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CCHH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]CH){3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CCHH)(H){1|H<1>,1|N<3>,1|S<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|C<4>,1|N<3>,1|S<1>,3|H<1>}	117.8725	0.832	2	117.4738	0.603	5	117.0479	1.745	7	118.7172	3.140	45	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:4:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CCHH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]CH){3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CCHH)(H){1|H<1>,1|N<3>,1|S<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,1|S<1>,2|H<1>}	116.3810	0.000	1	117.4738	0.603	5	117.0479	1.745	7	118.7172	3.140	45	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:4:1:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6,6a]-3:C-4:H-1:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]N[6])(C[6]C[6,6a]CH)	C[6](C[6,6a]C[6a,6a]C[6,6a])2(CH3)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]N[6])(C[6]C[6,6a]CH){3|H<1>,5|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])2(CH3)(H){1|N<3>,6|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	119.6405	0.337	2	119.6405	0.114	2	119.6405	0.114	2	118.7172	3.140	45	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:4:1:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]N[6])(C[6]C[6]CH)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]N[6]O)(CCHH)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(N[6]N[6]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]N[6])(C[6]C[6]CH){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]N[6]O)(CCHH)(H){1|N<3>,4|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(N[6]N[6]H){1|C<4>,2|H<1>,4|C<3>}	116.7960	0.000	1	116.7960	0.000	1	116.7960	0.000	1	118.7172	3.140	45	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:4:1:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]N[6a]O)(C[6]C[6]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H){1|N<3>,1|O<1>,3|H<1>,6|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|H<1>,1|N<3>,1|O<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]N[6a]O)(C[6]C[6]H){1|C<4>,2|H<1>,4|C<3>}	119.7750	0.000	1	119.7750	0.000	1	120.4970	5.250	4	118.7172	3.140	45	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:4:1:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]HS)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H){1|C<4>,1|S<4>,3|H<1>,6|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]HS)(H){4|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<4>,3|C<3>,4|H<1>}	122.3215	0.060	2	122.3215	0.004	2	120.4970	5.250	4	118.7172	3.140	45	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:4:1:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]N[6]HH)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H){1|N<3>,5|C<3>,5|H<1>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]N[6]HH)(H){2|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H){1|C<4>,2|H<1>,4|C<3>}	117.5700	0.000	1	117.5700	0.000	1	120.4970	5.250	4	118.7172	3.140	45	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:4:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]O)(CCHH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]CH){1|C<4>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]O)(CCHH)(H){1|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HH){1|C<4>,2|H<1>,3|C<3>}	117.0240	0.000	1	117.0240	0.000	1	118.4711	4.795	9	120.5280	3.557	52	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:4:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(CC[5a]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|C<4>,1|N<2>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(CC[5a]HH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,2|C<3>,5|H<1>}	118.9100	0.000	1	118.9100	0.000	1	118.4711	4.795	9	120.5280	3.557	52	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:4:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(CCHH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(CCHH)(H){1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|C<4>,2|C<3>,3|H<1>}	117.2480	0.000	2	117.2480	0.000	2	118.4711	4.795	9	120.5280	3.557	52	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:4:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CH3)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|N<3>,1|O<1>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CH3)(H){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|C<4>,3|C<3>,3|H<1>}	117.4095	0.052	2	117.4095	0.003	2	118.4711	4.795	9	120.5280	3.557	52	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:4:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]O)(CCHH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|O<1>,1|O<2>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]O)(CCHH)(H){1|C<4>,1|H<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HH){1|C<4>,2|C<3>,3|H<1>}	116.6950	0.000	1	116.6950	0.000	1	118.4711	4.795	9	120.5280	3.557	52	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:4:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]CH){3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	122.7090	0.000	1	122.7090	0.000	1	118.4711	4.795	9	120.5280	3.557	52	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:4:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCHH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]CH){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCHH)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	121.5870	0.000	1	121.5870	0.000	1	118.4711	4.795	9	120.5280	3.557	52	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:4:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6])(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2H){1|C<4>,1|O<2>,3|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6])(C[6]C[6]HH)(H){2|C<4>,4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH){1|C<4>,2|C<3>,5|H<1>}	121.5100	0.000	1	121.5100	0.000	1	121.8930	0.560	3	120.5280	3.557	52	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:4:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6])(C[6]C[6]HS)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2H){1|S<4>,3|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6])(C[6]C[6]HS)(H){1|C<4>,4|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|C<4>,2|C<3>,5|H<1>}	122.7550	0.000	1	122.7550	0.000	1	121.8930	0.560	3	120.5280	3.557	52	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:4:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]I)(C[6]C[6]2H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6])(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]I)(C[6]C[6]2H){1|C<4>,1|O<2>,3|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6])(C[6]C[6]HH)(H){2|C<4>,2|H<1>,2|I<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH){1|C<4>,1|I<1>,2|C<3>,4|H<1>}	121.4140	0.000	1	121.4140	0.000	1	121.8930	0.560	3	120.5280	3.557	52	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:4:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5a,6a]H)(C[6]N[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CH3)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5a,6a]C)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5a,6a]H)(C[6]N[6]CH){2|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CH3)(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5a,6a]C)(C[6]C[6]HH){1|C<3>,1|C<4>,2|N<3>,4|H<1>}	121.7810	0.000	1	121.7810	0.000	1	121.1358	1.940	33	120.5280	3.557	52	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:4:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CCCH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CCCH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	120.3790	0.000	1	120.3790	0.000	1	121.1358	1.940	33	120.5280	3.557	52	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:4:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CCHH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CCHH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	121.6590	0.000	1	122.4036	0.297	5	121.1358	1.940	33	120.5280	3.557	52	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:4:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CCHH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CCHH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	122.5367	0.479	3	122.4036	0.297	5	121.1358	1.940	33	120.5280	3.557	52	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:4:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CCHH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CCHH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	122.7490	0.000	1	122.4036	0.297	5	121.1358	1.940	33	120.5280	3.557	52	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:4:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CC[6a]CH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CC[6a]CH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	122.0450	0.000	1	122.0450	0.000	1	121.1358	1.940	33	120.5280	3.557	52	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:4:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CC[6a]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CC[6a]HH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	121.1957	0.499	3	121.4786	0.485	7	121.1358	1.940	33	120.5280	3.557	52	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:4:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CC[6a]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CC[6a]HH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	121.0300	0.489	2	121.4786	0.485	7	121.1358	1.940	33	120.5280	3.557	52	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:4:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CC[6a]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CC[6a]HH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	122.3515	0.081	2	121.4786	0.485	7	121.1358	1.940	33	120.5280	3.557	52	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:4:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CH3)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CH3)(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	122.5790	0.000	1	122.5790	0.000	1	121.1358	1.940	33	120.5280	3.557	52	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:4:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CHHO)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CHHO)(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	122.1450	0.000	1	122.1450	0.000	1	121.1358	1.940	33	120.5280	3.557	52	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:4:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CHHO)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HS)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|C<4>,1|H<1>,1|S<2>,2|C<3>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CHHO)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HS){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	118.9920	1.133	2	118.9920	1.283	2	121.1358	1.940	33	120.5280	3.557	52	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:4:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(CH3)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(CH3)(H){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<4>,1|N<3>,1|O<2>,2|C<3>,3|H<1>}	121.4420	0.000	1	121.4420	0.000	1	121.1358	1.940	33	120.5280	3.557	52	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:4:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(CHHO)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(CHHO)(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	121.2660	1.539	2	121.2660	2.367	2	121.1358	1.940	33	120.5280	3.557	52	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:4:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]N)(CCHN)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]N)(CCHN)(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	122.0870	0.000	1	122.0870	0.000	1	121.1358	1.940	33	120.5280	3.557	52	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:4:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]O)(CCHO)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]O)(CCHO)(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	119.3000	0.000	1	119.3000	0.000	1	121.1358	1.940	33	120.5280	3.557	52	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:4:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(CC[6a]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|C<3>,1|C<4>,1|O<2>,1|S<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(CC[6a]HH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	121.6790	0.000	1	121.6790	0.000	1	121.1358	1.940	33	120.5280	3.557	52	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:4:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CCFF)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CCFF)(H){1|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	119.8540	0.000	1	119.8540	0.000	1	121.1358	1.940	33	120.5280	3.557	52	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:4:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CC[5a]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CC[5a]HH)(H){1|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	121.3530	0.000	1	121.3530	0.000	1	121.1358	1.940	33	120.5280	3.557	52	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:4:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CC[6a]CH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CC[6a]CH)(H){1|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	118.7697	1.264	3	118.7697	1.598	3	121.1358	1.940	33	120.5280	3.557	52	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:4:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CCl3)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CCl3)(H){1|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	119.4690	0.000	1	119.4690	0.000	1	121.1358	1.940	33	120.5280	3.557	52	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:4:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]N[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CC[6a]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]N[6]CH){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CC[6a]HH)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,2|O<2>,3|H<1>}	122.0875	0.624	2	122.0875	0.390	2	121.1358	1.940	33	120.5280	3.557	52	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:4:1:	3:3:4:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]HS)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H){1|O<2>,1|S<4>,2|C<4>,3|H<1>,5|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]HS)(H){1|C<4>,4|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	117.5285	0.334	2	119.7224	3.246	7	119.7224	3.246	7	120.5280	3.557	52	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:4:1:	3:3:4:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]HS)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H){1|S<4>,2|C<4>,4|H<1>,5|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]HS)(H){1|C<4>,4|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	120.6000	1.213	5	119.7224	3.246	7	119.7224	3.246	7	120.5280	3.557	52	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:4:1:	3:4:3:	C[5,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:N[6,6]-3:C-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6a]C[6])(C[6]N[6,6]CH)	C[6](C[6,6a]C[5,6a]C[6,6a])(N[6,6]C[6,6]C[6])(CHHO)(H)	C[6,6a](C[6,6a]C[5,6a]C[6])(C[6]C[6,6]HS)(C[6a]C[6a]O)	C[6,6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6a]C[6])(C[6]N[6,6]CH){1|C<3>,1|H<1>,1|S<2>,2|O<2>,3|C<4>}	C[6](C[6,6a]C[5,6a]C[6,6a])(N[6,6]C[6,6]C[6])(CHHO)(H){2|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[6,6a](C[6,6a]C[5,6a]C[6])(C[6]C[6,6]HS)(C[6a]C[6a]O){1|C<3>,1|N<3>,1|O<2>,2|H<1>,3|C<4>}	123.5590	0.000	1	123.5590	0.000	1	123.5590	0.000	1	122.5198	0.500	8	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:4:1:	3:4:3:	C[5,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6]C[6a])(C[6]N[6]CH)	C[6](C[6,6a]C[5,6a]C[6,6a])(N[6]C[6,6]C)(CCHH)(H)	C[6,6a](C[6,6a]C[5,6a]C[6])(C[6,6]C[6,6]C[6]C)(C[6a]C[6a]H)	C[6,6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6]C[6a])(C[6]N[6]CH){1|C<3>,1|H<1>,1|O<2>,5|C<4>}	C[6](C[6,6a]C[5,6a]C[6,6a])(N[6]C[6,6]C)(CCHH)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[5,6a]C[6])(C[6,6]C[6,6]C[6]C)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,2|O<2>,4|H<1>}	123.5430	0.000	1	123.5430	0.000	1	123.5430	0.000	1	122.5198	0.500	8	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:4:1:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCCH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5a]C[6]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|N<3>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCCH)(H){1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5a]C[6]H)(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	122.0033	0.220	3	122.0033	0.048	3	122.1760	0.133	6	122.5198	0.500	8	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:4:1:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCHH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5a]C[6]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|N<3>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCHH)(H){1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5a]C[6]H)(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	122.3990	0.612	2	122.3990	0.375	2	122.1760	0.133	6	122.5198	0.500	8	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:4:1:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CC[6a]CH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5a]C[6]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|N<3>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CC[6a]CH)(H){1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5a]C[6]H)(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	122.2480	0.000	1	122.2480	0.000	1	122.1760	0.133	6	122.5198	0.500	8	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:4:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C-4:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(CCl2C)(H)	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(CCl2C)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|Cl<1>,1|C<4>,1|N<3>,3|C<3>,3|H<1>}	121.4380	0.000	1	121.4380	0.000	1	121.3140	0.031	2	121.2350	2.347	4	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:4:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C-4:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCCH)(H)	C[6,6a](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CH){3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCCH)(H){1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,4|C<3>,4|H<1>}	121.1900	0.000	1	121.1900	0.000	1	121.3140	0.031	2	121.2350	2.347	4	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:4:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:S-4:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HS)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]O)(SC[6a]OO)(H)	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HS){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]O)(SC[6a]OO)(H){1|H<1>,2|C<3>,2|C<4>}	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,1|S<4>,2|C<3>,5|H<1>}	119.2870	0.000	1	119.2870	0.000	1	119.2870	0.000	1	121.2350	2.347	4	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:4:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]C)(CCHH)(H)	C[6,6a](C[5,6]C[5,6]C[5]Br)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]CH){1|Br<1>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]C)(CCHH)(H){1|H<1>,2|C<4>,3|C<3>}	C[6,6a](C[5,6]C[5,6]C[5]Br)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<4>,3|C<3>,4|H<1>}	123.0250	0.000	1	123.0250	0.000	1	123.0250	0.000	1	121.2350	2.347	4	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:4:2:	3:3:3:	C[5a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6,6a]-3:C-4:O-2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]CO)	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(CH3)(OH)	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]CO){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(CH3)(OH){1|H<1>,1|N<2>,5|C<3>}	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,1|O<2>,3|C<3>}	123.4630	1.029	4	123.2802	0.529	8	123.2859	0.463	9	120.8490	3.669	27	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:4:2:	3:3:3:	C[5a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6,6a]-3:C-4:O-2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]CO)	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(CH3)(OH)	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]CO){1|N<2>,1|O<1>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(CH3)(OH){1|H<1>,1|N<3>,5|C<3>}	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,3|C<3>}	123.0975	0.293	4	123.2802	0.529	8	123.2859	0.463	9	120.8490	3.669	27	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:4:2:	3:3:3:	C[5a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6,6a]-3:C-4:O-2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[5a,6a]C[5a,6a]O[5a])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]CO)	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(CCHH)(OH)	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O)	C[6,6a](C[5a,6a]C[5a,6a]O[5a])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]CO){1|O<1>,1|O<2>,5|C<3>}	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(CCHH)(OH){1|H<1>,1|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|C<4>,1|H<1>,2|O<2>,3|C<3>}	123.3310	0.000	1	123.3310	0.000	1	123.2859	0.463	9	120.8490	3.669	27	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:4:2:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C-4:O-2:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]CO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(CCCH)(OGe)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]C)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]CO){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(CCCH)(OGe){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]C){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	119.9780	0.000	1	119.9780	0.000	1	120.2310	0.081	5	120.8490	3.669	27	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:4:2:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C-4:O-2:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]CO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(CCHH)(OH)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]CO){1|O<1>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(CCHH)(OH){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	120.3340	0.348	2	120.3340	0.121	2	120.2310	0.081	5	120.8490	3.669	27	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:4:2:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C-4:O-2:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]CO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(CCHN)(OH)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]CO){1|O<1>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(CCHN)(OH){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	120.4970	0.000	1	120.4970	0.000	1	120.2310	0.081	5	120.8490	3.669	27	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:4:2:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C-4:O-2:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]CO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(CC[5a]HH)(OH)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]CO){1|O<1>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(CC[5a]HH)(OH){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	120.0120	0.000	1	120.0120	0.000	1	120.2310	0.081	5	120.8490	3.669	27	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:4:2:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C-4:O-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CO){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3)(OH){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]H){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	119.8315	0.176	2	119.8315	0.031	2	119.5289	0.309	9	120.8490	3.669	27	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:4:2:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C-4:O-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CO){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3)(OH){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	120.1610	0.000	1	120.1610	0.000	1	119.5289	0.309	9	120.8490	3.669	27	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:4:2:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C-4:O-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CCHH)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CO){1|C<3>,1|N<3>,2|H<1>,2|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CCHH)(OC){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	118.6460	0.305	2	118.6460	0.093	2	119.5289	0.309	9	120.8490	3.669	27	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:4:2:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C-4:O-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CC[5a]HH)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CO){1|C<3>,1|N<3>,2|H<1>,2|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CC[5a]HH)(OH){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	119.7970	0.209	2	119.7970	0.044	2	119.5289	0.309	9	120.8490	3.669	27	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:4:2:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C-4:O-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CC[6a]HH)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CO){1|C<3>,1|N<3>,2|H<1>,2|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CC[6a]HH)(OC){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	119.5250	0.136	2	119.5250	0.018	2	119.5289	0.309	9	120.8490	3.669	27	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:4:2:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:C-4:C-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CC[6a]CH)(CN)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CC){3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CC[6a]CH)(CN){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<2>,1|C<3>,1|C<4>,1|N<3>,3|H<1>}	117.1220	0.000	1	117.1220	0.000	1	117.1220	0.000	1	120.8490	3.669	27	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:4:2:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:C-4:O-2:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]CO)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(CF3)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]CO){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(CF3)(OC){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	119.9750	0.460	2	119.9750	0.211	2	119.9750	0.211	2	120.8490	3.669	27	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:4:2:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C-4:O-2:	C[6,6a]-3:C[5,6]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[5,6]C[6a])(C[6]C[6]CO)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[5,6]O)(CCHH)(OH)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[5,6]C[5,6]O[5])(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[5,6]C[6a])(C[6]C[6]CO){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[5,6]O)(CCHH)(OH){1|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[5,6]C[5,6]O[5])(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	119.3620	0.000	1	119.3620	0.000	1	119.3620	0.000	1	120.8490	3.669	27	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:4:2:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C-4:O-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[6]CO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]O)(CCHH)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]N[5,6a]O)(C[6]O[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[6]CO){1|C<4>,1|N<3>,1|O<2>,2|H<1>,2|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]O)(CCHH)(OC){1|C<4>,1|H<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]N[5,6a]O)(C[6]O[6]HH){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	119.1590	0.000	1	119.1590	0.000	1	118.9600	2.819	5	120.1094	3.622	9	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:4:2:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C-4:O-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[6]CO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]O)(CCHH)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]N[5,6a]O)(C[6]O[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[6]CO){1|C<3>,1|N<3>,1|O<2>,2|H<1>,2|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]O)(CCHH)(OH){1|C<4>,1|H<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]N[5,6a]O)(C[6]O[6]HH){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	117.9980	0.787	3	117.9980	0.619	3	118.9600	2.819	5	120.1094	3.622	9	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:4:2:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C-4:O-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CO){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3)(OC){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	121.6470	0.000	1	121.6470	0.000	1	118.9600	2.819	5	120.1094	3.622	9	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:4:2:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:C-4:C-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CCCH)(CN)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CC){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CCCH)(CN){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<2>,1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	121.4795	0.101	2	121.4795	0.010	2	121.5463	0.947	4	120.1094	3.622	9	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:4:2:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:C-4:C-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CH3)(CN)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CC){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CH3)(CN){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<2>,1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	121.6130	1.677	2	121.6130	2.813	2	121.5463	0.947	4	120.1094	3.622	9	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:4:3:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C-4:C-3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6a]O[6a]O)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCHH)(COO)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6])	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6a]O[6a]O)(C[6]C[6]CC){1|C<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCHH)(COO){1|C<3>,1|N<2>,1|O<1>,2|O<2>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6]){1|C<4>,1|H<1>,1|N<2>,1|O<1>,1|O<2>,4|C<3>}	122.7890	0.000	1	122.4555	0.222	2	122.4555	0.222	2	122.4555	0.222	2	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:4:3:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C-4:C-3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6a]O[6a]O)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCHH)(COO)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6])	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6a]O[6a]O)(C[6]C[6]CC){1|C<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCHH)(COO){1|C<3>,1|N<3>,1|O<1>,2|O<2>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6]){1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,4|C<3>}	122.1220	0.000	1	122.4555	0.222	2	122.4555	0.222	2	122.4555	0.222	2	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:4:3:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C-4:C-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCHH)(COO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|O<1>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCHH)(COO){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,3|C<3>,3|H<1>}	120.3720	0.000	1	120.3720	0.000	1	119.5583	0.736	3	119.7312	0.331	6	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:4:3:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C-4:C-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3)(CCH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|O<1>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3)(CCH){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){2|C<4>,2|H<1>,3|C<3>}	119.1515	0.692	2	119.1515	0.479	2	119.5583	0.736	3	119.7312	0.331	6	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:4:3:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C-4:N-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CN)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CC[6a]HH)(NCN)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CN){1|C<3>,1|N<3>,2|H<1>,2|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CC[6a]HH)(NCN){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	119.9090	0.041	2	119.9090	0.002	2	119.9090	0.002	2	119.7312	0.331	6	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:4:3:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:C-4:C-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(CF3)(CCH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]CC){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(CF3)(CCH){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	119.8940	0.000	1	119.8940	0.000	1	119.8940	0.000	1	119.7312	0.331	6	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:4:3:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C-4:C-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)(COO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)(COO){1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|C<4>,3|C<3>,3|H<1>}	122.5110	0.064	2	122.5110	0.004	2	122.5110	0.004	2	122.3100	0.123	3	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:4:3:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:C-4:C-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(CHHS)(COO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CC){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(CHHS)(COO){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<2>,2|C<3>,3|H<1>}	121.9080	0.000	1	121.9080	0.000	1	121.9080	0.000	1	122.3100	0.123	3	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:4:4:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCHH)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|Br<1>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCHH)(CH3){1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){2|C<3>,2|C<4>,3|H<1>}	122.7060	0.000	1	122.7060	0.000	1	122.7060	0.000	1	121.1964	0.727	5	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:4:4:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(CCHH)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]CC){2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(CCHH)2{1|H<1>,1|N<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	120.6140	0.000	1	120.6140	0.000	1	120.6140	0.000	1	121.1964	0.727	5	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:4:4:	3:3:2:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(CH3)2	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a])	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC){2|H<1>,5|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(CH3)2{1|H<1>,1|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,2|C<4>,4|C<3>}	120.8873	0.042	3	120.8873	0.002	3	120.8873	0.002	3	121.1964	0.727	5	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:4:4:	3:3:3:	C[5a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a](C[5a,6a]C[5a,6a]2)(C[6,6a]C[6a]N[6])(C[6]C[6,6a]CC)	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(CH3)2	C[6,6a](C[6,6a]C[5a,6a]C[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](C[5a,6a]C[5a,6a]2)(C[6,6a]C[6a]N[6])(C[6]C[6,6a]CC){1|H<1>,1|N<3>,6|C<3>}	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(CH3)2{1|H<1>,1|N<3>,5|C<3>}	C[6,6a](C[6,6a]C[5a,6a]C[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){1|H<1>,2|C<4>,6|C<3>}	121.3490	0.000	1	121.3490	0.000	1	121.3490	0.000	1	120.7143	2.252	41	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:4:4:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]N[6])(C[6]C[6,6a]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]2)(CH3)2	C[6,6a](C[6,6a]C[6,6a]C[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]N[6])(C[6]C[6,6a]CC){1|C<4>,2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]2)(CH3)2{1|H<1>,2|N<3>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,2|C<4>,5|C<3>}	121.1840	0.126	2	121.1840	0.016	2	121.1840	0.016	2	120.7143	2.252	41	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:4:4:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6,6]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6,6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6])(CCHH)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6,6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6,6]CC){1|O<1>,2|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6])(CCHH)2{1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6,6]O){1|H<1>,2|C<4>,4|C<3>}	120.2950	0.000	1	120.2950	0.000	1	120.2950	0.000	1	120.7143	2.252	41	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:4:4:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[5a,6a]H)(C[6]C[6,6a]CC)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C[6a])(C[6a]C[5a,6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[5a,6a]H)(C[6]C[6,6a]CC){1|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C[6a])(C[6a]C[5a,6a]H){1|H<1>,1|N<3>,2|C<4>,5|C<3>}	118.2120	0.000	1	118.2120	0.000	1	118.2120	0.000	1	120.7143	2.252	41	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:4:4:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C-4:C-4:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]O)(CCHH)(CH3)	C[6,6a](C[5a,6]N[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CC){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]O)(CCHH)(CH3){1|H<1>,4|C<3>}	C[6,6a](C[5a,6]N[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<4>,2|H<1>,5|C<3>}	121.9747	0.635	3	121.4750	1.268	4	121.4487	0.710	9	120.7143	2.252	41	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:4:4:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C-4:C-4:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]O)(CCHH)(CH3)	C[6,6a](C[5a,6]N[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CC){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]O)(CCHH)(CH3){1|H<1>,4|C<3>}	C[6,6a](C[5a,6]N[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|H<1>,3|C<4>,4|C<3>}	119.9760	0.000	1	121.4750	1.268	4	121.4487	0.710	9	120.7143	2.252	41	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:4:4:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C-4:C-4:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]O)(CCHH)(CH3)	C[6,6a](C[5a,6]N[5a,6]N[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CC){1|C<3>,1|N<2>,1|N<3>,1|O<1>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]O)(CCHH)(CH3){1|H<1>,4|C<3>}	C[6,6a](C[5a,6]N[5a,6]N[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<4>,2|H<1>,4|C<3>}	121.9040	0.561	2	121.9040	0.315	2	121.4487	0.710	9	120.7143	2.252	41	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:4:4:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C-4:C-4:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]O)(CH3)2	C[6,6a](C[5a,6]N[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CC){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]O)(CH3)2{1|H<1>,4|C<3>}	C[6,6a](C[5a,6]N[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<4>,2|H<1>,5|C<3>}	121.2420	0.000	1	121.2420	0.000	1	121.4487	0.710	9	120.7143	2.252	41	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:4:4:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C-4:C-4:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]O)(CHHP)(CH3)	C[6,6a](C[5a,6]N[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CC){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]O)(CHHP)(CH3){1|H<1>,4|C<3>}	C[6,6a](C[5a,6]N[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<4>,2|H<1>,5|C<3>}	120.4210	0.000	1	120.4210	0.000	1	121.4487	0.710	9	120.7143	2.252	41	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:4:4:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C-4:C-4:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]O)(CHHS)(CH3)	C[6,6a](C[5a,6]N[5a,6]N[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CC){1|C<3>,1|N<2>,1|N<3>,1|O<1>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]O)(CHHS)(CH3){1|H<1>,4|C<3>}	C[6,6a](C[5a,6]N[5a,6]N[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<4>,2|H<1>,4|C<3>}	121.6670	0.000	1	121.6670	0.000	1	121.4487	0.710	9	120.7143	2.252	41	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:4:4:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C-4:C-4:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]N)(CCHH)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5]N[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|C<3>,1|N<3>,2|H<1>,2|N<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]N)(CCHH)2{1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5]N[6])(C[6a]C[6a]H){2|C<3>,2|H<1>,4|C<4>}	118.3850	0.000	1	118.3850	0.000	1	118.3850	0.000	1	120.7143	2.252	41	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:4:4:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]O)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]H)(C[6]C[6]CC){1|C<4>,1|O<1>,2|C<3>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3)2{1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]O)(C[6]C[6]O){1|H<1>,2|C<3>,4|C<4>}	121.5970	0.000	1	121.5970	0.000	1	120.5760	0.675	16	120.7143	2.252	41	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:4:4:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCHH)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|O<1>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCHH)(CH3){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){2|C<3>,2|H<1>,3|C<4>}	119.8930	0.000	1	119.8930	0.000	1	120.5760	0.675	16	120.7143	2.252	41	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:4:4:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CHHN)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|O<1>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CHHN)(CH3){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){2|C<4>,2|H<1>,3|C<3>}	120.5270	0.000	1	120.5270	0.000	1	120.5760	0.675	16	120.7143	2.252	41	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:4:4:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]N)(CCHH)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]N)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|C<3>,1|N<3>,2|H<1>,2|N<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]N)(CCHH)2{1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]N){2|C<3>,2|C<4>,2|H<1>}	120.9780	0.035	2	120.9780	0.001	2	120.5760	0.675	16	120.7143	2.252	41	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:4:4:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CBrHH)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|C<3>,1|N<3>,2|H<1>,2|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CBrHH)(CH3){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O){2|C<3>,2|H<1>,3|C<4>}	120.9980	0.000	1	120.9980	0.000	1	120.5760	0.675	16	120.7143	2.252	41	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:4:4:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CCHH)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CCHH)(CH3){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]C){2|C<3>,2|C<4>,3|H<1>}	118.3620	0.000	1	118.3620	0.000	1	120.5760	0.675	16	120.7143	2.252	41	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:4:4:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CCHH)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|C<3>,1|F<1>,1|H<1>,1|N<3>,2|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CCHH)(CH3){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O){2|C<3>,2|H<1>,3|C<4>}	120.8680	0.000	1	120.4165	0.273	4	120.5760	0.675	16	120.7143	2.252	41	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:4:4:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CCHH)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CCHH)(CH3){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O){2|C<3>,2|H<1>,3|C<4>}	120.7000	0.000	1	120.4165	0.273	4	120.5760	0.675	16	120.7143	2.252	41	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:4:4:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CCHH)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|C<3>,1|N<3>,2|H<1>,2|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CCHH)(CH3){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O){2|C<3>,2|H<1>,3|C<4>}	120.0490	0.515	2	120.4165	0.273	4	120.5760	0.675	16	120.7143	2.252	41	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:4:4:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CH3)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|C<3>,1|N<3>,2|H<1>,2|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CH3)2{1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	120.9308	0.771	4	120.9308	0.595	4	120.5760	0.675	16	120.7143	2.252	41	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:4:4:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CHHN)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|C<3>,1|N<3>,2|H<1>,2|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CHHN)(CH3){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O){2|C<3>,2|H<1>,3|C<4>}	120.4940	0.000	1	120.4940	0.000	1	120.5760	0.675	16	120.7143	2.252	41	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:4:4:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|B<3>,1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)2{1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){2|C<3>,2|C<4>,3|H<1>}	120.1040	0.767	2	120.1040	0.588	2	120.1040	0.588	2	120.7143	2.252	41	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:4:4:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C-4:C-4:	C[6,6a]-3:P[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]P[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)2	C[6,6a](C[6,6a]C[6a]C[6])(P[6]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]P[6])(C[6a]C[6a]H)(C[6]C[6]CC){3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)2{1|Br<1>,1|H<1>,1|P<3>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(P[6]C[6a]C[6])(C[6a]C[6a]H){1|Br<1>,2|C<4>,2|H<1>,4|C<3>}	124.8540	0.430	2	124.8540	0.185	2	124.8540	0.185	2	120.7143	2.252	41	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:4:4:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:C-4:C-4:	C[6,6a]-3:C[6,6a]-3:N[6a]-3:	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a,6a]O)(C[6]N[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]H)(CH3)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a,6a]H)	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a,6a]O)(C[6]N[6]CC){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]H)(CH3)2{1|N<3>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a,6a]H){1|H<1>,1|N<3>,1|O<1>,2|C<4>,4|C<3>}	120.4795	0.598	2	120.4795	0.357	2	120.4795	0.357	2	120.7143	2.252	41	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:4:4:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]N[6])(CCHH)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CC){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]N[6])(CCHH)2{1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]C){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	117.6105	0.094	2	117.6105	0.009	2	117.6105	0.009	2	120.7143	2.252	41	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:4:4:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(CC[6a]CH)(CF3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]CC){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(CC[6a]CH)(CF3){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	120.5170	0.000	1	120.5170	0.000	1	120.5170	0.000	1	120.7143	2.252	41	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:4:4:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:C-4:P-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]CP)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(CF3)(PO3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]CP){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(CF3)(PO3){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|P<4>,2|H<1>}	119.8100	0.000	1	119.8100	0.000	1	119.8100	0.000	1	120.7143	2.252	41	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:4:4:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C-4:C-4:	C[5a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]O)(CCHH)(CHHN)	C[6,6a](C[5a,6a]C[5a,6a]2)(C[6,6a]C[6a]C[6])(C[6]O[6]HH)	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]O)(CCHH)(CHHN){1|C<4>,1|H<1>,2|C<3>}	C[6,6a](C[5a,6a]C[5a,6a]2)(C[6,6a]C[6a]C[6])(C[6]O[6]HH){1|H<1>,1|N<3>,2|C<4>,4|C<3>}	121.0810	0.000	1	121.0810	0.000	1	121.0810	0.000	1	121.4989	0.810	11	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:4:4:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCCH)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC){2|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCCH)(CH3){1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){2|C<3>,2|C<4>,3|H<1>}	122.7330	0.000	1	122.7330	0.000	1	121.3779	0.925	8	121.4989	0.810	11	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:4:4:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CC[6a]HH)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CC[6a]HH)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	122.5640	0.000	1	122.5640	0.000	1	121.3779	0.925	8	121.4989	0.810	11	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:4:4:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(CC[6a]HH)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|C<3>,1|N<2>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(CC[6a]HH)2{1|C<4>,1|H<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH){2|C<3>,2|C<4>,2|H<1>}	119.7580	0.000	1	119.7580	0.000	1	121.3779	0.925	8	121.4989	0.810	11	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:4:4:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCHH)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]CC){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCHH)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	121.1936	0.332	5	121.1936	0.110	5	121.3779	0.925	8	121.4989	0.810	11	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:4:4:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CHHO)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CC){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CHHO)(CH3){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|N<3>,1|O<2>,2|C<4>,3|H<1>}	122.6240	0.000	1	122.6240	0.000	1	122.1920	0.373	2	121.4989	0.810	11	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:4:4:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CHHS)(CF3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CC){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CHHS)(CF3){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|N<3>,1|O<2>,2|C<4>,3|H<1>}	121.7600	0.000	1	121.7600	0.000	1	122.1920	0.373	2	121.4989	0.810	11	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:4:4:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C-4:C-4:	C[6,6a]-3:P[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]P[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)2	C[6,6a](C[6,6a]C[6a]C[6])(P[6]C[6a]C[6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]P[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|O<1>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)2{1|C<4>,1|H<1>,1|P<4>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(P[6]C[6a]C[6]O)(C[6a]C[6a]H){2|H<1>,3|C<4>,4|C<3>}	124.1380	0.000	1	123.9850	0.082	4	123.5556	2.341	11	123.5556	2.341	11	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:4:4:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C-4:C-4:	C[6,6a]-3:P[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]P[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)2	C[6,6a](C[6,6a]C[6a]C[6])(P[6]C[6a]C[6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]P[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|O<1>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)2{1|H<1>,1|P<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(P[6]C[6a]C[6]O)(C[6a]C[6a]H){2|C<4>,2|H<1>,5|C<3>}	123.7520	0.122	2	123.9850	0.082	4	123.5556	2.341	11	123.5556	2.341	11	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:4:4:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C-4:C-4:	C[6,6a]-3:P[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]P[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)2	C[6,6a](C[6,6a]C[6a]C[6])(P[6]C[6a]C[6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]P[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|O<1>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)2{1|P<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(P[6]C[6a]C[6]O)(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	124.2980	0.000	1	123.9850	0.082	4	123.5556	2.341	11	123.5556	2.341	11	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:4:4:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C-4:C-4:	C[6,6a]-3:P[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]P[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)2	C[6,6a](C[6,6a]C[6a]C[6])(P[6]C[6a]C[6]Pd)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]P[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|Pd<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)2{1|Br<1>,1|H<1>,1|P<4>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(P[6]C[6a]C[6]Pd)(C[6a]C[6a]H){1|Br<1>,2|C<4>,2|H<1>,4|C<3>}	122.6870	0.000	1	121.6320	2.226	2	123.5556	2.341	11	123.5556	2.341	11	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:4:4:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C-4:C-4:	C[6,6a]-3:P[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]P[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)2	C[6,6a](C[6,6a]C[6a]C[6])(P[6]C[6a]C[6]Pd)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]P[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|Pd<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)2{1|P<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(P[6]C[6a]C[6]Pd)(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	120.5770	0.000	1	121.6320	2.226	2	123.5556	2.341	11	123.5556	2.341	11	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:4:4:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C-4:C-4:	C[6,6a]-3:P[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]P[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)2	C[6,6a](C[6,6a]C[6a]C[6])(P[6]C[6a]C[6]Pt)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]P[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|Pt<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)2{1|Br<1>,1|H<1>,1|P<4>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(P[6]C[6a]C[6]Pt)(C[6a]C[6a]H){1|Br<1>,2|C<4>,2|H<1>,4|C<3>}	124.5627	2.007	3	123.9816	2.973	5	123.5556	2.341	11	123.5556	2.341	11	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:4:4:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-3:C-4:C-4:	C[6,6a]-3:P[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]P[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)2	C[6,6a](C[6,6a]C[6a]C[6])(P[6]C[6a]C[6]Pt)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]P[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|Pt<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)2{1|P<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(P[6]C[6a]C[6]Pt)(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	123.1100	1.140	2	123.9816	2.973	5	123.5556	2.341	11	123.5556	2.341	11	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:4:4:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-3:C-4:C-4:	C[4x6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[4x6]C[6a])(C[6a]C[6a]H)(C[6]N[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[3x6]O)(CH3)2	C[6,6a](C[4x6]C[3x6]C[6,6]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[4x6]C[6a])(C[6a]C[6a]H)(C[6]N[6]CC){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[3x6]O)(CH3)2{1|H<1>,2|C<3>,3|C<4>}	C[6,6a](C[4x6]C[3x6]C[6,6]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|N<3>,6|C<4>,6|H<1>}	123.4700	0.000	1	123.4700	0.000	1	123.4700	0.000	1	123.4700	0.000	1	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:2:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:O[6a]-2:O[6]-2:	C[6,6a](C[6,6a]O[6a]O[6])(C[6a]C[6a,6a]O)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(O[6a]C[6a,6a])(O[6]C[6])	C[6,6a](C[6,6a]O[6a]O[6])(C[6a]C[6a,6a]O)(C[6]C[6]HH){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,2|O<2>}	C[6,6a](C[6,6a]C[6a]C[6])(O[6a]C[6a,6a])(O[6]C[6]){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	119.2040	0.000	1	119.2040	0.000	1	119.2040	0.000	1	119.2040	0.000	1	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:2:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:N[6a]-2:C[6]-3:	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(C[6]C[6]C)	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH){1|C<4>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|N<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(C[6]C[6]C){1|C<4>,3|C<3>,4|H<1>}	118.6300	0.264	2	118.6300	0.070	2	118.3640	0.247	3	119.2420	2.790	7	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:2:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:N[6a]-2:C[6]-3:	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(C[6]C[6]N)	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(C[6]C[6]N){1|Cl<1>,1|C<3>,2|C<4>,3|H<1>}	117.8320	0.000	1	117.8320	0.000	1	118.3640	0.247	3	119.2420	2.790	7	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:2:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:N[6a]-2:N[6]-3:	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(N[6]C[6]S)	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|S<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(N[6]C[6]S){1|C<4>,3|C<3>,4|H<1>}	121.3910	0.000	1	121.3910	0.000	1	121.3910	0.000	1	119.2420	2.790	7	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:2:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:O[6a]-2:C[6]-3:	C[6,6a](C[6,6a]O[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(O[6a]C[6a,6a])(C[6]C[6]C)	C[6,6a](C[6,6a]O[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6]HH){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(O[6a]C[6a,6a])(C[6]C[6]C){1|C<4>,2|C<3>,5|H<1>}	116.9250	0.000	1	116.9250	0.000	1	116.9250	0.000	1	119.2420	2.790	7	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:2:3:	C[6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:N[6a]-2:C[6]-3:	C[6,6a](C[6a]C[6a,6a]C[6a])(C[6,6a]N[6a]C[6])(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]C)	C[6,6a](C[6a]C[6a,6a]C[6a])(C[6,6a]N[6a]C[6])(C[6]C[6]HH){1|C<4>,2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|N<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]C){1|C<4>,1|N<2>,2|C<3>,4|H<1>}	120.7430	0.000	1	120.7430	0.000	1	120.6430	0.020	2	119.2420	2.790	7	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:2:3:	C[6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:N[6a]-2:C[6]-3:	C[6,6a](C[6a]C[6a,6a]C[6a])(C[6,6a]N[6a]C[6])(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]O)	C[6,6a](C[6a]C[6a,6a]C[6a])(C[6,6a]N[6a]C[6])(C[6]C[6]HH){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|N<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]O){1|C<4>,3|C<3>,4|H<1>}	120.5430	0.000	1	120.5430	0.000	1	120.6430	0.020	2	119.2420	2.790	7	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:2:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:N[6a]-2:C[6]-4:	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[5,6a]N)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[5,6a])(C[6]C[6]HH)	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[5,6a]N)(C[6]C[6]HH){1|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[5,6a])(C[6]C[6]HH){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	120.9250	0.000	1	120.9250	0.000	1	121.0262	0.554	12	121.0311	0.515	14	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:2:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:N[6a]-2:C[6]-4:	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6,6a]N)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6,6a])(C[6]C[6]HH)	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6,6a]N)(C[6]C[6]HH){1|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6,6a])(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	122.1920	0.000	1	122.1920	0.000	1	121.0262	0.554	12	121.0311	0.515	14	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:2:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:N[6a]-2:C[6]-4:	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]C)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]HH)	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]C)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<3>,1|N<2>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]HH){2|C<3>,2|C<4>,4|H<1>}	119.8785	0.013	2	119.8785	0.000	2	121.0262	0.554	12	121.0311	0.515	14	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:2:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:N[6a]-2:C[6]-4:	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]Cl)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]HH)	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]Cl)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|Cl<1>,1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]HH){1|Cl<1>,1|C<4>,2|C<3>,4|H<1>}	120.3250	0.000	1	120.3250	0.000	1	121.0262	0.554	12	121.0311	0.515	14	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:2:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:N[6a]-2:C[6]-4:	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]HH)	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6]HH){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,1|N<2>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]HH){1|C<4>,2|C<3>,5|H<1>}	121.9560	0.000	1	121.9560	0.000	1	121.0262	0.554	12	121.0311	0.515	14	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:2:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:N[6a]-2:C[6]-4:	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]HH)	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]HH){1|C<4>,2|C<3>,5|H<1>}	121.1330	0.255	3	121.1330	0.065	3	121.0262	0.554	12	121.0311	0.515	14	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:2:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:N[6a]-2:C[6]-4:	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]HH)	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6]HH){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)2{1|C<4>,1|N<2>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]HH){1|C<4>,2|C<3>,5|H<1>}	121.3840	0.560	2	121.3840	0.314	2	121.0262	0.554	12	121.0311	0.515	14	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:2:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:N[6a]-2:C[6]-4:	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]N[5a,6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[5a,6a])(C[6]C[6]HH)	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]N[5a,6a]H)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,1|N<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[5a,6a])(C[6]C[6]HH){1|C<4>,1|N<2>,1|N<3>,5|H<1>}	120.9920	0.000	1	120.9920	0.000	1	121.0262	0.554	12	121.0311	0.515	14	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:2:4:	C[6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:N[6a]-2:C[6]-4:	C[6,6a](C[6a]C[6,6a]C[6a])(C[6,6a]N[6a]C[6])(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6,6a])(C[6]C[6]HH)	C[6,6a](C[6a]C[6,6a]C[6a])(C[6,6a]N[6a]C[6])(C[6]C[6]HH){1|C<4>,4|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6,6a])(C[6]C[6]HH){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	121.6100	0.000	1	121.6100	0.000	1	121.0605	0.604	2	121.0311	0.515	14	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:2:4:	C[6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:N[6a]-2:C[6]-4:	C[6,6a](C[6a]C[6a,6a]C[6a])(C[6,6a]N[6a]C[6])(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]HH)	C[6,6a](C[6a]C[6a,6a]C[6a])(C[6,6a]N[6a]C[6])(C[6]C[6]HH){1|C<4>,4|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]HH){1|C<4>,3|C<3>,4|H<1>}	120.5110	0.000	1	120.5110	0.000	1	121.0605	0.604	2	121.0311	0.515	14	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]O[6])(C[6]C[6,6]HH)	C[6](C[6,6a]C[6,6a]2)(C[6,6]C[6,6]2H)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(O[6]C[6,6])	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]O[6])(C[6]C[6,6]HH){1|Cl<1>,2|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]2)(C[6,6]C[6,6]2H)(H)2{1|O<2>,2|C<3>,6|C<4>}	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(O[6]C[6,6]){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	118.8300	0.000	1	118.8300	0.000	1	120.3763	1.535	9	119.9187	1.940	217	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]O[6])(C[6]C[6,6]HH)	C[6](C[6,6a]C[6,6a]2)(C[6,6]C[6,6]2H)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]O[6])(C[6]C[6,6]HH){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]2)(C[6,6]C[6,6]2H)(H)2{1|O<2>,3|C<3>,5|C<4>}	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	119.9210	0.000	1	119.8004	0.264	5	120.3763	1.535	9	119.9187	1.940	217	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]O[6])(C[6]C[6,6]HH)	C[6](C[6,6a]C[6,6a]2)(C[6,6]C[6,6]2H)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]O[6])(C[6]C[6,6]HH){2|C<3>,3|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]2)(C[6,6]C[6,6]2H)(H)2{1|O<2>,2|C<3>,6|C<4>}	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	119.4460	0.139	2	119.8004	0.264	5	120.3763	1.535	9	119.9187	1.940	217	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]O[6])(C[6]C[6,6]HH)	C[6](C[6,6a]C[6,6a]2)(C[6,6]C[6,6]2H)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]O[6])(C[6]C[6,6]HH){2|C<3>,3|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]2)(C[6,6]C[6,6]2H)(H)2{1|O<2>,3|C<3>,5|C<4>}	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	120.0945	0.773	2	119.8004	0.264	5	120.3763	1.535	9	119.9187	1.940	217	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6,6a]O[6])(C[6,6a]C[6a]O[6])(C[6]C[6,6]HH)	C[6](C[6,6a]C[6,6a]2)(C[6,6]C[6,6]2H)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	C[6,6a](C[6,6a]C[6,6a]O[6])(C[6,6a]C[6a]O[6])(C[6]C[6,6]HH){2|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6a]C[6,6a]2)(C[6,6]C[6,6]2H)(H)2{2|C<3>,2|O<2>,5|C<4>}	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	121.8517	0.567	3	121.8517	0.321	3	120.3763	1.535	9	119.9187	1.940	217	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:N[6a]-2:	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]2)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]2)(C[6]C[6,6a]HH)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a])	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]2)(C[6]C[6]HH){1|C<4>,2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]2)(C[6]C[6,6a]HH)(H)2{1|N<2>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]C[6])(N[6a]C[6a]){1|C<4>,3|H<1>,5|C<3>}	116.9060	0.000	1	116.9060	0.000	1	116.9060	0.000	1	119.9187	1.940	217	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6,6a]O[6])2(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6])2(O[6]C[6])	C[6,6a](C[6,6a]C[6,6a]O[6])2(C[6]C[6]HH){2|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(H)2{1|O<1>,2|C<3>,2|O<2>}	C[6,6a](C[6,6a]C[6,6a]C[6])2(O[6]C[6]){1|C<3>,1|O<1>,2|C<4>,2|O<2>,4|H<1>}	119.5110	0.575	3	119.5110	0.331	3	119.5110	0.331	3	119.9187	1.940	217	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]O[6])(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(O[6]C[6])	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]O[6])(C[6]C[6]HH){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(O[6]C[6]){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	118.6000	0.000	1	118.6000	0.000	1	120.4286	1.452	5	119.9187	1.940	217	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6,6a]O[6])(C[6,6a]C[6a]O[6])(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]CH)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(O[6]C[6])	C[6,6a](C[6,6a]C[6,6a]O[6])(C[6,6a]C[6a]O[6])(C[6]C[6]HH){1|H<1>,2|C<3>,4|C<4>}	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]CH)(H)2{2|C<3>,2|C<4>,2|O<2>}	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(O[6]C[6]){1|C<3>,2|H<1>,2|O<2>,3|C<4>}	121.2685	0.390	2	121.2685	0.152	2	120.4286	1.452	5	119.9187	1.940	217	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6,6a]O[6])(C[6,6a]C[6a]O[6])(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(O[6]C[6])	C[6,6a](C[6,6a]C[6,6a]O[6])(C[6,6a]C[6a]O[6])(C[6]C[6]HH){2|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(H)2{1|O<1>,2|C<3>,2|O<2>}	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(O[6]C[6]){1|C<3>,1|C<4>,1|O<1>,2|H<1>,2|O<2>}	119.8350	0.000	1	119.8350	0.000	1	120.4286	1.452	5	119.9187	1.940	217	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6,6a]O[6])(C[6,6a]C[6a]O[6])(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6,6a]O[6])(C[6,6a]C[6a]O[6])(C[6]C[6]HH){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|O<2>}	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	121.1710	0.000	1	121.1710	0.000	1	120.4286	1.452	5	119.9187	1.940	217	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6,6a]C[6,6a]O[6])(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]BrH)(H)2	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(O[6]C[6])	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6,6a]C[6,6a]O[6])(C[6]C[6]HH){1|Br<1>,1|H<1>,2|C<4>,3|C<3>}	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]BrH)(H)2{2|C<3>,2|C<4>,2|O<2>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(O[6]C[6]){1|O<2>,3|C<3>,3|C<4>,3|H<1>}	121.8980	0.000	1	121.8980	0.000	1	121.6540	0.119	2	119.9187	1.940	217	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6,6a]C[6,6a]O[6])(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(H)2	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(O[6]C[6])	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6,6a]C[6,6a]O[6])(C[6]C[6]HH){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|O<2>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(O[6]C[6]){1|O<2>,3|C<3>,3|C<4>,3|H<1>}	121.4100	0.000	1	121.4100	0.000	1	121.6540	0.119	2	119.9187	1.940	217	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:B[6]-4:H-1:H-1:	C[6,6]-3:C[6,6a]-3:N[6a]-2:	C[6,6a](C[6,6a]C[6,6]N[6a])(C[6a]C[6a]H)(C[6]B[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6,6]C[6a]2)(H)2	C[6,6a](C[6,6]N[6,6]C[6])(C[6,6a]C[6a]C[6])(N[6a]C[6a])	C[6,6a](C[6,6a]C[6,6]N[6a])(C[6a]C[6a]H)(C[6]B[6]HH){1|H<1>,1|N<3>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6,6]C[6a]2)(H)2{1|H<1>,1|N<2>,7|C<3>}	C[6,6a](C[6,6]N[6,6]C[6])(C[6,6a]C[6a]C[6])(N[6a]C[6a]){1|B<4>,3|C<3>,5|H<1>}	119.2390	0.000	1	119.2390	0.000	1	119.2390	0.000	1	119.9187	1.940	217	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:N[6,6]-3:N[6a]-2:	C[6,6a](C[6,6a]N[6,6]N[6a])(C[6a]C[6a,6a]C)(C[6]C[6,6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(N[6a]C[6a,6a])	C[6,6a](C[6,6a]N[6,6]N[6a])(C[6a]C[6a,6a]C)(C[6]C[6,6]HH){2|C<3>,4|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(H)2{1|C<4>,1|N<2>,1|N<3>,2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(N[6a]C[6a,6a]){2|C<4>,3|C<3>,6|H<1>}	120.3640	0.167	2	120.3640	0.028	2	120.3640	0.028	2	119.9187	1.940	217	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6,6a]-3:N[6a]-2:	C[6,6a](C[6,6a]C[5a,6]N[6a])(C[6a]C[5a]C[6a])(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)(H)2	C[6,6a](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]C[6])(N[6a]C[6a])	C[6,6a](C[6,6a]C[5a,6]N[6a])(C[6a]C[5a]C[6a])(C[6]C[6]HH){1|C<2>,1|N<3>,1|S<2>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)(H)2{1|N<2>,4|C<3>}	C[6,6a](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]C[6])(N[6a]C[6a]){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	119.2680	0.000	1	119.2680	0.000	1	119.1110	0.535	15	119.9187	1.940	217	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6,6a]-3:N[6a]-2:	C[6,6a](C[6,6a]C[5a,6]N[6a])(C[6a]C[6,6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)(H)2	C[6,6a](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]C[6])(N[6a]C[6,6a])	C[6,6a](C[6,6a]C[5a,6]N[6a])(C[6a]C[6,6a]H)(C[6]C[6]HH){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)(H)2{1|H<1>,1|N<2>,3|C<3>}	C[6,6a](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]C[6])(N[6a]C[6,6a]){1|C<4>,4|C<3>,4|H<1>}	120.2560	0.670	2	120.2560	0.449	2	119.1110	0.535	15	119.9187	1.940	217	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6,6a]-3:N[6a]-2:	C[6,6a](C[6,6a]C[5a,6]N[6a])(C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)(H)2	C[6,6a](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])	C[6,6a](C[6,6a]C[5a,6]N[6a])(C[6a]C[6a,6a]C[6a])(C[6]C[6]HH){1|N<3>,2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)(H)2{1|N<2>,4|C<3>}	C[6,6a](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]C[6])(N[6a]C[6a,6a]){1|C<4>,3|H<1>,5|C<3>}	118.1350	0.000	1	118.1350	0.000	1	119.1110	0.535	15	119.9187	1.940	217	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6,6a]-3:N[6a]-2:	C[6,6a](C[6,6a]C[5a,6]N[6a])(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)(H)2	C[6,6a](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]C[6])(N[6a]C[6a])	C[6,6a](C[6,6a]C[5a,6]N[6a])(C[6a]C[6a]2)(C[6]C[6]HH){1|C<2>,2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)(H)2{1|N<2>,1|N<3>,3|C<3>}	C[6,6a](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]C[6])(N[6a]C[6a]){1|C<4>,1|N<2>,2|C<3>,2|N<3>,3|H<1>}	118.6565	0.329	2	118.6565	0.108	2	119.1110	0.535	15	119.9187	1.940	217	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6,6a]-3:N[6a]-2:	C[6,6a](C[6,6a]C[5a,6]N[6a])(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)(H)2	C[6,6a](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]C[6])(N[6a]C[6a])	C[6,6a](C[6,6a]C[5a,6]N[6a])(C[6a]C[6a]2)(C[6]C[6]HH){1|C<2>,1|N<3>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)(H)2{1|N<2>,4|C<3>}	C[6,6a](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]C[6])(N[6a]C[6a]){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	118.8654	0.259	8	118.8654	0.067	8	119.1110	0.535	15	119.9187	1.940	217	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6,6a]-3:N[6a]-2:	C[6,6a](C[6,6a]C[5a,6]N[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)(H)2	C[6,6a](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]C[6])(N[6a]C[6a])	C[6,6a](C[6,6a]C[5a,6]N[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)(H)2{1|H<1>,1|N<2>,3|C<3>}	C[6,6a](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]C[6])(N[6a]C[6a]){1|C<4>,1|N<2>,2|C<3>,5|H<1>}	120.5140	0.000	1	120.5140	0.000	1	119.1110	0.535	15	119.9187	1.940	217	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:N[6a]-2:	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[5a,6a]C[6a])(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6a]C[5a,6a])	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[5a,6a]C[6a])(C[6]C[6]HH){2|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{1|N<2>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6a]C[5a,6a]){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	117.4722	0.358	6	117.4722	0.128	6	118.3218	0.619	42	119.9187	1.940	217	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:N[6a]-2:	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[5a,6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6a]C[5a,6a])	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[5a,6a]H)(C[6]C[6]HH){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{1|H<1>,1|N<2>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6a]C[5a,6a]){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	118.6540	0.000	1	118.6540	0.000	1	118.3218	0.619	42	119.9187	1.940	217	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:N[6a]-2:	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[6,6a]C)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6,6a])	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[6,6a]C)(C[6]C[6]HH){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{1|C<4>,1|N<2>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6,6a]){3|C<3>,3|C<4>,3|H<1>}	117.8835	0.500	2	117.8835	0.250	2	118.3218	0.619	42	119.9187	1.940	217	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:N[6a]-2:	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[6,6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6,6a])	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[6,6a]H)(C[6]C[6]HH){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{1|H<1>,1|N<2>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6,6a]){2|C<4>,3|C<3>,4|H<1>}	119.4490	0.144	2	119.4490	0.021	2	118.3218	0.619	42	119.9187	1.940	217	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:N[6a]-2:	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a,6a]C)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a,6a]C)(C[6]C[6]HH){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{1|C<4>,1|N<2>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a,6a]){2|C<4>,3|H<1>,4|C<3>}	117.4900	0.240	2	117.4900	0.058	2	118.3218	0.619	42	119.9187	1.940	217	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:N[6a]-2:	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a,6a]C)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a,6a]C)(C[6]C[6]HH){1|N<2>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{1|C<4>,1|N<2>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a,6a]){2|C<4>,2|H<1>,4|C<3>}	118.7140	0.000	1	118.7140	0.000	1	118.3218	0.619	42	119.9187	1.940	217	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:N[6a]-2:	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a,6a]C[6a])(C[6]C[6]HH){2|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{1|N<2>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a,6a]){1|C<4>,2|H<1>,6|C<3>}	117.8058	0.614	4	117.8058	0.377	4	118.3218	0.619	42	119.9187	1.940	217	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:N[6a]-2:	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a,6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a,6a]H)(C[6]C[6]HH){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{1|H<1>,1|N<2>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a,6a]){1|C<4>,3|H<1>,5|C<3>}	118.2057	0.616	7	118.5057	0.645	9	118.3218	0.619	42	119.9187	1.940	217	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:N[6a]-2:	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a,6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a,6a]H)(C[6]C[6]HH){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{1|H<1>,1|N<2>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a,6a]){1|C<4>,4|C<3>,4|H<1>}	119.7170	0.000	1	118.5057	0.645	9	118.3218	0.619	42	119.9187	1.940	217	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:N[6a]-2:	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a,6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a,6a]H)(C[6]C[6]HH){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{1|H<1>,2|C<3>,2|N<2>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a,6a]){1|C<4>,1|N<2>,3|C<3>,4|H<1>}	119.3940	0.000	1	118.5057	0.645	9	118.3218	0.619	42	119.9187	1.940	217	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:N[6a]-2:	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a,6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a,6a]H)(C[6]C[6]HH){1|N<2>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{1|H<1>,1|N<2>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a,6a]){1|C<4>,3|H<1>,4|C<3>}	119.0240	0.267	2	119.0240	0.071	2	118.3218	0.619	42	119.9187	1.940	217	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:N[6a]-2:	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a])	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a]2)(C[6]C[6]HH){1|C<2>,2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{1|N<2>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a]){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	118.6990	0.000	1	118.2065	0.186	6	118.3218	0.619	42	119.9187	1.940	217	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:N[6a]-2:	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a])	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a]2)(C[6]C[6]HH){3|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{1|N<2>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a]){1|C<4>,3|H<1>,5|C<3>}	118.4740	0.021	2	118.2065	0.186	6	118.3218	0.619	42	119.9187	1.940	217	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:N[6a]-2:	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a])	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a]2)(C[6]C[6]HH){3|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{1|N<2>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a]){1|C<4>,4|C<3>,4|H<1>}	117.5630	0.000	1	118.2065	0.186	6	118.3218	0.619	42	119.9187	1.940	217	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:N[6a]-2:	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a])	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a]2)(C[6]C[6]HH){3|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{2|N<2>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a]){1|C<4>,1|N<2>,1|O<2>,2|H<1>,4|C<3>}	118.0145	0.241	2	118.2065	0.186	6	118.3218	0.619	42	119.9187	1.940	217	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:N[6a]-2:	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a]N[6a])(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a])	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a]N[6a])(C[6]C[6]HH){2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{2|N<2>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a]){1|C<4>,1|N<2>,1|N<3>,3|C<3>,3|H<1>}	118.8340	0.000	1	118.8340	0.000	1	118.3218	0.619	42	119.9187	1.940	217	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:N[6a]-2:	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]N[5a,6a]C)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6a]C[5a,6a])	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]N[5a,6a]C)(C[6]C[6]HH){1|N<2>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{1|C<4>,1|N<2>,1|N<3>,2|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6a]C[5a,6a]){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	118.8810	0.510	3	118.8810	0.260	3	118.3218	0.619	42	119.9187	1.940	217	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:N[6a]-2:	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]N[6a]C)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a])	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]N[6a]C)(C[6]C[6]HH){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{1|C<4>,2|C<3>,2|N<2>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a]){1|N<2>,2|C<4>,3|C<3>,3|H<1>}	117.7670	0.000	1	117.7670	0.000	1	118.3218	0.619	42	119.9187	1.940	217	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:N[6a]-2:	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]N[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a])	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]N[6a]H)(C[6]C[6]HH){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{1|H<1>,2|C<3>,2|N<2>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a]){1|C<4>,1|N<2>,2|C<3>,5|H<1>}	119.6830	0.147	2	119.6830	0.022	2	118.3218	0.619	42	119.9187	1.940	217	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(O[6]C[6])	C[6,6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(O[6]C[6]){1|C<3>,1|O<1>,1|O<2>,2|C<4>,5|H<1>}	118.1700	0.000	1	118.1700	0.000	1	120.1782	0.898	8	119.9187	1.940	217	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(O[6]C[6])	C[6,6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)2{1|O<2>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(O[6]C[6]){1|C<4>,1|O<2>,2|C<3>,6|H<1>}	120.2170	0.148	2	120.2170	0.022	2	120.1782	0.898	8	119.9187	1.940	217	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(O[6]C[6])	C[6,6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(C[6]C[6]HH){1|H<1>,2|C<3>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2{2|C<3>,2|C<4>,2|O<2>}	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(O[6]C[6]){1|C<3>,2|O<2>,4|C<4>,4|H<1>}	120.3885	0.084	2	120.3885	0.007	2	120.1782	0.898	8	119.9187	1.940	217	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(O[6]C[6])	C[6,6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(C[6]C[6]HH){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|O<1>,2|C<3>,2|O<2>}	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(O[6]C[6]){1|C<3>,1|O<1>,2|C<4>,2|O<2>,4|H<1>}	119.7600	0.000	1	119.7600	0.000	1	120.1782	0.898	8	119.9187	1.940	217	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6,6])(C[6,6a]C[6a]C[6])(O[6]C[6])	C[6,6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(C[6]C[6]HH){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H)2{1|H<1>,2|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6,6])(C[6,6a]C[6a]C[6])(O[6]C[6]){2|C<4>,2|O<2>,3|C<3>,4|H<1>}	121.3600	0.000	1	121.3600	0.000	1	120.1782	0.898	8	119.9187	1.940	217	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(O[6]C[6])	C[6,6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(C[6]C[6]HH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H)2{2|C<3>,2|C<4>,2|O<2>}	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(O[6]C[6]){1|C<3>,1|O<1>,2|H<1>,2|O<2>,4|C<4>}	120.9250	0.000	1	120.9250	0.000	1	120.1782	0.898	8	119.9187	1.940	217	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:Br[6]-2:	C[6,6a](C[6,6a]Br[6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]Ga[4]Ga[6]Si)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(Br[6]Ga[6])	C[6,6a](C[6,6a]Br[6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|Si<4>,2|Ga<4>,1|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]Ga[4]Ga[6]Si)(H)2{1|Br<2>,2|Cl<2>,3|Cl<1>,1|H<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(Br[6]Ga[6]){2|Cl<1>,1|C<3>,1|C<4>,4|H<1>}	124.8030	0.000	1	124.8030	0.000	1	124.8030	0.000	1	119.9187	1.940	217	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<2>,1|C<4>,1|F<1>,1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)2{1|H<1>,1|N<2>,1|O<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	118.3810	0.000	1	118.3810	0.000	1	119.4310	2.205	2	119.9187	1.940	217	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HS)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|S<2>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HS)(H)2{1|N<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|C<4>,2|C<3>,5|H<1>}	120.4810	0.000	1	120.4810	0.000	1	119.4310	2.205	2	119.9187	1.940	217	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[5,6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[5,6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(O[6]C[6]){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	120.4875	0.349	4	120.4875	0.122	4	120.3360	0.846	99	119.9187	1.940	217	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[5,6a]O)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(O[6]C[6,6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[5,6a]O)(C[6]C[6]HH){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CH)(H)2{1|C<4>,2|C<3>,3|O<2>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(O[6]C[6,6]){1|C<3>,2|H<1>,2|O<2>,3|C<4>}	120.6655	0.396	6	120.6655	0.157	6	120.3360	0.846	99	119.9187	1.940	217	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a,6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a,6a]H)(C[6]C[6]HH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(O[6]C[6]){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	120.0477	0.029	3	120.0477	0.001	3	120.3360	0.846	99	119.9187	1.940	217	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]Br)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]Br)(C[6]C[6]HH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|Br<1>,1|O<1>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6]){1|Br<1>,1|C<3>,1|O<1>,2|C<4>,2|H<1>}	119.9930	0.000	1	119.9930	0.000	1	120.3360	0.846	99	119.9187	1.940	217	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]C)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]C)(C[6]C[6]HH){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,3|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6]){1|C<3>,1|N<3>,2|H<1>,4|C<4>}	119.9630	0.000	1	120.1301	0.603	11	120.3360	0.846	99	119.9187	1.940	217	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]C)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]C)(C[6]C[6]HH){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,3|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6]){1|C<3>,2|H<1>,5|C<4>}	120.2103	0.531	3	120.1301	0.603	11	120.3360	0.846	99	119.9187	1.940	217	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]C)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]C)(C[6]C[6]HH){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,3|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6]){1|C<3>,3|H<1>,4|C<4>}	119.8260	0.000	1	120.1301	0.603	11	120.3360	0.846	99	119.9187	1.940	217	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]C)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]C)(C[6]C[6]HH){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6]){2|C<3>,2|H<1>,4|C<4>}	120.7870	0.285	4	120.1301	0.603	11	120.3360	0.846	99	119.9187	1.940	217	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]C)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]C)(C[6]C[6]HH){1|C<3>,1|S<4>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,3|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6]){1|C<3>,2|H<1>,5|C<4>}	119.4210	0.000	1	120.1301	0.603	11	120.3360	0.846	99	119.9187	1.940	217	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]C)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]C)(C[6]C[6]HH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6]){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	118.4420	0.000	1	120.1301	0.603	11	120.3360	0.846	99	119.9187	1.940	217	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]Cl)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]Cl)(C[6]C[6]HH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|Cl<1>,1|O<1>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6]){1|Cl<1>,1|C<3>,1|O<1>,2|C<4>,2|H<1>}	118.8560	0.000	1	118.8560	0.000	1	120.3360	0.846	99	119.9187	1.940	217	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[3,6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[3,6]){1|C<3>,3|C<4>,4|H<1>}	119.9900	0.000	1	119.9900	0.000	1	120.3360	0.846	99	119.9187	1.940	217	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6]){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	119.5900	0.429	8	119.5900	0.184	8	120.3360	0.846	99	119.9187	1.940	217	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(O[6]C[5,6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(O[6]C[5,6]){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	119.4985	0.095	2	119.4985	0.009	2	120.3360	0.846	99	119.9187	1.940	217	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]S)(O[6]C[5,6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|S<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]S)(O[6]C[5,6]){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	120.0005	0.189	2	120.0005	0.036	2	120.3360	0.846	99	119.9187	1.940	217	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CH)(H)2{1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	119.8975	0.043	2	119.8975	0.002	2	120.3360	0.846	99	119.9187	1.940	217	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	120.9450	0.000	1	120.7050	0.115	2	120.3360	0.846	99	119.9187	1.940	217	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<3>,3|C<4>,4|H<1>}	120.4650	0.000	1	120.7050	0.115	2	120.3360	0.846	99	119.9187	1.940	217	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(O[6]C[6,6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(O[6]C[6,6]){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	119.7360	0.000	1	119.7360	0.000	1	120.3360	0.846	99	119.9187	1.940	217	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)2{1|O<2>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,6|H<1>}	121.1680	0.000	1	119.9370	3.031	2	120.3360	0.846	99	119.9187	1.940	217	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	118.7060	0.000	1	119.9370	3.031	2	120.3360	0.846	99	119.9187	1.940	217	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	117.8210	0.000	1	118.1185	0.177	2	120.3360	0.846	99	119.9187	1.940	217	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	118.4160	0.000	1	118.1185	0.177	2	120.3360	0.846	99	119.9187	1.940	217	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6]){1|C<3>,3|C<4>,4|H<1>}	120.8610	0.000	1	120.4252	0.867	5	120.3360	0.846	99	119.9187	1.940	217	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6]){1|C<3>,3|H<1>,4|C<4>}	120.8277	0.216	3	120.4252	0.867	5	120.3360	0.846	99	119.9187	1.940	217	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6]){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	118.7820	0.000	1	120.4252	0.867	5	120.3360	0.846	99	119.9187	1.940	217	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|F<1>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,2|C<4>,5|H<1>}	120.7778	0.625	6	120.4304	0.354	18	120.3360	0.846	99	119.9187	1.940	217	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|F<1>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|O<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,2|C<3>,5|H<1>}	120.8600	0.000	1	120.4304	0.354	18	120.3360	0.846	99	119.9187	1.940	217	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|I<2>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,6|H<1>}	120.6935	0.339	2	120.4304	0.354	18	120.3360	0.846	99	119.9187	1.940	217	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,3|C<4>,4|H<1>}	120.6040	0.000	1	120.4304	0.354	18	120.3360	0.846	99	119.9187	1.940	217	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,6|H<1>}	119.3110	0.000	1	120.4304	0.354	18	120.3360	0.846	99	119.9187	1.940	217	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	119.9680	0.000	1	120.4304	0.354	18	120.3360	0.846	99	119.9187	1.940	217	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,2|C<4>,5|H<1>}	119.5100	0.000	1	120.4304	0.354	18	120.3360	0.846	99	119.9187	1.940	217	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	120.4200	0.000	1	120.4304	0.354	18	120.3360	0.846	99	119.9187	1.940	217	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	120.4205	0.487	2	120.4304	0.354	18	120.3360	0.846	99	119.9187	1.940	217	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,3|C<4>,4|H<1>}	120.0895	0.286	2	120.4304	0.354	18	120.3360	0.846	99	119.9187	1.940	217	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HI)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|Cl<1>,1|C<3>,1|C<4>,1|I<1>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HI)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,3|C<4>,4|H<1>}	120.4580	0.000	1	120.4580	0.000	1	120.3360	0.846	99	119.9187	1.940	217	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(H)2{1|O<2>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,6|H<1>}	120.2210	0.000	1	121.1145	1.597	2	120.3360	0.846	99	119.9187	1.940	217	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(H)2{1|O<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,2|C<3>,5|H<1>}	122.0080	0.000	1	121.1145	1.597	2	120.3360	0.846	99	119.9187	1.940	217	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<2>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H)2{1|O<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,2|C<3>,5|H<1>}	120.6530	0.375	2	120.5120	0.082	5	120.3360	0.846	99	119.9187	1.940	217	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H)2{1|O<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	120.1330	0.000	1	120.5120	0.082	5	120.3360	0.846	99	119.9187	1.940	217	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){2|C<3>,2|C<4>,4|H<1>}	120.5400	0.000	1	120.5120	0.082	5	120.3360	0.846	99	119.9187	1.940	217	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	120.5810	0.000	1	120.5120	0.082	5	120.3360	0.846	99	119.9187	1.940	217	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HS)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|Br<1>,1|C<3>,1|C<4>,1|S<2>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HS)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,2|C<4>,5|H<1>}	119.6160	0.000	1	119.6160	0.000	1	120.3360	0.846	99	119.9187	1.940	217	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]SeH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|Se<2>,1|C<3>,1|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]SeH)(H)2{1|O<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,2|C<3>,5|H<1>}	120.2150	0.000	1	120.2150	0.000	1	120.3360	0.846	99	119.9187	1.940	217	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(H)2{1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	118.6370	0.000	1	118.6370	0.000	1	120.3360	0.846	99	119.9187	1.940	217	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)2{1|O<2>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|Cl<1>,1|C<3>,1|C<4>,5|H<1>}	120.5565	0.412	2	120.5565	0.170	2	120.3360	0.846	99	119.9187	1.940	217	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]N)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]N)(C[6]C[6]HH){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6]){1|C<3>,1|N<3>,3|C<4>,3|H<1>}	119.4770	0.000	1	118.7725	0.993	2	120.3360	0.846	99	119.9187	1.940	217	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]N)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]N)(C[6]C[6]HH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6]){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	118.0680	0.000	1	118.7725	0.993	2	120.3360	0.846	99	119.9187	1.940	217	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6,6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]HH){1|H<1>,2|C<3>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CH)(H)2{1|C<4>,2|C<3>,3|O<2>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6,6]){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	121.2225	0.316	2	121.2225	0.100	2	120.3360	0.846	99	119.9187	1.940	217	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]ClH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]HH){2|Cl<1>,1|C<3>,1|H<1>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]ClH)(H)2{2|C<3>,2|C<4>,2|O<2>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6]){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	121.4550	0.000	1	121.4550	0.000	1	120.3360	0.846	99	119.9187	1.940	217	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]HH){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|O<2>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6]){1|C<3>,2|H<1>,2|O<2>,3|C<4>}	122.0015	0.094	2	122.0015	0.009	2	120.3360	0.846	99	119.9187	1.940	217	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]HH){1|C<3>,1|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|O<2>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	120.9680	0.000	1	120.8055	0.053	2	120.3360	0.846	99	119.9187	1.940	217	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]HH){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|O<2>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,2|H<1>,2|O<2>,3|C<4>}	120.6430	0.000	1	120.8055	0.053	2	120.3360	0.846	99	119.9187	1.940	217	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]HH){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H)2{2|C<3>,2|C<4>,2|O<2>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6]){1|C<3>,2|H<1>,2|O<2>,3|C<4>}	121.7220	0.000	1	121.7220	0.000	1	120.3360	0.846	99	119.9187	1.940	217	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H)2{1|H<1>,2|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	122.2675	0.343	2	122.2675	0.118	2	120.3360	0.846	99	119.9187	1.940	217	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]O[6a]O)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]O[6a]O)(C[6]C[6]HH){1|C<3>,1|H<1>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2{1|C<3>,1|O<1>,2|C<4>,2|O<2>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6]){1|O<1>,1|O<2>,2|H<1>,4|C<4>}	122.0485	0.419	2	122.0485	0.176	2	120.3360	0.846	99	119.9187	1.940	217	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]O[6a]O)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]O[6a]O)(C[6]C[6]HH){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,1|O<1>,3|O<2>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|O<1>,2|H<1>,2|O<2>,3|C<4>}	122.0200	0.000	1	122.0200	0.000	1	120.3360	0.846	99	119.9187	1.940	217	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6])	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]HH){2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|H<1>,1|S<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6]){1|C<4>,2|C<3>,4|H<1>}	119.3380	1.007	2	119.3380	1.014	2	121.4772	6.443	4	119.9187	1.940	217	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6])	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(H)2{1|S<2>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6]){1|C<3>,1|C<4>,6|H<1>}	123.6165	0.094	2	123.6165	0.009	2	121.4772	6.443	4	119.9187	1.940	217	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:N[6a]-3:O[6]-2:	C[6,6a](C[6,6a]N[6a]O[6])(C[6a]N[6a]O)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]C)(O[6]C[6])	C[6,6a](C[6,6a]N[6a]O[6])(C[6a]N[6a]O)(C[6]C[6]HH){1|C<3>,1|H<1>,4|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2{1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|N<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]C)(O[6]C[6]){1|C<3>,1|C<4>,1|N<3>,2|O<1>,3|H<1>}	120.7620	0.000	1	120.7620	0.000	1	120.7620	0.000	1	119.9187	1.940	217	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6])	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6a]C[6a]2)(C[6]C[6]HH){2|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|O<2>,2|H<1>,3|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6]){1|C<4>,4|C<3>,5|H<1>}	119.3940	0.000	1	119.3940	0.000	1	121.2695	0.883	6	119.9187	1.940	217	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6a]C[6a]O)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrH)(H)2	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6])	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6a]C[6a]O)(C[6]C[6]HH){1|Br<1>,1|C<4>,1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrH)(H)2{2|C<3>,2|C<4>,2|O<2>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6]){1|O<2>,3|C<3>,3|C<4>,3|H<1>}	121.6370	0.000	1	121.6370	0.000	1	121.2695	0.883	6	119.9187	1.940	217	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6a]C[6a]O)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6])	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6a]C[6a]O)(C[6]C[6]HH){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|O<2>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6]){1|O<1>,2|C<3>,2|H<1>,2|O<2>,3|C<4>}	121.5430	0.000	1	121.5430	0.000	1	121.2695	0.883	6	119.9187	1.940	217	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6a]O[6a]O)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6])	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6a]O[6a]O)(C[6]C[6]HH){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2{1|C<3>,1|H<1>,1|O<1>,3|O<2>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6]){1|C<4>,1|O<1>,2|C<3>,2|O<2>,4|H<1>}	121.8360	0.184	2	121.8360	0.034	2	121.2695	0.883	6	119.9187	1.940	217	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6a]O[6a]O)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6])	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6a]O[6a]O)(C[6]C[6]HH){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,3|O<2>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6]){1|O<1>,2|C<3>,2|C<4>,2|O<2>,3|H<1>}	121.3710	0.000	1	121.3710	0.000	1	121.2695	0.883	6	119.9187	1.940	217	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:O-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]P[6]C)(H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|Br<1>,1|C<4>,1|H<1>,1|P<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]P[6]C)(H)(O){1|H<1>,1|O<1>,3|C<3>,3|O<2>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	118.4450	0.000	1	118.4450	0.000	1	118.4450	0.000	1	119.9187	1.940	217	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]B[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]B[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|B<4>,1|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]B[6]HH)(H)2{1|H<1>,1|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]B[6]){1|N<4>,3|C<3>,4|H<1>}	121.8007	0.602	3	121.8007	0.363	3	120.7455	3.251	13	119.9187	1.940	217	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]Ga[6,6]CH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]Ga[6,6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|Ga<4>,1|C<3>,1|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]Ga[6,6]CH)(H)2{1|H<1>,1|N<4>,2|C<3>,2|O<2>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]Ga[6,6]){1|C<3>,1|O<2>,2|N<4>,4|H<1>}	120.2305	0.500	2	120.1080	0.191	4	120.7455	3.251	13	119.9187	1.940	217	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]Ga[6,6]CH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]Ga[6,6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|Ga<5>,1|C<3>,1|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]Ga[6,6]CH)(H)2{1|H<1>,1|N<3>,1|N<4>,2|C<3>,2|O<2>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]Ga[6,6]){1|C<3>,1|N<3>,1|O<2>,2|N<4>,4|H<1>}	119.9855	0.514	2	120.1080	0.191	4	120.7455	3.251	13	119.9187	1.940	217	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]In[4,6]C[6]H)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]In[4,6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|In<5>,1|C<3>,1|H<1>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]In[4,6]C[6]H)(H)2{1|I<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>,2|O<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]In[4,6]){1|C<3>,1|I<1>,1|N<4>,2|O<3>,4|H<1>}	119.4800	0.000	1	119.4800	0.000	1	120.7455	3.251	13	119.9187	1.940	217	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]In[6]CC)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]In[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|In<4>,1|C<3>,4|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]In[6]CC)(H)2{2|Cl<1>,1|H<1>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]In[6]){2|Cl<1>,1|C<3>,1|N<4>,4|H<1>}	125.6900	0.000	1	125.6900	0.000	1	120.7455	3.251	13	119.9187	1.940	217	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]In[6]C[6]H)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]In[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|In<4>,1|C<3>,1|H<1>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]In[6]C[6]H)(H)2{1|O<2>,2|C<3>,2|H<1>,4|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]In[6]){1|C<3>,1|N<4>,2|C<4>,4|H<1>}	119.2840	0.000	1	119.6720	0.695	4	120.7455	3.251	13	119.9187	1.940	217	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]In[6]C[6]H)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]In[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|In<4>,1|C<3>,1|H<1>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]In[6]C[6]H)(H)2{2|Cl<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]In[6]){2|Cl<1>,1|C<3>,1|N<4>,4|H<1>}	120.0120	0.000	1	119.6720	0.695	4	120.7455	3.251	13	119.9187	1.940	217	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]In[6]C[6]H)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]In[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|In<4>,1|H<1>,2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]In[6]C[6]H)(H)2{1|Br<1>,1|C<4>,1|H<1>,1|O<2>,1|O<3>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]In[6]){1|Br<1>,1|C<3>,1|N<4>,1|O<3>,4|H<1>}	118.7430	0.000	1	119.6720	0.695	4	120.7455	3.251	13	119.9187	1.940	217	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]In[6]C[6]H)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]In[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|In<5>,1|H<1>,2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]In[6]C[6]H)(H)2{2|Br<1>,1|C<4>,1|H<1>,1|O<2>,1|O<3>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]In[6]){2|Br<1>,1|C<3>,1|N<4>,1|O<3>,4|H<1>}	120.6490	0.000	1	119.6720	0.695	4	120.7455	3.251	13	119.9187	1.940	217	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:2:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]HH)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6]HH)(H)2	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]C)(O[6]C[6,6])	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]HH){2|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6]HH)(H)2{1|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]C)(O[6]C[6,6]){1|C<4>,3|H<1>,4|C<3>}	119.8180	0.000	1	119.8180	0.000	1	119.8180	0.000	1	119.9187	1.940	217	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:2:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a,6a]O[6])(C[6]C[6]HH)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]C[6])(O[6]C[6])	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a,6a]O[6])(C[6]C[6]HH){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)(H)2{1|N<2>,1|O<2>,2|C<3>,2|C<4>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]C[6])(O[6]C[6]){1|N<2>,3|C<3>,3|C<4>,3|H<1>}	121.3300	0.000	1	121.3300	0.000	1	121.3300	0.000	1	119.9187	1.940	217	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6,6a]2)(C[6]C[6]HH)	C[6](C[6,6a]C[5,6a]C[6,6a])(C[6]C[6,6a]HH)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[5,6a]C[6])(C[6,6a]C[6,6a]2)	C[6,6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6,6a]2)(C[6]C[6]HH){1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[6](C[6,6a]C[5,6a]C[6,6a])(C[6]C[6,6a]HH)(H)2{5|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[5,6a]C[6])(C[6,6a]C[6,6a]2){2|C<4>,3|H<1>,6|C<3>}	119.5000	0.596	6	119.2246	0.338	14	119.2246	0.338	14	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6,6a]2)(C[6]C[6]HH)	C[6](C[6,6a]C[5,6a]C[6,6a])(C[6]C[6,6a]HH)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[5,6a]C[6])(C[6,6a]C[6,6a]2)	C[6,6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6,6a]2)(C[6]C[6]HH){1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[6](C[6,6a]C[5,6a]C[6,6a])(C[6]C[6,6a]HH)(H)2{5|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[5,6a]C[6])(C[6,6a]C[6,6a]2){2|H<1>,3|C<4>,6|C<3>}	118.5918	0.256	4	119.2246	0.338	14	119.2246	0.338	14	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6,6a]2)(C[6]C[6]HH)	C[6](C[6,6a]C[5,6a]C[6,6a])(C[6]C[6,6a]HH)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[5,6a]C[6])(C[6,6a]C[6,6a]2)	C[6,6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6,6a]2)(C[6]C[6]HH){1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C[6](C[6,6a]C[5,6a]C[6,6a])(C[6]C[6,6a]HH)(H)2{5|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[5,6a]C[6])(C[6,6a]C[6,6a]2){2|C<4>,3|H<1>,6|C<3>}	119.4442	0.243	4	119.2246	0.338	14	119.2246	0.338	14	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[5,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[5,6a]C[5,6a]C[5])(C[6]C[6]HH)	C[6](C[6,6a]C[5,6a]C[6,6a])(C[6]C[6,6a]HH)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[5,6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[5,6a]C[5,6a]C[5])(C[6]C[6]HH){2|C<4>,3|C<3>,5|H<1>}	C[6](C[6,6a]C[5,6a]C[6,6a])(C[6]C[6,6a]HH)(H)2{1|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[5,6a]C[6])(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	120.2385	0.624	2	120.2385	0.390	2	120.2385	0.390	2	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6,6a]C[6,6a]2)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]2)(C[6]C[6,6]HH)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6]C[6,6]C[6])(C[6a]C[5a]N[6a])	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6,6a]C[6,6a]2)(C[6]C[6]HH){1|C<4>,1|N<2>,2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]2)(C[6]C[6,6]HH)(H)2{5|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6]C[6,6]C[6])(C[6a]C[5a]N[6a]){1|C<4>,1|S<2>,3|H<1>,5|C<3>}	116.9190	0.000	1	116.9190	0.000	1	116.9190	0.000	1	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]2)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]2)(C[6]C[6,6a]HH)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]C[6])(C[6a]C[5a]N[6a])	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]2)(C[6]C[6]HH){1|C<4>,1|N<2>,2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]2)(C[6]C[6,6a]HH)(H)2{5|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]C[6])(C[6a]C[5a]N[6a]){1|C<4>,3|H<1>,6|C<3>}	117.4990	0.000	1	117.4990	0.000	1	117.2102	0.197	5	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]2)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]2)(C[6]C[6,6a]HH)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N[6a])	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]2)(C[6]C[6]HH){1|C<4>,1|N<2>,2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]2)(C[6]C[6,6a]HH)(H)2{5|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N[6a]){1|C<4>,3|H<1>,6|C<3>}	117.0007	0.478	3	117.0007	0.229	3	117.2102	0.197	5	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]2)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]2)(C[6]C[6,6a]HH)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]C[6])(C[6a]N[6a]C[5])	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]2)(C[6]C[6]HH){1|C<4>,1|N<2>,2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]2)(C[6]C[6,6a]HH)(H)2{5|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]C[6])(C[6a]N[6a]C[5]){1|C<4>,3|H<1>,6|C<3>}	117.5500	0.000	1	117.5500	0.000	1	117.2102	0.197	5	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(C[6]C[6]HH){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(H)2{1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<4>,2|C<3>,4|H<1>}	117.6790	0.000	1	117.6790	0.000	1	118.2630	2.248	8	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HO)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(C[6]C[6]HH){1|C<3>,1|O<1>,2|C<4>,3|H<1>,3|O<2>}	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HO)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O){1|C<3>,2|C<4>,5|H<1>}	119.6130	0.249	4	119.6130	0.062	4	118.2630	2.248	8	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]2)(C[6]O[6]CH)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(C[6]O[6]O)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(C[6]C[6]HH){1|C<3>,1|C<4>,1|H<1>,2|O<1>,4|O<2>}	C[6](C[6,6a]C[6,6a]2)(C[6]O[6]CH)(H)2{4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(C[6]O[6]O){1|C<4>,2|C<3>,3|H<1>}	116.6500	0.430	2	116.6577	0.093	3	118.2630	2.248	8	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]2)(C[6]O[6]CH)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(C[6]O[6]O)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(C[6]C[6]HH){1|C<3>,1|O<1>,2|C<4>,3|H<1>,3|O<2>}	C[6](C[6,6a]C[6,6a]2)(C[6]O[6]CH)(H)2{1|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(C[6]O[6]O){1|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	116.6730	0.000	1	116.6577	0.093	3	118.2630	2.248	8	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6,6a]O[6])(C[6,6a]C[6a]N[6])(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6,6a]O[6])(C[6,6a]C[6a]N[6])(C[6]C[6]HH){2|C<3>,2|H<1>,4|C<4>}	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(N[6]C[6]C){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	123.1990	0.000	1	122.0173	1.053	3	122.0173	1.053	3	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6,6a]O[6])(C[6,6a]C[6a]N[6])(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6,6a]O[6])(C[6,6a]C[6a]N[6])(C[6]C[6]HH){2|H<1>,3|C<3>,3|C<4>}	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(N[6]C[6]C){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	121.4265	0.105	2	122.0173	1.053	3	122.0173	1.053	3	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:B[6]-4:H-1:H-1:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]B[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(B[6]N[5,6]C[6a]2)(H)2	C[6,6a](C[5,6]N[5,6]N[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]B[6]HH){2|H<1>,2|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(B[6]N[5,6]C[6a]2)(H)2{1|H<1>,1|N<2>,7|C<3>}	C[6,6a](C[5,6]N[5,6]N[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|B<4>,1|C<4>,1|N<2>,2|C<3>,4|H<1>}	118.9080	0.000	1	118.9080	0.000	1	118.8100	0.019	2	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:B[6]-4:H-1:H-1:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]B[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(B[6]N[5,6]C[6a]2)(H)2	C[6,6a](C[5,6]N[5,6]S[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]B[6]HH){1|N<3>,1|S<2>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(B[6]N[5,6]C[6a]2)(H)2{1|H<1>,8|C<3>}	C[6,6a](C[5,6]N[5,6]S[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|B<4>,3|C<3>,4|H<1>}	118.7120	0.000	1	118.7120	0.000	1	118.8100	0.019	2	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:B[6]-4:H-1:H-1:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]B[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6,6]C[6a]2)(H)2	C[6,6a](C[6,6]N[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]B[6]HH){1|N<3>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6,6]C[6a]2)(H)2{1|H<1>,8|C<3>}	C[6,6a](C[6,6]N[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|B<4>,3|C<3>,5|H<1>}	118.2733	0.772	3	118.2733	0.596	3	118.2733	0.596	3	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]H)(C[6]C[5,6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]O[5]C)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]O)(C[6]N[5,6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]H)(C[6]C[5,6]HH){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]O[5]C)(H)2{1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]O)(C[6]N[5,6]O){2|C<3>,2|C<4>,3|H<1>}	118.2080	0.000	1	118.2080	0.000	1	118.2080	0.000	1	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6,6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6,6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6,6]HH){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2{2|H<1>,2|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6,6]O){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	117.5660	0.000	1	117.5660	0.000	1	117.5660	0.000	1	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:F-1:F-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]FF)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HO)(F)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]FF){1|C<3>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HO)(F)2{2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,1|C<4>,2|F<1>,3|H<1>}	117.8090	0.075	2	117.8090	0.006	2	117.8090	0.006	2	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:F-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]FH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(F)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]FH){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(F)(H){1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]O){1|C<3>,1|C<4>,1|F<1>,3|H<1>}	118.2640	0.483	3	118.2640	0.234	3	118.2640	0.234	3	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a,6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]SiH)(H)2	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]O)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a,6a]H)(C[6]C[6]HH){1|Si<4>,1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]SiH)(H)2{1|H<1>,4|C<3>}	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]O){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	118.9230	0.000	1	118.9230	0.000	1	119.9192	1.419	29	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	C[6,6a](C[5,6]C[3x5,6]C[5,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{1|H<1>,4|C<3>}	C[6,6a](C[5,6]C[3x5,6]C[5,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<4>,4|C<3>,4|H<1>}	118.7680	0.000	1	118.7680	0.000	1	119.9192	1.419	29	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	C[6,6a](C[5,6]C[5,5]C[5,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[5,6]C[5,5]C[5,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,3|C<4>,5|H<1>}	121.9400	0.000	1	121.9400	0.000	1	119.9192	1.419	29	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,3|C<4>,6|H<1>}	120.7280	0.151	2	119.8492	0.856	5	119.9192	1.419	29	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{1|H<1>,4|C<3>}	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<2>,1|C<4>,4|C<3>,4|H<1>}	118.8020	0.000	1	119.8492	0.856	5	119.9192	1.419	29	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{1|H<1>,4|C<3>}	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<2>,2|C<3>,2|C<4>,4|H<1>}	119.4940	0.711	2	119.8492	0.856	5	119.9192	1.419	29	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	C[6,6a](C[5,6]C[5,6]N[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<2>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6,6a](C[5,6]C[5,6]N[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	121.2750	0.095	2	120.9707	1.075	8	119.9192	1.419	29	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	C[6,6a](C[5,6]C[5,6]N[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<2>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[5,6]C[5,6]N[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	121.5940	0.189	3	120.9707	1.075	8	119.9192	1.419	29	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	C[6,6a](C[5,6]C[5,6]N[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[5,6]C[5,6]N[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|O<1>,3|C<4>,5|H<1>}	121.6650	0.000	1	120.9707	1.075	8	119.9192	1.419	29	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	C[6,6a](C[5,6]C[5,6]N[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[5,6]C[5,6]N[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|S<4>,3|C<4>,4|H<1>}	118.8450	0.000	1	120.9707	1.075	8	119.9192	1.419	29	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	C[6,6a](C[5,6]C[5,6]N[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{1|H<1>,4|C<3>}	C[6,6a](C[5,6]C[5,6]N[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,5|H<1>}	119.9240	0.000	1	120.9707	1.075	8	119.9192	1.419	29	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	C[6,6a](C[5,6]C[5,6]S[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|S<2>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{1|H<1>,1|S<2>,3|C<3>}	C[6,6a](C[5,6]C[5,6]S[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|S<2>,2|C<3>,4|H<1>}	119.1400	0.000	1	119.1400	0.000	1	119.9192	1.419	29	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	C[6,6a](C[5,6]C[5,6a]C[5,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{1|H<1>,4|C<3>}	C[6,6a](C[5,6]C[5,6a]C[5,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	120.4950	0.000	1	120.4950	0.000	1	119.9192	1.419	29	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]CH)(H)2	C[6,6a](C[5,6]C[5,6]N[5,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]CH)(H)2{1|H<1>,4|C<3>}	C[6,6a](C[5,6]C[5,6]N[5,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	119.0230	0.574	2	119.0230	0.330	2	119.9192	1.419	29	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]CH)(H)2	C[6,6a](C[5,6]N[5,6]N[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<2>,1|N<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]CH)(H)2{1|H<1>,4|C<3>}	C[6,6a](C[5,6]N[5,6]N[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	120.5330	0.000	1	120.5330	0.000	1	119.9192	1.419	29	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]C[6a]H)(H)2	C[6,6a](C[5,6]C[5,6]N[5,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]C[6a]H)(H)2{1|H<1>,6|C<3>}	C[6,6a](C[5,6]C[5,6]N[5,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	118.9485	0.179	4	118.9485	0.032	4	119.9192	1.419	29	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2	C[6,6a](C[5,6]C[3x5,6]N[5,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[5,6]C[3x5,6]N[5,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	117.4140	0.000	1	117.4140	0.000	1	119.9192	1.419	29	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2	C[6,6a](C[5,6]N[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2{1|H<1>,4|C<3>}	C[6,6a](C[5,6]N[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	119.7190	0.000	1	119.8637	0.049	3	119.9192	1.419	29	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2	C[6,6a](C[5,6]N[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2{1|H<1>,4|C<3>}	C[6,6a](C[5,6]N[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	120.1190	0.000	1	119.8637	0.049	3	119.9192	1.419	29	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2	C[6,6a](C[5,6]N[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2{1|H<1>,4|C<3>}	C[6,6a](C[5,6]N[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<2>,1|N<3>,2|C<3>,4|H<1>}	119.7530	0.000	1	119.8637	0.049	3	119.9192	1.419	29	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[5,6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]HH)(H)2	C[6,6a](C[5a,6]N[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]O)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[5,6a]H)(C[6]C[6]HH){1|N<3>,2|C<3>,2|H<1>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]HH)(H)2{1|H<1>,4|C<3>}	C[6,6a](C[5a,6]N[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]O){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	118.4690	0.000	1	118.4690	0.000	1	119.3629	0.617	43	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)(H)2	C[6,6a](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]C)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH){1|C<2>,2|H<1>,2|N<3>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)(H)2{5|C<3>}	C[6,6a](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]C){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	118.3640	0.000	1	118.3640	0.000	1	119.3629	0.617	43	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)(H)2	C[6,6a](C[5a,6]C[5,5a]C[5a,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)(H)2{1|H<1>,4|C<3>}	C[6,6a](C[5a,6]C[5,5a]C[5a,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	119.7550	0.000	1	119.7550	0.000	1	119.3629	0.617	43	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)(H)2	C[6,6a](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)(H)2{1|H<1>,4|C<3>}	C[6,6a](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	120.1800	0.000	1	120.1800	0.000	1	119.3629	0.617	43	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)(H)2	C[6,6a](C[5a,6]C[5a,6]N[5a,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)(H)2{1|H<1>,4|C<3>}	C[6,6a](C[5a,6]C[5a,6]N[5a,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|B<4>,1|C<4>,3|C<3>,4|H<1>}	121.0285	0.168	2	120.5297	0.761	3	119.3629	0.617	43	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)(H)2	C[6,6a](C[5a,6]C[5a,6]N[5a,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)(H)2{1|H<1>,4|C<3>}	C[6,6a](C[5a,6]C[5a,6]N[5a,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	119.5320	0.000	1	120.5297	0.761	3	119.3629	0.617	43	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)(H)2	C[6,6a](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<2>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)(H)2{1|H<1>,1|S<2>,3|C<3>}	C[6,6a](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|S<2>,2|C<3>,4|H<1>}	119.0880	0.151	2	119.9137	0.560	7	119.3629	0.617	43	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)(H)2	C[6,6a](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)(H)2{1|H<1>,4|C<3>}	C[6,6a](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,5|H<1>}	120.1900	0.501	2	119.9137	0.560	7	119.3629	0.617	43	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)(H)2	C[6,6a](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)(H)2{1|H<1>,4|C<3>}	C[6,6a](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<2>,3|C<3>,4|H<1>}	120.3940	0.000	1	119.9137	0.560	7	119.3629	0.617	43	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)(H)2	C[6,6a](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)(H)2{1|H<1>,4|C<3>}	C[6,6a](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,5|H<1>}	120.2230	1.071	2	119.9137	0.560	7	119.3629	0.617	43	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)(H)2	C[6,6a](C[5a,6]C[5a,6]S[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|S<2>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)(H)2{1|H<1>,4|C<3>}	C[6,6a](C[5a,6]C[5a,6]S[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]2){1|C<4>,4|H<1>,5|C<3>}	119.7355	0.197	4	119.7355	0.039	4	119.3629	0.617	43	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]HH)(H)2	C[6,6a](C[5a,6]C[5,5a]N[5a,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]HH)(H)2{1|H<1>,4|C<3>}	C[6,6a](C[5a,6]C[5,5a]N[5a,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	118.5450	0.000	1	118.5450	0.000	1	119.3629	0.617	43	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]HH)(H)2	C[6,6a](C[5a,6]N[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]HH)(H)2{1|H<1>,4|C<3>}	C[6,6a](C[5a,6]N[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,1|S<4>,3|C<3>,3|H<1>}	119.2360	0.000	1	118.8331	0.220	19	119.3629	0.617	43	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]HH)(H)2	C[6,6a](C[5a,6]N[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]HH)(H)2{1|H<1>,4|C<3>}	C[6,6a](C[5a,6]N[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	118.9100	0.000	1	118.8331	0.220	19	119.3629	0.617	43	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]HH)(H)2	C[6,6a](C[5a,6]N[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]HH)(H)2{1|H<1>,4|C<3>}	C[6,6a](C[5a,6]N[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	119.4225	0.340	2	118.8331	0.220	19	119.3629	0.617	43	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]HH)(H)2	C[6,6a](C[5a,6]N[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]HH)(H)2{1|H<1>,4|C<3>}	C[6,6a](C[5a,6]N[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|S<4>,3|C<3>,4|H<1>}	118.6080	0.000	1	118.8331	0.220	19	119.3629	0.617	43	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]HH)(H)2	C[6,6a](C[5a,6]N[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]HH)(H)2{1|H<1>,1|N<2>,3|C<3>}	C[6,6a](C[5a,6]N[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<2>,3|C<3>,4|H<1>}	118.8010	0.000	1	118.8331	0.220	19	119.3629	0.617	43	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]HH)(H)2	C[6,6a](C[5a,6]N[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]HH)(H)2{1|H<1>,4|C<3>}	C[6,6a](C[5a,6]N[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<2>,1|N<3>,2|C<3>,4|H<1>}	119.4920	0.000	1	118.8331	0.220	19	119.3629	0.617	43	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]HH)(H)2	C[6,6a](C[5a,6]N[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]HH)(H)2{1|H<1>,4|C<3>}	C[6,6a](C[5a,6]N[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,5|H<1>}	118.3243	0.600	3	118.8331	0.220	19	119.3629	0.617	43	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]HH)(H)2	C[6,6a](C[5a,6]N[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]HH)(H)2{1|H<1>,4|C<3>}	C[6,6a](C[5a,6]N[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	118.7140	0.377	7	118.8331	0.220	19	119.3629	0.617	43	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]HH)(H)2	C[6,6a](C[5a,6]N[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]HH)(H)2{1|H<1>,4|C<3>}	C[6,6a](C[5a,6]N[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	118.9830	0.051	2	118.8331	0.220	19	119.3629	0.617	43	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]HH)(H)2	C[6,6a](C[5a,6]N[5a,6]N[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|N<2>,1|N<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]HH)(H)2{1|H<1>,4|C<3>}	C[6,6a](C[5a,6]N[5a,6]N[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	119.8717	0.140	4	119.8717	0.020	4	119.3629	0.617	43	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)(H)2	C[6,6a](C[5a,6]C[5a,6a]C[5a,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]HH){3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)(H)2{1|N<3>,1|O<2>,3|C<3>}	C[6,6a](C[5a,6]C[5a,6a]C[5a,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,2|O<2>,3|C<3>}	120.0500	0.000	1	120.0500	0.000	1	119.3629	0.617	43	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[5a,6a]N[6])(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[5a,6a]C[5a,6a]2)(C[6,6a]C[6a]C[6])(N[6]C[6]H)	C[6,6a](C[6,6a]C[5a,6a]N[6])(C[6a]C[6a]2)(C[6]C[6]HH){1|C<4>,4|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|N<3>,2|H<1>,3|C<3>}	C[6,6a](C[5a,6a]C[5a,6a]2)(C[6,6a]C[6a]C[6])(N[6]C[6]H){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	118.6900	0.000	1	118.6900	0.000	1	118.3050	0.296	2	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[5a,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[5a,6a]C[5a,6a]C[5a])(C[6,6a]C[6a]C[6])(N[6]C[6a]C[6])	C[6,6a](C[6,6a]C[5a,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH){3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6,6a](C[5a,6a]C[5a,6a]C[5a])(C[6,6a]C[6a]C[6])(N[6]C[6a]C[6]){1|C<4>,1|O<1>,1|O<2>,4|C<3>,4|H<1>}	117.9200	0.000	1	117.9200	0.000	1	118.3050	0.296	2	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6,6a]C[6,6a]2)	C[6,6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(C[6]C[6]HH){3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|H<1>,4|C<3>}	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6,6a]C[6,6a]2){1|O<1>,2|C<4>,3|H<1>,5|C<3>}	118.1920	0.000	1	118.1920	0.000	1	117.9408	0.171	5	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6,6a](C[6,6]C[6,6a]C[6,6])(C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])	C[6,6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(C[6]C[6]HH){3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6]C[6,6a]C[6,6])(C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6]){1|O<1>,2|C<4>,3|H<1>,5|C<3>}	117.8780	0.449	4	117.8780	0.202	4	117.9408	0.171	5	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5,6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2	C[6,6a](C[6,6]N[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5,6a]H)(C[6]C[6]HH){1|N<3>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6]N[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	118.4940	0.000	1	118.4683	0.261	10	119.6663	2.367	90	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5,6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2	C[6,6a](C[6,6]N[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5,6a]H)(C[6]C[6]HH){1|N<3>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2{1|H<1>,4|C<3>}	C[6,6a](C[6,6]N[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	118.4654	0.542	9	118.4683	0.261	10	119.6663	2.367	90	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6,6]HH)(H)2	C[6,6a](C[6,6]C[5,6,6]N[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<2>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6,6]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	C[6,6a](C[6,6]C[5,6,6]N[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|N<3>,3|C<4>,4|H<1>}	120.1240	0.000	1	120.1240	0.000	1	119.6663	2.367	90	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CC)(H)2	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,2|O<2>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CC)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|C<3>,3|C<4>,6|H<1>}	117.9350	0.000	1	117.9350	0.000	1	119.6663	2.367	90	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,3|C<4>,6|H<1>}	117.8680	0.172	3	120.3563	2.418	47	119.6663	2.367	90	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|S<3>,3|C<4>,5|H<1>}	119.1620	0.000	1	120.3563	2.418	47	119.6663	2.367	90	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,3|C<4>,6|H<1>}	120.9900	1.307	12	120.3563	2.418	47	119.6663	2.367	90	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|F<1>,1|O<2>,2|C<4>,5|H<1>}	119.1780	0.000	1	120.3563	2.418	47	119.6663	2.367	90	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<4>,3|C<3>,5|H<1>}	121.3120	0.000	1	120.3563	2.418	47	119.6663	2.367	90	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<2>,2|C<3>,2|C<4>,5|H<1>}	121.9319	0.366	9	120.3563	2.418	47	119.6663	2.367	90	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,3|C<4>,6|H<1>}	121.4313	0.344	3	120.3563	2.418	47	119.6663	2.367	90	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,6|H<1>}	120.5247	0.967	3	120.3563	2.418	47	119.6663	2.367	90	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|H<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,2|O<2>,3|C<3>,4|H<1>}	119.2728	0.315	4	120.3563	2.418	47	119.6663	2.367	90	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|H<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	118.8150	0.000	1	120.3563	2.418	47	119.6663	2.367	90	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|N<3>,2|H<1>,3|C<3>}	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,6|H<1>}	121.5350	0.000	1	120.3563	2.418	47	119.6663	2.367	90	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|O<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,6|H<1>}	121.6420	0.000	1	120.3563	2.418	47	119.6663	2.367	90	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|O<2>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	118.1630	0.000	1	120.3563	2.418	47	119.6663	2.367	90	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|O<2>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	118.6670	0.000	1	120.3563	2.418	47	119.6663	2.367	90	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<2>,2|C<3>,2|C<4>,4|H<1>}	118.3687	0.518	3	120.3563	2.418	47	119.6663	2.367	90	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|H<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	118.5650	0.000	1	120.3563	2.418	47	119.6663	2.367	90	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|H<1>,4|C<3>}	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,5|H<1>}	118.7700	0.000	1	120.3563	2.418	47	119.6663	2.367	90	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6,6a](C[6,6]C[6,6]N[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<2>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6]C[6,6]N[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	120.5888	0.156	4	119.7904	0.647	10	119.6663	2.367	90	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6,6a](C[6,6]C[6,6]N[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<2>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6]C[6,6]N[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	119.2485	0.828	2	119.7904	0.647	10	119.6663	2.367	90	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6,6a](C[6,6]C[6,6]N[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6]C[6,6]N[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	119.4570	0.425	3	119.7904	0.647	10	119.6663	2.367	90	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6,6a](C[6,6]C[6,6]N[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6]C[6,6]N[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,3|C<4>,4|H<1>}	118.6810	0.000	1	119.7904	0.647	10	119.6663	2.367	90	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6,6a](C[6,6]C[6,6]N[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]Ni)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|Ni<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|H<1>,4|C<3>}	C[6,6a](C[6,6]C[6,6]N[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]Ni){1|C<4>,3|H<1>,4|C<3>}	117.1830	0.089	2	117.1830	0.008	2	119.6663	2.367	90	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6,6a](C[6,6]C[6,6]O[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|H<1>,4|C<3>}	C[6,6a](C[6,6]C[6,6]O[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	119.0080	0.000	1	118.6927	0.215	6	119.6663	2.367	90	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6,6a](C[6,6]C[6,6]O[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|O<2>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6]C[6,6]O[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	118.3130	0.000	1	118.6927	0.215	6	119.6663	2.367	90	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6,6a](C[6,6]C[6,6]O[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|O<2>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6]C[6,6]O[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	118.2930	0.000	1	118.6927	0.215	6	119.6663	2.367	90	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6,6a](C[6,6]C[6,6]O[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|O<2>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|H<1>,4|C<3>}	C[6,6a](C[6,6]C[6,6]O[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	119.3550	0.000	1	118.6927	0.215	6	119.6663	2.367	90	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6,6a](C[6,6]C[6,6]O[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){2|C<3>,2|O<2>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|H<1>,4|C<3>}	C[6,6a](C[6,6]C[6,6]O[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	118.5935	0.465	2	118.6927	0.215	6	119.6663	2.367	90	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6,6a](C[6,6]C[6,6a]C[6,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6]C[6,6a]C[6,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]2){1|O<2>,2|C<4>,3|H<1>,5|C<3>}	118.1175	0.470	2	118.1175	0.221	2	119.6663	2.367	90	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2	C[6,6a](C[6,6]N[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2{1|H<1>,4|C<3>}	C[6,6a](C[6,6]N[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]2){1|C<4>,5|C<3>,5|H<1>}	118.1540	0.000	1	118.1540	0.000	1	119.6663	2.367	90	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2	C[6,6a](C[6,6]N[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2{1|H<1>,4|C<3>}	C[6,6a](C[6,6]N[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<2>,1|C<4>,1|O<2>,3|C<3>,3|H<1>}	116.6620	0.000	1	116.6620	0.000	1	119.6663	2.367	90	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2	C[6,6a](C[6,6]N[6,6]N[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|N<2>,1|N<3>,1|O<2>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6]N[6,6]N[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	118.5700	0.000	1	119.1814	0.295	5	119.6663	2.367	90	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2	C[6,6a](C[6,6]N[6,6]N[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|N<2>,1|N<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6]N[6,6]N[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	119.4820	0.198	2	119.1814	0.295	5	119.6663	2.367	90	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2	C[6,6a](C[6,6]N[6,6]N[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|N<2>,1|N<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2{1|H<1>,1|N<2>,3|C<3>}	C[6,6a](C[6,6]N[6,6]N[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|N<2>,2|C<4>,4|H<1>}	118.6460	0.000	1	119.1814	0.295	5	119.6663	2.367	90	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2	C[6,6a](C[6,6]N[6,6]N[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|N<2>,1|N<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2{1|H<1>,1|S<4>,3|C<3>}	C[6,6a](C[6,6]N[6,6]N[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|S<4>,2|C<3>,4|H<1>}	119.7270	0.000	1	119.1814	0.295	5	119.6663	2.367	90	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|O<2>,4|C<3>}	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	120.4210	0.000	1	120.4210	0.000	1	119.6663	2.367	90	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]HH){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|C<4>,1|O<2>,4|C<3>}	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	122.4380	0.000	1	122.4380	0.000	1	119.6663	2.367	90	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6,6a](C[6,6]C[6,6a]C[6,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]HH){3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|C<4>,1|O<2>,3|C<3>}	C[6,6a](C[6,6]C[6,6a]C[6,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]2){1|O<2>,2|C<4>,3|H<1>,5|C<3>}	117.6860	0.000	1	117.6860	0.000	1	119.6663	2.367	90	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6,6a](C[6,6]C[6,6a]C[6,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]C[5])	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]HH){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|C<4>,1|O<2>,3|C<3>}	C[6,6a](C[6,6]C[6,6a]C[6,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]C[5]){1|Fe<10>,1|O<2>,3|C<3>,3|H<1>,4|C<4>}	118.5500	0.000	1	118.5500	0.000	1	119.6663	2.367	90	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[5,6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[5,6]C[5,6]2)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[5,6]C[5,6]2)(C[6a]C[6a]H){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	121.9630	0.000	1	121.9630	0.000	1	121.9630	0.000	1	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-3:C[6,6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]C)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6,6])(C[6,6]C[6,6a]N[6,6])(C[6,6a]C[6a]C[6])	C[6,6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]C)(C[6]C[6]HH){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2{1|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6,6])(C[6,6]C[6,6a]N[6,6])(C[6,6a]C[6a]C[6]){1|N<3>,2|H<1>,3|C<4>,5|C<3>}	116.0414	0.690	31	116.0414	0.476	31	116.5804	1.006	48	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-3:C[6,6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]C)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6,6])(C[6,6]N[6,6]C[6])(C[6,6a]C[6a]C[6])	C[6,6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]C)(C[6]C[6]HH){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2{1|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6,6])(C[6,6]N[6,6]C[6])(C[6,6a]C[6a]C[6]){1|N<3>,3|C<4>,3|H<1>,4|C<3>}	117.2704	0.469	13	117.2704	0.220	13	116.5804	1.006	48	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-3:C[6,6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6,6])(C[6,6]N[6,6]C[6])(C[6,6a]C[6a]C[6])	C[6,6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2{1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6,6])(C[6,6]N[6,6]C[6])(C[6,6a]C[6a]C[6]){1|N<3>,2|C<4>,4|C<3>,4|H<1>}	118.5147	0.251	4	118.5147	0.063	4	116.5804	1.006	48	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6,6]C[6,6]2)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6,6]C[6,6]2)(C[6a]C[6a]H){2|C<3>,4|C<4>,4|H<1>}	118.7470	0.000	1	118.7470	0.000	1	118.7470	0.000	1	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]C)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6,6a]C[6,6a]2)	C[6,6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]C)(C[6]C[6]HH){1|C<2>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{1|C<2>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6,6a]C[6,6a]2){1|C<2>,2|C<4>,3|H<1>,5|C<3>}	118.6710	0.000	1	117.9610	0.613	3	117.7163	0.703	6	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]C)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6,6a]C[6,6a]2)	C[6,6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]C)(C[6]C[6]HH){2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{5|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6,6a]C[6,6a]2){2|C<4>,2|H<1>,7|C<3>}	117.6060	0.686	2	117.9610	0.613	3	117.7163	0.703	6	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	C[6,6a](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6,6])(C[6,6a]C[6a]C[6])	C[6,6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]H)(C[6]C[6]HH){3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6,6])(C[6,6a]C[6a]C[6]){2|C<4>,3|H<1>,6|C<3>}	117.9670	0.000	1	117.9670	0.000	1	117.7163	0.703	6	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	C[6,6a](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6a]C[6])(C[6,6a]C[6,6a]2)	C[6,6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]H)(C[6]C[6]HH){3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6a]C[6])(C[6,6a]C[6,6a]2){2|C<4>,3|H<1>,6|C<3>}	116.3400	0.000	1	116.3400	0.000	1	117.7163	0.703	6	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]N[6a])(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])	C[6,6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]N[6a])(C[6]C[6]HH){1|C<4>,2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{1|N<2>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6]){1|N<2>,2|C<4>,4|C<3>,5|H<1>}	118.1080	0.000	1	118.1080	0.000	1	117.7163	0.703	6	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|O<1>,1|O<2>,4|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)2{3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(C[6]C[6]O){1|C<3>,4|C<4>,6|H<1>}	122.1443	1.665	3	122.1443	2.771	3	121.1360	3.868	6	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2	C[6,6a](C[6,6a]C[6,6a]C[5,6])(C[6,6a]C[6a]C[6])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2{3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6,6a]C[5,6])(C[6,6a]C[6a]C[6])(C[6]C[6]O){1|C<4>,2|C<3>,2|O<2>,6|H<1>}	121.1715	1.077	2	121.1715	1.160	2	121.1360	3.868	6	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(H)2	C[6,6a](C[6,6a]C[6,6a]O[6])(C[6,6a]C[6a]C[6])(C[6]O[6]O)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|H<1>,1|O<1>,3|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(H)2{1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]O[6])(C[6,6a]C[6a]C[6])(C[6]O[6]O){1|C<3>,3|C<4>,3|H<1>}	118.0400	0.000	1	118.0400	0.000	1	121.1360	3.868	6	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[5,6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6a]H)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[5,6a]H)(C[6]C[6]HH){1|O<2>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6a]H)(H)2{1|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	119.7960	0.000	1	119.7960	0.000	1	118.4887	0.799	138	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[5,6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]O)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[5,6a]H)(C[6]C[6]HH){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]O){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	118.1570	0.000	1	118.1570	0.000	1	118.4887	0.799	138	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6,6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6,6a]O)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6,6a]H)(C[6]C[6]HH){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6,6a]O){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	116.5240	0.000	1	116.5240	0.000	1	118.4887	0.799	138	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6,6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6,6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6,6a]H)(C[6]C[6]HH){1|N<2>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6,6a]H){2|C<4>,3|C<3>,3|H<1>}	118.6015	0.018	2	118.6015	0.000	2	118.4887	0.799	138	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6,6a]O)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6,6a]O)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6,6a]O)(C[6]C[6]HH){1|O<2>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{1|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6,6a]O){1|C<4>,2|H<1>,2|O<2>,4|C<3>}	118.0420	0.000	1	118.0420	0.000	1	118.4887	0.799	138	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]O)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]O)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]O)(C[6]C[6]HH){2|H<1>,2|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{1|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]O){1|C<4>,2|H<1>,2|O<2>,4|C<3>}	118.5800	1.120	3	118.5800	1.254	3	118.4887	0.799	138	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]C)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH){2|C<2>,2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{5|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]C){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	117.8249	0.324	7	117.8249	0.105	7	118.4887	0.799	138	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]C)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]C)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]C)(C[6]C[6]HH){2|C<2>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{1|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]C){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	117.5000	0.338	2	117.5000	0.114	2	118.4887	0.799	138	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CC)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){2|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CC)(H)2{1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|F<1>,3|C<3>,4|H<1>}	118.6050	0.000	1	118.2490	0.253	2	118.4887	0.799	138	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CC)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CC)(H)2{1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	117.8930	0.000	1	118.2490	0.253	2	118.4887	0.799	138	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CH)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CH)(H)2{1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,5|H<1>}	119.1420	0.413	2	118.5630	1.091	3	118.4887	0.799	138	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CH)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CH)(H)2{1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	117.4050	0.000	1	118.5630	1.091	3	118.4887	0.799	138	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6a]H)(H)2	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<2>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6a]H)(H)2{1|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	119.3900	0.065	2	119.3900	0.004	2	118.4887	0.799	138	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{1|H<1>,1|N<2>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,5|H<1>}	120.2030	0.000	1	118.5542	1.114	26	118.4887	0.799	138	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{1|H<1>,1|N<2>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<2>,3|C<3>,4|H<1>}	118.9762	0.703	8	118.5542	1.114	26	118.4887	0.799	138	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{1|H<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|O<2>,4|H<1>}	118.9330	0.000	1	118.5542	1.114	26	118.4887	0.799	138	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<2>,1|C<4>,3|C<3>,4|H<1>}	118.5353	0.666	9	118.5542	1.114	26	118.4887	0.799	138	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<2>,3|C<3>,4|H<1>}	117.0220	0.667	5	118.5542	1.114	26	118.4887	0.799	138	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|S<4>,3|C<3>,4|H<1>}	119.7680	0.277	2	118.5542	1.114	26	118.4887	0.799	138	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	118.3710	0.286	2	118.3658	0.126	6	118.4887	0.799	138	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|O<2>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	118.1090	0.430	2	118.3658	0.126	6	118.4887	0.799	138	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){2|H<1>,2|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|C<4>,2|O<2>,3|C<3>,3|H<1>}	118.6175	0.320	2	118.3658	0.126	6	118.4887	0.799	138	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	C[6,6a](C[6,6a]C[6,6a]N[6,6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6,6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	118.4920	0.000	1	118.4920	0.000	1	118.4887	0.799	138	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<2>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]2){1|C<4>,1|O<2>,3|H<1>,5|C<3>}	119.1236	0.533	11	119.1236	0.284	11	118.4887	0.799	138	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<2>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|Br<1>,1|C<4>,3|C<3>,3|H<1>}	118.6220	0.000	1	118.9791	0.247	28	118.4887	0.799	138	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<2>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	118.9988	0.510	23	118.9791	0.247	28	118.4887	0.799	138	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,5|H<1>}	118.9555	0.516	4	118.9791	0.247	28	118.4887	0.799	138	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	C[6,6a](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]2){2|C<4>,3|H<1>,6|C<3>}	117.8550	0.000	1	117.8550	0.000	1	118.4887	0.799	138	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	C[6,6a](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|O<2>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	116.5910	0.000	1	116.9680	0.284	2	118.4887	0.799	138	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	C[6,6a](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	117.3450	0.000	1	116.9680	0.284	2	118.4887	0.799	138	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6,6a]C[6,6a]2)(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|Br<1>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6,6a]C[6,6a]2)(C[6a]C[6a]2){1|C<4>,1|O<2>,3|H<1>,6|C<3>}	117.8480	0.283	2	117.7800	0.050	4	118.4887	0.799	138	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6,6a]C[6,6a]2)(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6,6a]C[6,6a]2)(C[6a]C[6a]2){1|C<4>,1|O<2>,3|H<1>,6|C<3>}	117.7120	0.229	2	117.7800	0.050	4	118.4887	0.799	138	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6,6a]C[6,6a]2)(C[6a]C[6a]Br)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|Br<1>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6,6a]C[6,6a]2)(C[6a]C[6a]Br){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	116.1562	0.363	4	116.1562	0.131	4	118.4887	0.799	138	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6,6a]C[6,6a]2)(C[6a]C[6a]C)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|Br<1>,1|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6,6a]C[6,6a]2)(C[6a]C[6a]C){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	118.3380	0.466	4	118.3380	0.217	4	118.4887	0.799	138	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6,6a]C[6,6a]2)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|O<2>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6,6a]C[6,6a]2)(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	117.6600	0.328	7	118.2833	0.382	18	118.4887	0.799	138	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6,6a]C[6,6a]2)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{1|H<1>,1|N<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6,6a]C[6,6a]2)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|C<4>,4|H<1>}	118.8900	0.357	6	118.2833	0.382	18	118.4887	0.799	138	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6,6a]C[6,6a]2)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6,6a]C[6,6a]2)(C[6a]C[6a]H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	118.2590	0.277	2	118.2833	0.382	18	118.4887	0.799	138	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6,6a]C[6,6a]2)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6,6a]C[6,6a]2)(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	118.6120	0.000	1	118.2833	0.382	18	118.4887	0.799	138	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6,6a]C[6,6a]2)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6,6a]C[6,6a]2)(C[6a]C[6a]H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	118.5045	0.018	2	118.2833	0.382	18	118.4887	0.799	138	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	C[6,6a](C[6,6a]N[5a,6a]C[6,6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{1|H<1>,4|C<3>}	C[6,6a](C[6,6a]N[5a,6a]C[6,6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<2>,3|C<3>,4|H<1>}	119.0671	0.500	7	119.0671	0.250	7	118.4887	0.799	138	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6a]HH)(H)2	C[6,6a](C[6,6a]N[6,6a]N[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|N<2>,1|N<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6a]HH)(H)2{1|H<1>,1|N<2>,3|C<3>}	C[6,6a](C[6,6a]N[6,6a]N[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,4|H<1>}	118.9110	0.000	1	118.9110	0.000	1	118.4887	0.799	138	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]C)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]C){2|C<3>,3|C<4>,5|H<1>}	116.4312	0.538	5	116.4312	0.289	5	116.2417	0.447	6	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Co)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|Co<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]Co){1|C<4>,3|H<1>,4|C<3>}	115.2940	0.000	1	115.2940	0.000	1	116.2417	0.447	6	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:N[6a]-3:	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a]2)(C[6]C[6]HH){1|C<2>,3|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{1|N<3>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a]H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	118.1345	0.437	4	118.1345	0.191	4	118.1345	0.191	4	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6])(C[6a]C[5,6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[6]HH){1|N<2>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6])(C[6a]C[5,6a]H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	116.8990	0.000	1	116.8990	0.000	1	119.7663	2.948	52	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[3,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[3,6]O)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	120.7230	0.000	1	120.9985	0.152	2	119.7663	2.948	52	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[3,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[3,6]O)(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	121.2740	0.000	1	120.9985	0.152	2	119.7663	2.948	52	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3x6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[3x6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3x6]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[3x6]O)(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	120.6040	0.068	2	120.6040	0.005	2	119.7663	2.948	52	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,5,6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,5,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,5,6]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,5,6]O)(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	120.7910	0.000	1	120.7910	0.000	1	119.7663	2.948	52	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]C)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{1|H<1>,1|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]C)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	118.1860	0.000	1	118.1860	0.000	1	119.7663	2.948	52	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	119.6460	0.000	1	120.7720	0.353	17	119.7663	2.948	52	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	121.3850	0.116	2	120.7720	0.353	17	119.7663	2.948	52	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	121.5070	0.092	2	120.7720	0.353	17	119.7663	2.948	52	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	120.8845	0.556	4	120.7720	0.353	17	119.7663	2.948	52	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{1|H<1>,1|N<3>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	120.3300	0.457	2	120.7720	0.353	17	119.7663	2.948	52	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	120.5827	0.382	6	120.7720	0.353	17	119.7663	2.948	52	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]O){2|C<3>,2|C<4>,4|H<1>}	120.5515	0.419	2	120.5515	0.176	2	119.7663	2.948	52	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	121.5050	0.127	2	120.6823	0.435	11	119.7663	2.948	52	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	120.2177	0.458	4	120.6823	0.435	11	119.7663	2.948	52	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H){2|C<3>,3|C<4>,3|H<1>}	121.1645	0.251	2	120.6823	0.435	11	119.7663	2.948	52	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	120.4317	0.620	3	120.6823	0.435	11	119.7663	2.948	52	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2{1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	118.9730	0.000	1	118.9730	0.000	1	119.7663	2.948	52	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5]C[6])(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5]C[6])(C[6a]C[6a]2){1|O<2>,2|C<4>,4|H<1>,5|C<3>}	116.0250	0.000	1	116.0250	0.000	1	119.7663	2.948	52	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5]C[6])(C[6a]C[6a]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5]C[6])(C[6a]C[6a]C){2|C<3>,3|C<4>,5|H<1>}	115.6080	0.000	1	115.6080	0.000	1	119.7663	2.948	52	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	117.1110	0.000	1	117.9597	0.618	3	119.7663	2.948	52	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	118.1050	0.000	1	117.9597	0.618	3	119.7663	2.948	52	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|H<1>,1|P<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|P<4>,3|C<3>,4|H<1>}	118.6630	0.000	1	117.9597	0.618	3	119.7663	2.948	52	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CC)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CC)(H)2{1|H<1>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	117.1470	0.000	1	117.1470	0.000	1	119.7663	2.948	52	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]N[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,1|N<2>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)2{1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]N[6])(C[6a]C[6a]H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	117.3735	0.159	2	117.0033	0.424	3	119.7663	2.948	52	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]N[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)2{1|Pd<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]N[6])(C[6a]C[6a]H){1|Pd<4>,1|C<4>,1|N<3>,2|C<3>,4|H<1>}	116.2630	0.000	1	117.0033	0.424	3	119.7663	2.948	52	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)2{1|H<1>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	117.6780	0.000	1	117.6780	0.000	1	119.7663	2.948	52	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5]N[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5]N[6])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|N<3>,4|H<1>}	120.7920	0.000	1	120.7920	0.000	1	119.7663	2.948	52	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<2>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	117.9050	0.000	1	117.2030	0.986	2	119.7663	2.948	52	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|Au<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6])(C[6a]C[6a]H){1|Au<4>,1|C<4>,1|O<2>,3|C<3>,3|H<1>}	116.5010	0.000	1	117.2030	0.986	2	119.7663	2.948	52	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH){1|O<2>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	121.5150	0.000	1	121.5150	0.000	1	119.7663	2.948	52	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6a]C[6a,6a]C[6,6a])(C[6a]O[6a]O)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a,6a]C[6a,6a]2)(C[6,6a]C[6a]C[6])	C[6,6a](C[6,6a]C[6a,6a]C[6,6a])(C[6a]O[6a]O)(C[6]C[6]HH){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{1|O<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a,6a]C[6a,6a]2)(C[6,6a]C[6a]C[6]){1|C<4>,1|O<1>,1|O<2>,3|H<1>,5|C<3>}	121.8140	0.000	1	121.8140	0.000	1	121.8140	0.000	1	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]Br)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[5,6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]Br)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{1|Br<1>,1|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[5,6]O){1|Br<1>,1|C<4>,2|C<3>,2|H<1>,2|O<2>}	120.5850	0.000	1	120.5850	0.000	1	119.7663	2.603	241	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[6]N[6])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[6]HH){1|N<3>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|Cu<5>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[6]N[6]){1|Cu<5>,1|C<4>,1|N<3>,1|O<2>,2|C<3>,3|H<1>}	118.0900	0.000	1	118.0900	0.000	1	119.7663	2.603	241	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6]HH){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)2{2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]N[6]O){1|C<4>,2|C<3>,4|H<1>}	118.4245	0.301	2	118.4245	0.090	2	119.7663	2.603	241	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6]HH){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6]O){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	121.9780	0.000	1	121.9780	0.000	1	119.7663	2.603	241	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]HH){1|H<1>,2|C<4>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]C){1|C<3>,3|C<4>,3|H<1>}	119.7590	0.000	1	119.7590	0.000	1	119.7663	2.603	241	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]O[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<1>,2|H<1>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(H)2{1|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]O[6]O){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	117.4685	0.428	2	116.5655	1.200	4	119.7663	2.603	241	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]O[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<1>,2|H<1>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(H)2{4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]O[6]O){1|C<4>,2|C<3>,3|H<1>}	115.6625	0.394	2	116.5655	1.200	4	119.7663	2.603	241	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]HH){1|C<3>,1|O<1>,1|O<2>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]HH)(H)2{4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]O){1|C<4>,2|C<3>,3|H<1>}	117.8790	0.000	1	117.8790	0.000	1	119.7663	2.603	241	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C[6])(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C[6])(C[6]C[6]HH){1|C<3>,1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,3|C<4>,4|H<1>}	118.0830	0.000	1	118.0830	0.000	1	119.7663	2.603	241	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3x6]O[6]C)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3x6]O[6]C)(H)2{1|H<1>,3|C<3>,3|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]O){1|C<3>,1|C<4>,4|H<1>}	118.3610	0.000	1	118.3610	0.000	1	119.7663	2.603	241	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,1|O<1>,1|O<2>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)2{3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]O){1|C<4>,2|C<3>,5|H<1>}	120.6500	0.000	1	120.6500	0.000	1	119.7663	2.603	241	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<2>,1|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)2{3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<3>,2|C<4>,5|H<1>}	122.3940	0.000	1	122.3940	0.000	1	119.7663	2.603	241	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)2{1|H<1>,1|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	120.8540	0.774	2	120.9358	0.396	9	119.7663	2.603	241	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|F<1>,1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	121.5930	0.000	1	120.9358	0.396	9	119.7663	2.603	241	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	120.8333	0.971	3	120.9358	0.396	9	119.7663	2.603	241	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,3|C<4>,4|H<1>}	120.5100	0.000	1	120.9358	0.396	9	119.7663	2.603	241	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)2{1|H<1>,1|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	121.0555	0.006	2	120.9358	0.396	9	119.7663	2.603	241	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C[5])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2{3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C[5])(C[6]C[6]O){1|C<4>,2|C<3>,2|O<2>,6|H<1>}	121.5695	0.247	2	121.5695	0.061	2	119.7663	2.603	241	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2{1|H<1>,1|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	121.5452	0.366	4	121.4134	0.187	5	119.7663	2.603	241	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2{3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|C<4>,6|H<1>}	120.8860	0.000	1	121.4134	0.187	5	119.7663	2.603	241	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]C){1|C<4>,3|C<3>,6|H<1>}	116.6610	0.000	1	116.6610	0.000	1	119.7663	2.603	241	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]O){1|C<4>,1|O<2>,3|C<3>,5|H<1>}	121.3940	0.010	2	120.4040	2.940	3	119.7663	2.603	241	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|O<2>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]O){1|C<4>,4|C<3>,4|H<1>}	118.4240	0.000	1	120.4040	2.940	3	119.7663	2.603	241	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Br)(C[6]C[6]N)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|Br<1>,1|C<3>,1|C<4>,1|N<2>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Br)(C[6]C[6]N){1|C<3>,2|C<4>,5|H<1>}	118.9680	0.000	1	118.9680	0.000	1	119.7663	2.603	241	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Cl)(C[6]C[6]N)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|Cl<1>,1|C<3>,1|C<4>,1|N<2>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Cl)(C[6]C[6]N){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	119.3460	0.000	1	118.7115	0.805	2	119.7663	2.603	241	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Cl)(C[6]C[6]N)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|Cl<1>,1|C<3>,1|C<4>,1|N<2>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Cl)(C[6]C[6]N){1|C<4>,2|C<3>,5|H<1>}	118.0770	0.000	1	118.7115	0.805	2	119.7663	2.603	241	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2){2|C<3>,2|C<4>,6|H<1>}	121.4920	0.000	1	121.4920	0.000	1	119.7663	2.603	241	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|O<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	121.9640	0.000	1	120.5185	3.029	22	119.7663	2.603	241	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<3>,1|C<4>,6|H<1>}	119.3645	0.207	2	120.5185	3.029	22	119.7663	2.603	241	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<3>,2|C<4>,5|H<1>}	121.3440	1.603	8	120.5185	3.029	22	119.7663	2.603	241	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<3>,1|C<4>,5|H<1>}	119.3355	0.480	2	120.5185	3.029	22	119.7663	2.603	241	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<4>,2|C<3>,5|H<1>}	117.7700	0.000	1	120.5185	3.029	22	119.7663	2.603	241	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<3>,1|C<4>,6|H<1>}	122.2017	0.330	3	120.5185	3.029	22	119.7663	2.603	241	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<4>,2|C<3>,5|H<1>}	122.0600	0.000	1	120.5185	3.029	22	119.7663	2.603	241	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<3>,2|C<4>,4|H<1>}	118.0200	0.000	1	120.5185	3.029	22	119.7663	2.603	241	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	118.9330	0.204	2	120.5185	3.029	22	119.7663	2.603	241	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<4>,2|C<3>,4|H<1>}	118.9690	0.000	1	120.5185	3.029	22	119.7663	2.603	241	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){2|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Cl<1>,1|C<3>,2|C<4>,3|H<1>}	118.5360	0.000	1	118.5360	0.000	1	119.7663	2.603	241	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]N)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<2>,1|O<2>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]N){1|C<3>,1|C<4>,6|H<1>}	120.2680	0.916	2	120.4278	1.805	24	119.7663	2.603	241	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]N)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<2>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]N){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	122.4630	0.180	2	120.4278	1.805	24	119.7663	2.603	241	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]N)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<2>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]N){1|C<3>,2|C<4>,5|H<1>}	121.9068	0.478	5	120.4278	1.805	24	119.7663	2.603	241	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]N)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<2>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]N){1|C<3>,1|C<4>,6|H<1>}	120.3841	0.496	8	120.4278	1.805	24	119.7663	2.603	241	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]N)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]N){1|C<3>,1|C<4>,6|H<1>}	119.3370	0.165	4	120.4278	1.805	24	119.7663	2.603	241	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]N)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]N){1|C<3>,2|C<4>,4|H<1>}	118.2350	0.000	1	120.4278	1.805	24	119.7663	2.603	241	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]N)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|H<1>,1|S<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]N){1|C<3>,1|C<4>,1|S<4>,4|H<1>}	118.3080	0.288	2	120.4278	1.805	24	119.7663	2.603	241	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|Br<1>,1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){2|C<3>,2|C<4>,4|H<1>}	119.8345	0.736	2	120.4803	1.015	86	119.7663	2.603	241	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|I<1>,1|O<1>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|C<4>,6|H<1>}	120.7480	0.000	1	120.4803	1.015	86	119.7663	2.603	241	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|H<1>,1|S<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|O<2>,1|S<2>,2|C<3>,3|H<1>}	121.8750	0.000	1	120.4803	1.015	86	119.7663	2.603	241	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{2|Cl<1>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){2|Cl<1>,1|C<3>,1|C<4>,4|H<1>}	121.5090	0.266	2	120.4803	1.015	86	119.7663	2.603	241	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|F<1>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|F<1>,2|C<4>,4|H<1>}	121.2975	0.354	2	120.4803	1.015	86	119.7663	2.603	241	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|N<3>,1|O<2>,2|C<4>,3|H<1>}	121.9470	0.000	1	120.4803	1.015	86	119.7663	2.603	241	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|N<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|N<4>,2|C<4>,4|H<1>}	121.1870	0.000	1	120.4803	1.015	86	119.7663	2.603	241	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|N<3>,1|O<2>,2|C<4>,3|H<1>}	121.1040	0.000	1	120.4803	1.015	86	119.7663	2.603	241	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	121.2127	0.269	4	120.4803	1.015	86	119.7663	2.603	241	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){2|C<3>,2|C<4>,4|H<1>}	121.2327	0.632	9	120.4803	1.015	86	119.7663	2.603	241	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	120.3530	0.280	2	120.4803	1.015	86	119.7663	2.603	241	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,2|C<4>,5|H<1>}	120.7195	0.412	11	120.4803	1.015	86	119.7663	2.603	241	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|Cl<1>,1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|Br<1>,1|Cl<1>,1|C<4>,2|C<3>,3|H<1>}	120.5650	0.000	1	120.4803	1.015	86	119.7663	2.603	241	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|F<1>,1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|F<1>,2|C<3>,4|H<1>}	121.0220	0.123	2	120.4803	1.015	86	119.7663	2.603	241	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|F<1>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|Br<1>,1|C<3>,1|C<4>,1|F<1>,4|H<1>}	121.2980	0.000	1	120.4803	1.015	86	119.7663	2.603	241	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	120.1710	0.000	1	120.4803	1.015	86	119.7663	2.603	241	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,3|C<4>,4|H<1>}	120.5100	0.000	1	120.4803	1.015	86	119.7663	2.603	241	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|N<3>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	121.1300	0.305	2	120.4803	1.015	86	119.7663	2.603	241	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|Se<2>,1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|Se<2>,1|C<4>,2|C<3>,4|H<1>}	120.9795	0.110	2	120.4803	1.015	86	119.7663	2.603	241	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{2|Cl<1>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){3|Cl<1>,1|C<3>,1|C<4>,3|H<1>}	121.3840	0.000	1	120.4803	1.015	86	119.7663	2.603	241	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,2|C<3>,5|H<1>}	121.2915	0.235	2	120.4803	1.015	86	119.7663	2.603	241	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	120.4300	0.000	1	120.4803	1.015	86	119.7663	2.603	241	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|C<4>,6|H<1>}	121.1275	1.794	4	120.4803	1.015	86	119.7663	2.603	241	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|C<4>,6|H<1>}	120.2825	0.770	2	120.4803	1.015	86	119.7663	2.603	241	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,3|C<4>,4|H<1>}	120.3070	0.000	1	120.4803	1.015	86	119.7663	2.603	241	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|Cl<1>,1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|F<1>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|F<1>,2|C<4>,4|H<1>}	121.9810	0.000	1	120.4803	1.015	86	119.7663	2.603	241	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,2|C<3>,4|H<1>}	120.0595	0.270	4	120.4803	1.015	86	119.7663	2.603	241	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|O<1>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	121.2310	0.000	1	120.4803	1.015	86	119.7663	2.603	241	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|O<1>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,2|C<3>,4|H<1>}	119.5642	0.360	9	120.4803	1.015	86	119.7663	2.603	241	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|O<2>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,2|C<3>,4|H<1>}	118.9603	0.555	13	120.4803	1.015	86	119.7663	2.603	241	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)2{1|H<1>,1|O<2>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	120.6390	0.000	1	120.6390	0.000	1	119.7663	2.603	241	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H)2{2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,1|C<4>,5|H<1>}	118.5895	0.078	2	118.8120	0.208	4	119.7663	2.603	241	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H)2{2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,2|C<4>,4|H<1>}	119.0345	0.647	2	118.8120	0.208	4	119.7663	2.603	241	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]H)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]H)(H)2{1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]O){1|C<3>,1|C<4>,4|H<1>}	118.1020	0.000	1	118.1020	0.000	1	119.7663	2.603	241	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CC)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CC)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]C){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	117.0800	0.000	1	117.0800	0.000	1	119.7663	2.603	241	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CC)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]N)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,2|C<4>,2|H<1>,2|N<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CC)(H)2{2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]N){1|C<3>,1|C<4>,5|H<1>}	118.4587	0.203	4	118.4587	0.041	4	119.7663	2.603	241	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CC)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CC)(H)2{1|H<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	119.0440	0.000	1	118.8605	0.067	2	119.7663	2.603	241	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CC)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CC)(H)2{2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,1|C<4>,5|H<1>}	118.6770	0.000	1	118.8605	0.067	2	119.7663	2.603	241	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]N)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<2>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)2{1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]N){1|C<3>,1|C<4>,4|H<1>}	119.0040	0.000	1	119.4465	0.392	2	119.7663	2.603	241	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]N)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){2|C<3>,2|N<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)2{2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]N){1|C<3>,1|C<4>,5|H<1>}	119.8890	0.000	1	119.4465	0.392	2	119.7663	2.603	241	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)2{1|H<1>,1|S<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,1|C<4>,1|S<4>,4|H<1>}	118.2810	0.000	1	119.1085	0.327	6	119.7663	2.603	241	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)2{2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,1|C<4>,5|H<1>}	119.3310	0.500	4	119.1085	0.327	6	119.7663	2.603	241	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)2{1|H<1>,1|S<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,1|C<4>,1|S<4>,4|H<1>}	119.0460	0.000	1	119.1085	0.327	6	119.7663	2.603	241	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<2>,1|O<2>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]C){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	118.3130	0.000	1	119.7003	1.457	3	119.7663	2.603	241	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]C){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	120.2800	0.000	1	119.7003	1.457	3	119.7663	2.603	241	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]C){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	120.5080	0.000	1	119.7003	1.457	3	119.7663	2.603	241	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|N<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H){1|C<4>,2|C<3>,4|H<1>}	117.5032	0.462	5	117.5032	0.214	5	119.7663	2.603	241	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]N)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,2|N<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]N){1|C<3>,1|C<4>,5|H<1>}	118.7260	0.000	1	118.7260	0.000	1	119.7663	2.603	241	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	119.3190	0.000	1	118.4380	0.447	5	119.7663	2.603	241	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|N<3>,1|O<1>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<4>,2|C<3>,4|H<1>}	118.1353	0.607	3	118.4380	0.447	5	119.7663	2.603	241	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|N<3>,1|O<1>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,1|C<4>,5|H<1>}	118.4650	0.000	1	118.4380	0.447	5	119.7663	2.603	241	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]S)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|N<2>,1|O<2>,1|S<2>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]S){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	116.9870	0.000	1	116.9870	0.000	1	119.7663	2.603	241	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(H)2{1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]O){1|C<3>,1|C<4>,4|H<1>}	117.9010	0.238	2	118.1947	0.326	4	119.7663	2.603	241	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(H)2{1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]O){1|Cl<1>,1|C<3>,1|C<4>,3|H<1>}	117.9510	0.000	1	118.1947	0.326	4	119.7663	2.603	241	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|O<1>,2|C<3>,2|H<1>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(H)2{1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]O){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	119.0260	0.000	1	118.1947	0.326	4	119.7663	2.603	241	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]O[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|H<1>,1|O<1>,3|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(H)2{1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]O[6]O){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	117.6300	0.000	1	117.4288	0.343	19	119.7663	2.603	241	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]O[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|H<1>,1|O<1>,3|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(H)2{1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]O[6]O){1|C<3>,1|C<4>,4|H<1>}	117.2499	0.325	9	117.4288	0.343	19	119.7663	2.603	241	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]O[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|H<1>,1|O<1>,3|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(H)2{1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]O[6]O){1|C<3>,2|C<4>,3|H<1>}	117.6365	0.103	2	117.4288	0.343	19	119.7663	2.603	241	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]O[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<1>,2|H<1>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(H)2{1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]O[6]O){1|C<3>,1|C<4>,4|H<1>}	117.5707	0.892	7	117.4288	0.343	19	119.7663	2.603	241	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CO)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<1>,2|H<1>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CO)(H)2{1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]O){1|C<3>,1|C<4>,4|H<1>}	119.0970	0.000	1	119.0970	0.000	1	119.7663	2.603	241	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|O<2>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]HH)(H)2{1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]C){1|C<2>,1|C<3>,1|C<4>,3|H<1>}	117.3710	0.000	1	117.3710	0.000	1	119.7663	2.603	241	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]HO)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|O<1>,2|O<2>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]HO)(H)2{1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]O){1|C<3>,1|C<4>,4|H<1>}	118.4980	0.000	1	118.4980	0.000	1	119.7663	2.603	241	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2{1|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	118.0260	0.000	1	118.0260	0.000	1	119.7663	2.603	241	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	123.5560	0.000	1	121.6150	7.535	2	119.7663	2.603	241	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH){1|O<2>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	119.6740	0.000	1	121.6150	7.535	2	119.7663	2.603	241	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH){1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	121.2970	0.000	1	121.2970	0.000	1	119.7663	2.603	241	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<1>,2|H<1>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(H)2{1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]O){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	118.3005	0.069	2	118.3005	0.005	2	119.7663	2.603	241	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]O[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH){1|C<3>,1|C<4>,1|H<1>,1|O<1>,3|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(H)2{1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]O[6]O){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	118.1600	0.000	1	118.1600	0.000	1	119.7663	2.603	241	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a,6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a,6a]H)(C[6]C[6]HH){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(N[6]C[6]C){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	119.3275	0.254	2	119.3275	0.064	2	119.6594	4.171	92	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a,6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a,6a]H)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(N[6]C[6]H){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	118.8100	0.552	2	118.8100	0.304	2	119.6594	4.171	92	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]Br)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]Br)(C[6]C[6]HH){1|C<4>,1|F<1>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|Br<1>,1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){2|Br<1>,1|C<3>,2|C<4>,3|H<1>}	122.5789	0.720	8	122.5789	0.519	8	119.6594	4.171	92	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]C)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5a]C[6a])(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]C)(C[6]C[6]HH){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<2>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5a]C[6a])(N[6]C[6]H){1|C<2>,1|C<4>,1|S<2>,2|C<3>,5|H<1>}	119.6300	0.000	1	119.6300	0.000	1	119.6594	4.171	92	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]B[5]C[6]H)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|B<3>,1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]B[5]C[6]H)(H)2{1|N<3>,2|H<1>,2|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<4>,2|C<3>,5|H<1>}	117.1960	0.000	1	119.6870	12.410	2	119.6594	4.171	92	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]B[5]C[6]H)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|B<3>,1|C<4>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]B[5]C[6]H)(H)2{1|N<3>,2|H<1>,2|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<4>,2|C<3>,5|H<1>}	122.1780	0.000	1	119.6870	12.410	2	119.6594	4.171	92	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|Br<1>,1|H<1>,2|C<4>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)2{1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){2|C<3>,2|C<4>,4|H<1>}	118.8540	0.000	1	119.0248	1.035	6	119.6594	4.171	92	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH){2|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)2{1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	119.2830	0.000	1	119.0248	1.035	6	119.6594	4.171	92	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH){2|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)2{1|N<3>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|Br<1>,1|C<4>,2|C<3>,4|H<1>}	117.8915	0.293	2	119.0248	1.035	6	119.6594	4.171	92	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH){2|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)2{1|N<3>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<4>,2|C<3>,5|H<1>}	120.1145	0.218	2	119.0248	1.035	6	119.6594	4.171	92	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)2{1|N<3>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|C<4>,6|H<1>}	120.7700	0.342	2	120.7700	0.117	2	119.6594	4.171	92	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,1|S<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){1|C<3>,2|C<4>,5|H<1>}	123.0980	0.000	1	123.0980	0.000	1	119.6594	4.171	92	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2{1|N<3>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|C<4>,6|H<1>}	122.5210	0.000	1	122.5210	0.000	1	119.6594	4.171	92	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|Br<1>,1|C<4>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2{1|N<3>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,2|C<3>,5|H<1>}	119.1860	0.000	1	120.6707	1.801	3	119.6594	4.171	92	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,1|F<1>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2{1|N<3>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|C<4>,6|H<1>}	121.7980	0.000	1	120.6707	1.801	3	119.6594	4.171	92	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2{1|N<3>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	121.0280	0.000	1	120.6707	1.801	3	119.6594	4.171	92	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CN)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|F<1>,1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CN)(H)2{1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|C<4>,1|F<1>,1|O<1>,3|H<1>}	118.3380	0.000	1	118.7285	0.305	2	119.6594	4.171	92	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CN)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CN)(H)2{1|N<3>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<4>,2|C<3>,5|H<1>}	119.1190	0.000	1	118.7285	0.305	2	119.6594	4.171	92	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6]P)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|P<4>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|N<3>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6]P){1|C<4>,2|C<3>,5|H<1>}	123.1740	0.000	1	123.1740	0.000	1	119.6594	4.171	92	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<2>,1|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|C<4>,6|H<1>}	118.8617	1.376	3	118.3366	3.164	16	119.6594	4.171	92	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,2|C<4>,5|H<1>}	120.6300	0.000	1	118.3366	3.164	16	119.6594	4.171	92	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,1|F<1>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,2|C<4>,5|H<1>}	115.6060	0.549	2	118.3366	3.164	16	119.6594	4.171	92	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){2|C<3>,2|C<4>,4|H<1>}	118.9060	0.000	1	118.3366	3.164	16	119.6594	4.171	92	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,2|C<4>,5|H<1>}	116.5090	0.000	1	118.3366	3.164	16	119.6594	4.171	92	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<4>,3|C<3>,4|H<1>}	118.1090	0.000	1	118.3366	3.164	16	119.6594	4.171	92	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|C<4>,6|H<1>}	119.2378	1.474	5	118.3366	3.164	16	119.6594	4.171	92	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|Cl<1>,1|C<4>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	116.0590	0.000	1	118.3366	3.164	16	119.6594	4.171	92	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH){3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	119.1860	0.000	1	118.3366	3.164	16	119.6594	4.171	92	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|Br<1>,1|C<3>,1|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,2|C<4>,5|H<1>}	117.1590	0.000	1	118.5349	1.266	25	119.6594	4.171	92	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|C<4>,6|H<1>}	119.2680	0.000	1	118.5349	1.266	25	119.6594	4.171	92	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,3|C<3>,4|H<1>}	120.9170	0.000	1	118.5349	1.266	25	119.6594	4.171	92	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	119.6987	0.890	3	118.5349	1.266	25	119.6594	4.171	92	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|C<4>,6|H<1>}	119.8940	0.762	3	118.5349	1.266	25	119.6594	4.171	92	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|Cl<1>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	118.5155	0.136	2	118.5349	1.266	25	119.6594	4.171	92	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|O<2>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	118.2240	0.000	1	118.5349	1.266	25	119.6594	4.171	92	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH){2|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	117.8458	0.552	13	118.5349	1.266	25	119.6594	4.171	92	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]P)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|P<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]P){1|C<3>,2|C<4>,5|H<1>}	122.6240	0.000	1	122.6240	0.000	1	119.6594	4.171	92	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|S<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){1|C<3>,2|C<4>,5|H<1>}	116.9525	0.032	2	120.1473	8.331	7	119.6594	4.171	92	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|S<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){1|C<3>,1|C<4>,6|H<1>}	122.4290	0.647	4	120.1473	8.331	7	119.6594	4.171	92	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|S<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|N<3>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){1|C<4>,2|C<3>,5|H<1>}	117.4100	0.000	1	120.1473	8.331	7	119.6594	4.171	92	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Ir)(N[6]C[6]P)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|Ir<4>,1|C<3>,1|C<4>,1|P<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Ir)(N[6]C[6]P){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	120.3640	0.000	1	120.3640	0.000	1	119.6594	4.171	92	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N[6])(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N[6])(N[6]C[6]H){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	117.2080	0.000	1	117.2080	0.000	1	119.6594	4.171	92	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Pd)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|Pd<4>,1|C<4>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Pd)(N[6]C[6]C){1|C<3>,1|C<4>,6|H<1>}	120.5900	0.742	2	120.5900	0.551	2	119.6594	4.171	92	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(H)2{1|N<3>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|C<4>,6|H<1>}	120.4020	0.000	1	120.7040	0.182	2	119.6594	4.171	92	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(H)2{1|N<3>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,2|C<3>,5|H<1>}	121.0060	0.000	1	120.7040	0.182	2	119.6594	4.171	92	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HS)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|S<2>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HS)(H)2{1|N<3>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,2|C<3>,5|H<1>}	120.3810	0.000	1	120.3810	0.000	1	119.6594	4.171	92	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]SiH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|Br<1>,1|Si<3>,1|C<3>,1|C<4>,1|S<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]SiH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){1|C<3>,2|C<4>,5|H<1>}	122.8150	0.000	1	122.4973	0.090	3	119.6594	4.171	92	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]SiH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|Br<1>,1|Si<4>,1|C<3>,1|C<4>,1|S<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]SiH)(H)2{1|N<3>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){1|C<3>,1|C<4>,6|H<1>}	122.3385	0.170	2	122.4973	0.090	3	119.6594	4.171	92	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]N)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,1|S<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]N)(H)2{1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	118.2290	0.000	1	118.2290	0.000	1	119.6594	4.171	92	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]O)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]O)(C[6]C[6]HH){1|C<3>,2|H<1>,4|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6]C){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	122.1260	0.000	1	122.1260	0.000	1	119.6594	4.171	92	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[5]H)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[5]H)(H)2{1|N<2>,1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H){1|C<3>,3|C<4>,7|H<1>}	119.8360	0.000	1	119.8360	0.000	1	120.4357	1.833	3	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	121.9860	0.000	1	120.7355	3.128	2	120.4357	1.833	3	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H){1|C<4>,1|N<2>,1|O<1>,2|C<3>,4|H<1>}	119.4850	0.000	1	120.7355	3.128	2	120.4357	1.833	3	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CC)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<2>,1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CC)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){1|C<3>,3|C<4>,7|H<1>}	120.4560	0.000	1	120.1477	0.282	3	120.2717	0.922	6	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CC)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CC)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){1|Br<1>,1|C<3>,3|C<4>,6|H<1>}	119.9935	0.648	2	120.1477	0.282	3	120.2717	0.922	6	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|Br<1>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CH)(H)2{1|N<3>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,7|H<1>}	120.9660	0.000	1	121.1965	0.106	2	120.2717	0.922	6	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CH)(H)2{1|N<3>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,7|H<1>}	121.4270	0.000	1	121.1965	0.106	2	120.2717	0.922	6	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|H<1>,2|C<3>,2|N<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<2>,2|C<4>,5|H<1>}	118.7940	0.000	1	118.7940	0.000	1	120.2717	0.922	6	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:N[6,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6a]C[6,6a]N[6,6a])(C[6a]N[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])	C[6,6a](C[6,6a]C[6,6a]N[6,6a])(C[6a]N[6a]H)(C[6]C[6]HH){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6]){1|C<4>,1|N<2>,4|C<3>,5|H<1>}	119.5580	0.000	1	119.5580	0.000	1	119.5580	0.000	1	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]C)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]C)(C[6]C[6]HH){3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	118.1300	0.000	1	118.1300	0.000	1	120.2499	4.781	7	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6a]C[6])(C[6a]C[6a]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6a]C[6])(C[6a]C[6a]C){1|C<4>,1|N<2>,2|C<3>,6|H<1>}	123.0155	0.233	2	123.0155	0.054	2	120.2499	4.781	7	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6a]C[6])(C[6a]C[6a]H){3|C<3>,3|C<4>,4|H<1>}	119.4420	0.000	1	119.3970	1.976	4	120.2499	4.781	7	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,6|H<1>}	121.3280	0.000	1	119.3970	1.976	4	120.2499	4.781	7	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH){3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<2>,1|O<1>,2|C<3>,4|H<1>}	118.4090	0.495	2	119.3970	1.976	4	120.2499	4.781	7	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6a,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])	C[6,6a](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]HH){3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{1|H<1>,4|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6]){1|C<4>,4|H<1>,6|C<3>}	117.7270	0.000	1	117.7270	0.000	1	118.2198	0.829	4	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6a,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6,6a]C[6,6a]2)	C[6,6a](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]HH){3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{1|H<1>,4|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6,6a]C[6,6a]2){1|C<4>,4|H<1>,6|C<3>}	118.8880	0.799	2	118.8880	0.638	2	118.2198	0.829	4	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6a,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]N[6a])(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])	C[6,6a](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]N[6a])(C[6]C[6]HH){2|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{1|N<2>,4|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6]){1|C<4>,1|N<2>,4|H<1>,5|C<3>}	117.3760	0.000	1	117.3760	0.000	1	118.2198	0.829	4	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[6]2)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[6]2){3|C<4>,4|C<3>,5|H<1>}	117.5729	1.341	8	117.5729	1.799	8	117.8102	1.688	10	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{2|H<1>,3|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[6]C){1|C<4>,3|C<3>,5|H<1>}	118.3460	0.000	1	118.3460	0.000	1	117.8102	1.688	10	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]N[6a]C)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]N[6a]C)(C[6]C[6]HH){3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|H<1>,1|N<2>,3|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[6]H){1|C<4>,1|N<2>,3|C<3>,4|H<1>}	119.1730	0.000	1	119.1730	0.000	1	117.8102	1.688	10	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]2)(C[6]C[6]HH){1|C<4>,3|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|N<3>,2|H<1>,3|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]C){1|C<4>,1|N<2>,3|C<3>,5|H<1>}	122.5600	0.000	1	122.5600	0.000	1	122.4960	0.008	2	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,3|H<1>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]C){1|C<4>,3|C<3>,6|H<1>}	122.4320	0.000	1	122.4320	0.000	1	122.4960	0.008	2	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]C)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)2	C[6,6a](C[6a]C[6,6a]C[5a])(C[6,6a]C[6a]C[6])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]C)(C[6]C[6]HH){1|N<3>,1|O<1>,2|C<3>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)2{2|H<1>,4|C<3>}	C[6,6a](C[6a]C[6,6a]C[5a])(C[6,6a]C[6a]C[6])(C[6]C[6]O){1|C<4>,2|S<2>,3|C<3>,4|H<1>}	119.3480	0.000	1	119.3480	0.000	1	118.4430	1.044	4	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]C)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]C)(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{2|H<1>,4|C<3>}	C[6,6a](C[6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[6]O){1|C<4>,1|S<2>,4|C<3>,4|H<1>}	119.3070	0.000	1	119.3070	0.000	1	118.4430	1.044	4	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]HH)(H)2	C[6,6a](C[6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]O[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6]HH){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]HH)(H)2{1|H<1>,3|C<3>}	C[6,6a](C[6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]O[6]O){1|C<4>,3|H<1>,4|C<3>}	117.5585	0.052	2	117.5585	0.003	2	118.4430	1.044	4	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	N[5a,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6a]N[5a,6a]C[6,6a])(C[6a]N[6a]C)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	C[6,6a](N[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])	C[6,6a](C[6,6a]N[5a,6a]C[6,6a])(C[6a]N[6a]C)(C[6]C[6]HH){1|N<2>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{1|C<4>,1|N<2>,1|N<3>,2|C<3>}	C[6,6a](N[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6]){1|N<2>,2|C<4>,3|H<1>,4|C<3>}	118.0189	0.402	7	118.0189	0.161	7	118.0189	0.161	7	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]CC)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]C)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]N[6]HH){1|H<1>,3|C<3>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]CC)(H)2{1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]C){1|C<4>,1|N<4>,3|C<3>,4|H<1>}	117.9170	0.000	1	118.3300	0.341	2	118.3300	0.341	2	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]CC)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]C)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]N[6]HH){1|H<1>,3|C<3>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]CC)(H)2{1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]C){1|N<4>,3|C<3>,5|H<1>}	118.7430	0.000	1	118.3300	0.341	2	118.3300	0.341	2	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<3>,1|N<4>,1|O<2>,2|C<4>,3|H<1>}	122.1510	0.000	1	122.1510	0.000	1	122.1510	0.000	1	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:O[6]-3:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]In[6]C[6]H)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]In[6]In)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HH){2|In<4>,1|C<3>,1|H<1>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]In[6]C[6]H)(H)2{1|O<3>,2|C<3>,2|H<1>,4|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]In[6]In){1|C<3>,1|N<4>,2|C<4>,4|H<1>}	120.2470	0.000	1	120.2470	0.000	1	120.2470	0.000	1	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-4:H-1:H-1:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]B[6]CC)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6a]B[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|B<4>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]B[6]CC)(H)2{1|H<1>,1|N<3>,2|C<3>,2|F<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6a]B[6])(C[6a]C[6a]H){1|N<4>,2|F<1>,3|C<3>,4|H<1>}	119.2320	0.000	1	119.2320	0.000	1	119.2320	0.000	1	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:P[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]P[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(P[6]C[6,6a]C[6a]B)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]P[6]HH){1|B<4>,1|H<1>,1|O<2>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(P[6]C[6,6a]C[6a]B)(H)2{1|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|P<4>,3|C<3>,5|H<1>}	120.3720	0.406	2	120.3720	0.165	2	120.3720	0.165	2	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:S[6]-4:H-1:H-1:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]S[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6,6]OO)(H)2	C[6,6a](C[6,6]C[6,6]O[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]S[6]HH){1|O<2>,2|C<3>,2|H<1>,2|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6,6]OO)(H)2{1|H<1>,4|C<3>}	C[6,6a](C[6,6]C[6,6]O[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,2|S<4>,4|H<1>}	120.7870	0.000	1	120.7870	0.000	1	120.7870	0.000	1	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:N[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a,6a]C[6])(N[6a]C[6a]2)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]N[6a]C[6])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a,6a]C[6])(N[6a]C[6a]2)(C[6]C[6]HH){1|C<4>,2|H<1>,2|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(H)2{2|H<1>,4|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]N[6a]C[6])(C[6]C[6]O){1|C<4>,4|C<3>,5|H<1>}	124.0800	0.000	1	124.0800	0.000	1	124.3725	0.171	2	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:N[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a,6a]C[6])(N[6a]C[6a]O)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]CC)(H)2	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]N[6a]C[6])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a,6a]C[6])(N[6a]C[6a]O)(C[6]C[6]HH){2|C<3>,2|O<1>,3|C<4>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]CC)(H)2{1|O<2>,2|H<1>,3|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]N[6a]C[6])(C[6]C[6]O){1|C<4>,1|O<2>,3|C<3>,5|H<1>}	124.6650	0.000	1	124.6650	0.000	1	124.3725	0.171	2	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[3x6]-4:H-1:H-1:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]N[6,6]C[6a])(C[6]C[3x6]HH)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[3x6]C[6,6a]C[6,6]2)(H)2	C[6,6a](C[6,6a]C[6a,6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]N[6,6]C[6a])(C[6]C[3x6]HH){2|C<4>,2|H<1>,5|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[3x6]C[6,6a]C[6,6]2)(H)2{1|N<2>,1|N<3>,2|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,7|H<1>}	120.9960	0.000	1	120.9960	0.000	1	120.9960	0.000	1	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]2)(C[6]C[6]HH)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]HH)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a,6a]C[6])(C[6,6a]C[6,6a]2)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]2)(C[6]C[6]HH){1|C<2>,2|H<1>,6|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]HH)(H)2{5|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a,6a]C[6])(C[6,6a]C[6,6a]2){1|Br<1>,2|C<4>,2|H<1>,6|C<3>}	117.1328	0.574	4	117.4937	0.515	6	117.4937	0.515	6	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]2)(C[6]C[6]HH)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]HH)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a,6a]C[6])(C[6,6a]C[6,6a]2)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]2)(C[6]C[6]HH){3|H<1>,6|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]HH)(H)2{5|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a,6a]C[6])(C[6,6a]C[6,6a]2){2|C<4>,2|H<1>,7|C<3>}	118.2155	0.153	2	117.4937	0.515	6	117.4937	0.515	6	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]C[6a]2)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a,6a]C[6])(C[6a]O[6a]O)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|H<1>,1|O<1>,1|O<2>,6|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]C[6a]2)(H)2{9|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a,6a]C[6])(C[6a]O[6a]O){1|C<4>,3|H<1>,4|C<3>}	117.4950	0.000	1	117.4950	0.000	1	117.4950	0.000	1	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[6]HH)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[6]HH){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)(H)2{2|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){2|C<3>,3|C<4>,3|H<1>}	121.1830	0.000	1	121.1830	0.000	1	119.6033	2.861	3	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[6]HH)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]N[6]HH)(H)2	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[5a]N[6a])(C[6]C[6a]N[6])	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[6]HH){2|N<2>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]N[6]HH)(H)2{4|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[5a]N[6a])(C[6]C[6a]N[6]){1|C<4>,1|S<2>,2|H<1>,5|C<3>}	117.8190	0.000	1	117.8190	0.000	1	119.6033	2.861	3	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6a,6a]C[6a,6a]O[6a])(C[6,6a]C[6a]C[6])(C[6]C[6]HH)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HO)(H)2	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6a,6a]C[6a,6a]O[6a])(C[6,6a]C[6a]C[6])(C[6]C[6]HH){1|O<2>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HO)(H)2{1|H<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	119.8080	0.000	1	119.8080	0.000	1	119.6033	2.861	3	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	N[5a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](N[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]C[6])(C[6]C[6]HH)	C[6](C[6,6a]N[5a,6a]C[6,6a])(C[6]C[6]CC)(H)2	C[6,6a](C[6,6a]N[5a,6a]C[6])(C[6a]C[6a]N[6a])(C[6]C[6]O)	C[6,6a](N[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]C[6])(C[6]C[6]HH){1|N<2>,1|O<1>,3|C<3>,3|C<4>}	C[6](C[6,6a]N[5a,6a]C[6,6a])(C[6]C[6]CC)(H)2{1|N<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]N[5a,6a]C[6])(C[6a]C[6a]N[6a])(C[6]C[6]O){1|C<4>,1|N<2>,3|C<3>,4|H<1>}	125.5850	0.297	2	125.5850	0.088	2	125.7614	0.345	5	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	N[5a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](N[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]C[6])(C[6]C[6]HH)	C[6](C[6,6a]N[5a,6a]C[6,6a])(C[6]C[6]CC)(H)2	C[6,6a](C[6,6a]N[5a,6a]C[6])(C[6a]N[6a]C)(C[6]C[6]O)	C[6,6a](N[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]C[6])(C[6]C[6]HH){1|N<2>,1|O<1>,2|C<3>,4|C<4>}	C[6](C[6,6a]N[5a,6a]C[6,6a])(C[6]C[6]CC)(H)2{1|N<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]N[5a,6a]C[6])(C[6a]N[6a]C)(C[6]C[6]O){1|C<3>,1|C<4>,1|N<2>,4|H<1>}	126.3235	0.062	2	126.3235	0.004	2	125.7614	0.345	5	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	N[5a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](N[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]C[6])(C[6]C[6]HH)	C[6](C[6,6a]N[5a,6a]C[6,6a])(C[6]C[6]CC)(H)2	C[6,6a](C[6,6a]N[5a,6a]C[6])(C[6a]N[6a]H)(C[6]C[6]O)	C[6,6a](N[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]C[6])(C[6]C[6]HH){1|H<1>,1|N<2>,1|O<1>,2|C<3>,3|C<4>}	C[6](C[6,6a]N[5a,6a]C[6,6a])(C[6]C[6]CC)(H)2{1|N<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]N[5a,6a]C[6])(C[6a]N[6a]H)(C[6]C[6]O){1|C<3>,1|C<4>,1|N<2>,4|H<1>}	124.9900	0.000	1	124.9900	0.000	1	125.7614	0.345	5	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	N[5a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a](N[5a,6a]C[5a,6a]O[5a])(C[6,6a]C[6a,6a]C[6])(C[6]C[6]HH)	C[6](C[6,6a]N[5a,6a]C[6,6a])(C[6]C[6]CC)(H)2	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]N[5a,6a]C[6])(C[6]C[6]O)	C[6,6a](N[5a,6a]C[5a,6a]O[5a])(C[6,6a]C[6a,6a]C[6])(C[6]C[6]HH){1|O<1>,3|C<4>,4|C<3>}	C[6](C[6,6a]N[5a,6a]C[6,6a])(C[6]C[6]CC)(H)2{1|O<2>,2|H<1>,3|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]N[5a,6a]C[6])(C[6]C[6]O){1|C<4>,1|O<2>,3|C<3>,5|H<1>}	126.7540	0.000	1	126.7540	0.000	1	126.7540	0.000	1	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	N[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a](N[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]C[6])(C[6]C[6]HH)	C[6](C[6,6a]N[6a,6a]C[6,6a])(C[6]C[6]CH)(H)2	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]N[6a,6a]C[6])(C[6]C[6]O)	C[6,6a](N[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]C[6])(C[6]C[6]HH){1|H<1>,1|N<2>,2|C<4>,2|O<1>,3|C<3>}	C[6](C[6,6a]N[6a,6a]C[6,6a])(C[6]C[6]CH)(H)2{2|H<1>,4|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]N[6a,6a]C[6])(C[6]C[6]O){1|C<4>,4|C<3>,5|H<1>}	122.0390	0.000	1	122.0390	0.000	1	123.1435	2.440	2	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	N[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a](N[6a,6a]N[6a,6a]C[6a])(C[6,6a]C[6a,6a]C[6])(C[6]C[6]HH)	C[6](C[6,6a]N[6a,6a]C[6,6a])(C[6]C[6]CC)(H)2	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]N[6a,6a]C[6])(C[6]C[6]O)	C[6,6a](N[6a,6a]N[6a,6a]C[6a])(C[6,6a]C[6a,6a]C[6])(C[6]C[6]HH){2|O<1>,3|C<4>,4|C<3>}	C[6](C[6,6a]N[6a,6a]C[6,6a])(C[6]C[6]CC)(H)2{1|N<3>,2|H<1>,3|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]N[6a,6a]C[6])(C[6]C[6]O){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	124.2480	0.000	1	124.2480	0.000	1	123.1435	2.440	2	119.2705	3.307	883	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[5,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[5,6a]C[5,6a]C[5,6])(C[6,6a]C[6a]C[6])(C[6]C[6]HH)	C[6](C[6,6a]C[5,6a]C[6,6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[5,6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH)	C[6,6a](C[5,6a]C[5,6a]C[5,6])(C[6,6a]C[6a]C[6])(C[6]C[6]HH){1|C<3>,1|O<2>,4|C<4>,5|H<1>}	C[6](C[6,6a]C[5,6a]C[6,6a])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[5,6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH){1|C<3>,2|C<4>,5|H<1>}	121.1620	0.000	1	121.1620	0.000	1	121.5117	0.099	3	120.9641	2.113	466	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[5,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6a]C[6])(C[6]C[6]HH)	C[6](C[6,6a]C[5,6a]C[6,6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[5,6a]C[6])(C[6a]N[6a]C[5])(C[6]C[6]HH)	C[6,6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6a]C[6])(C[6]C[6]HH){1|C<4>,1|N<2>,1|O<1>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[5,6a]C[6,6a])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[5,6a]C[6])(C[6a]N[6a]C[5])(C[6]C[6]HH){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	121.6020	0.000	1	121.6020	0.000	1	121.5117	0.099	3	120.9641	2.113	466	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[5,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[5,6a]C[5,6a]P[5])(C[6,6a]C[6a]C[6])(C[6]C[6]HH)	C[6](C[6,6a]C[5,6a]C[6,6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[5,6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)	C[6,6a](C[5,6a]C[5,6a]P[5])(C[6,6a]C[6a]C[6])(C[6]C[6]HH){1|B<4>,1|C<4>,1|N<3>,4|C<3>,4|H<1>}	C[6](C[6,6a]C[5,6a]C[6,6a])(C[6]C[6]HH)(H)2{1|C<4>,1|P<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[5,6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH){1|C<4>,1|P<4>,3|C<3>,5|H<1>}	121.7710	0.000	1	121.7710	0.000	1	121.5117	0.099	3	120.9641	2.113	466	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[5a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[5a,6a]C[5a,6a]C[5a])(C[6,6a]C[6a]C[6])(C[6]C[6]HH)	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]S[6]HH)(H)2	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6a]C[6a]N[6a])(C[6]S[6]HH)	C[6,6a](C[5a,6a]C[5a,6a]C[5a])(C[6,6a]C[6a]C[6])(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,1|S<2>,2|N<2>,4|H<1>}	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]S[6]HH)(H)2{1|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6a]C[6a]N[6a])(C[6]S[6]HH){1|C<4>,2|H<1>,4|C<3>}	124.5730	0.000	1	124.5730	0.000	1	124.5730	0.000	1	120.9641	2.113	466	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:Br-1:H-1:	C[6,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6,6a]C[6])2(C[6]C[6]BrH)	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(Br)(H)	C[6,6a](C[6,6a]C[6,6a]C[6])2(C[6]C[6]BrH)	C[6,6a](C[6,6a]C[6,6a]C[6])2(C[6]C[6]BrH){2|Br<1>,1|C<3>,4|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(Br)(H){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]C[6])2(C[6]C[6]BrH){2|Br<1>,1|C<3>,4|C<4>,4|H<1>}	120.5528	0.594	4	120.5528	0.353	4	120.5528	0.353	4	120.9641	2.113	466	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]O[6])(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]O[6])(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]O[6])(C[6]C[6]HH){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]O[6])(C[6]C[6]HH){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	123.0580	0.000	1	123.0580	0.000	1	123.0580	0.000	1	120.9641	2.113	466	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6,6,6a]O[6])(C[6,6a]C[6a]C[6])(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]CO)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]O)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6,6,6a]O[6])(C[6,6a]C[6a]C[6])(C[6]C[6]HH){1|C<3>,2|H<1>,2|O<2>,4|C<4>}	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]CO)(H)2{1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]O)(C[6]C[6]HH){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	120.2560	0.000	1	120.2560	0.000	1	120.8513	0.385	10	120.9641	2.113	466	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(C[6]C[6]HH){1|C<3>,5|C<4>,5|H<1>}	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	121.0600	0.000	1	120.6698	0.217	6	120.8513	0.385	10	120.9641	2.113	466	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(C[6]C[6]HH){1|C<3>,5|C<4>,5|H<1>}	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	121.2640	0.000	1	120.6698	0.217	6	120.8513	0.385	10	120.9641	2.113	466	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(C[6]C[6]HH){1|O<1>,2|C<3>,3|H<1>,4|C<4>}	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|C<4>,2|C<3>,5|H<1>}	120.3120	0.000	1	120.6698	0.217	6	120.8513	0.385	10	120.9641	2.113	466	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(C[6]C[6]HH){1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|C<4>,2|C<3>,5|H<1>}	120.4055	0.549	2	120.6698	0.217	6	120.8513	0.385	10	120.9641	2.113	466	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(C[6]C[6]HH){2|F<1>,3|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|C<3>,2|C<4>,5|H<1>}	120.5720	0.000	1	120.6698	0.217	6	120.8513	0.385	10	120.9641	2.113	466	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CO)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(C[6]C[6]HH){1|O<1>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CO){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	120.6730	0.000	1	120.6730	0.000	1	120.8513	0.385	10	120.9641	2.113	466	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6,6a]O[6])(C[6,6a]C[6a]C[6])(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6,6a]O[6])(C[6,6a]C[6a]C[6])(C[6]C[6]HH){1|C<3>,3|C<4>,5|H<1>}	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	121.9590	0.000	1	121.9590	0.000	1	120.8513	0.385	10	120.9641	2.113	466	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6,6a]O[6])(C[6,6a]C[6a]C[6])(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HO)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6,6a]O[6])(C[6,6a]C[6a]C[6])(C[6]C[6]HH){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HO)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	121.6060	0.000	1	121.6060	0.000	1	120.8513	0.385	10	120.9641	2.113	466	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[5,6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[5,6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[5,6]HH){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2{1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[5,6]HH){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	119.3085	4.388	2	119.4518	9.558	4	119.2040	7.475	5	120.9641	2.113	466	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[5,6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[5,6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[5,6]HH){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2{2|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[5,6]HH){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	119.5950	3.056	2	119.4518	9.558	4	119.2040	7.475	5	120.9641	2.113	466	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[5,6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]C)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]N[5,6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[5,6]HH){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]C)(H)2{2|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]N[5,6]HH){1|C<4>,3|C<3>,3|H<1>}	118.2130	0.000	1	118.2130	0.000	1	119.2040	7.475	5	120.9641	2.113	466	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6,6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]2C)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6,6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6,6]HH){2|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]2C)(H)2{2|C<3>,3|H<1>,4|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6,6]HH){2|C<3>,2|C<4>,4|H<1>}	120.9960	0.000	1	120.9960	0.000	1	120.4370	0.625	2	120.9641	2.113	466	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6,6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6,6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6,6]HH){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2{2|C<3>,3|H<1>,4|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6,6]HH){2|C<3>,3|C<4>,3|H<1>}	119.8780	0.000	1	119.8780	0.000	1	120.4370	0.625	2	120.9641	2.113	466	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:Br-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]Br)(C[6]C[6]BrH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrH)(Br)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]Br)(C[6]C[6]BrH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]Br)(C[6]C[6]BrH){3|Br<1>,1|C<2>,1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrH)(Br)(H){2|Br<1>,1|C<4>,1|H<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]Br)(C[6]C[6]BrH){3|Br<1>,1|C<4>,2|C<3>,2|H<1>}	119.1280	0.000	1	119.5325	0.327	2	119.5325	0.327	2	120.9641	2.113	466	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:Br-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]Br)(C[6]C[6]BrH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrH)(Br)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]Br)(C[6]C[6]BrH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]Br)(C[6]C[6]BrH){3|Br<1>,1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrH)(Br)(H){2|Br<1>,1|C<4>,1|H<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]Br)(C[6]C[6]BrH){3|Br<1>,1|C<2>,1|C<3>,1|C<4>,2|H<1>}	119.9370	0.000	1	119.5325	0.327	2	119.5325	0.327	2	120.9641	2.113	466	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:F-1:F-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]FF)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]FF)(F)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]FF)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]FF){1|C<3>,1|C<4>,1|H<1>,1|O<2>,4|F<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]FF)(F)2{1|C<4>,1|O<2>,2|C<3>,2|F<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]FF){1|C<3>,1|C<4>,1|H<1>,1|O<2>,4|F<1>}	121.9474	0.541	5	121.9474	0.292	5	121.9474	0.292	5	120.9641	2.113	466	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:F-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]FH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HS)(F)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]FH){1|C<3>,1|C<4>,1|S<4>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HS)(F)(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|F<1>,5|H<1>}	122.5700	0.000	1	122.5700	0.000	1	121.8095	1.157	2	120.9641	2.113	466	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:F-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]FH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(F)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]FH){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(F)(H){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|C<4>,1|F<1>,2|C<3>,3|H<1>}	121.0490	0.000	1	121.0490	0.000	1	121.8095	1.157	2	120.9641	2.113	466	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[5,6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[5,6a]C[5,6a]P[5])(C[6,6a]C[6a]C[6])(C[6]C[6]HH)	C[6,6a](C[6,6a]C[5,6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH){1|C<4>,1|P<4>,3|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[5,6a]C[5,6a]P[5])(C[6,6a]C[6a]C[6])(C[6]C[6]HH){1|B<4>,1|C<4>,1|N<3>,4|C<3>,4|H<1>}	119.9700	0.000	1	119.9700	0.000	1	121.1960	1.175	3	120.9641	2.113	466	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[5,6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[5,6a]C[5,6a]C[5,6])(C[6,6a]C[6a]C[6])(C[6]C[6]HH)	C[6,6a](C[6,6a]C[5,6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH){1|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[5,6a]C[5,6a]C[5,6])(C[6,6a]C[6a]C[6])(C[6]C[6]HH){1|C<3>,1|O<2>,4|C<4>,5|H<1>}	122.0270	0.000	1	122.0270	0.000	1	121.1960	1.175	3	120.9641	2.113	466	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[5,6a]C[6])(C[6a]N[6a]C[5])(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6a]C[6])(C[6]C[6]HH)	C[6,6a](C[6,6a]C[5,6a]C[6])(C[6a]N[6a]C[5])(C[6]C[6]HH){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6,6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6a]C[6])(C[6]C[6]HH){1|C<4>,1|N<2>,1|O<1>,3|C<3>,4|H<1>}	121.5910	0.000	1	121.5910	0.000	1	121.1960	1.175	3	120.9641	2.113	466	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6a]C[6a]C)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]C[6])(C[6]C[6]CH)	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6a]C[6a]C)(C[6]C[6]HH){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]C[6])(C[6]C[6]CH){2|C<4>,3|C<3>,5|H<1>}	120.1840	0.000	1	120.1840	0.000	1	120.1840	0.000	1	120.9641	2.113	466	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]O)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H)2	C[6,6a](C[6,6a]C[6,6,6a]O[6])(C[6,6a]C[6a]C[6])(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]O)(C[6]C[6]HH){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H)2{2|C<3>,2|C<4>,2|O<2>}	C[6,6a](C[6,6a]C[6,6,6a]O[6])(C[6,6a]C[6a]C[6])(C[6]C[6]HH){1|C<3>,2|H<1>,2|O<2>,4|C<4>}	122.7500	0.000	1	122.7500	0.000	1	122.0620	0.868	7	120.9641	2.113	466	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(C[6]C[6]HO)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(C[6]C[6]HO){1|C<4>,1|O<1>,3|C<3>,5|H<1>}	122.7445	0.336	2	122.7445	0.113	2	122.0620	0.868	7	120.9641	2.113	466	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(C[6]C[6]HN)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,1|N<2>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(C[6]C[6]HN){1|C<4>,1|O<1>,3|C<3>,5|H<1>}	122.3820	0.000	1	122.2895	0.017	2	122.0620	0.868	7	120.9641	2.113	466	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(C[6]C[6]HN)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(C[6]C[6]HN){1|C<4>,1|O<1>,3|C<3>,5|H<1>}	122.1970	0.000	1	122.2895	0.017	2	122.0620	0.868	7	120.9641	2.113	466	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6,6a]O[6])(C[6,6a]C[6a]C[6])(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6,6a]O[6])(C[6,6a]C[6a]C[6])(C[6]C[6]HH){1|C<3>,3|C<4>,5|H<1>}	120.3470	0.000	1	120.3470	0.000	1	122.0620	0.868	7	120.9641	2.113	466	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(H)2	C[6,6a](C[6,6a]C[6,6a]O[6])(C[6,6a]C[6a]C[6])(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]O[6])(C[6,6a]C[6a]C[6])(C[6]C[6]HH){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	121.2690	0.000	1	121.2690	0.000	1	122.0620	0.868	7	120.9641	2.113	466	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H)2{1|H<1>,2|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[6]HH){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	119.9360	0.000	1	119.9360	0.000	1	120.8815	1.749	360	120.9641	2.113	466	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[6]HH){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(H)2{1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	122.0820	0.000	1	122.0820	0.000	1	120.8815	1.749	360	120.9641	2.113	466	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]N[6]CH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<4>,1|O<2>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|H<1>,2|C<3>,3|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]N[6]CH){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	121.5180	0.000	1	121.5180	0.000	1	120.8815	1.749	360	120.9641	2.113	466	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5a,6a]C)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5a,6a]H)(C[6]N[6]CH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5a,6a]C)(C[6]C[6]HH){1|C<3>,1|C<4>,2|N<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{2|C<3>,3|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5a,6a]H)(C[6]N[6]CH){2|C<3>,2|H<1>,3|C<4>}	119.1370	0.000	1	119.1370	0.000	1	120.8815	1.749	360	120.9641	2.113	466	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5a,6a]O)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5a,6a]H)(C[6]O[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5a,6a]O)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(H)2{1|C<4>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5a,6a]H)(C[6]O[6]HH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.8360	0.000	1	120.8360	0.000	1	120.8815	1.749	360	120.9641	2.113	466	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]O)(C[6]O[6]CH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]H)(C[6]C[6]HH){1|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]O)(C[6]O[6]CH){1|C<4>,2|C<3>,3|H<1>}	118.5970	0.000	1	118.5970	0.000	1	120.8815	1.749	360	120.9641	2.113	466	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]O)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]O)(C[6]C[6]HO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]O)(C[6]C[6]HH){1|C<4>,1|H<1>,3|C<3>,3|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]O)(C[6]C[6]HO){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	122.5960	1.203	2	122.5960	1.448	2	120.8815	1.749	360	120.9641	2.113	466	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]B)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]B)(C[6]C[6]HH){1|C<4>,2|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|B<4>,1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6]HH){1|B<4>,1|C<4>,2|C<3>,4|H<1>}	118.3130	0.000	1	118.3130	0.000	1	120.8815	1.749	360	120.9641	2.113	466	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]Br)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]N[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]Br)(C[6]C[6]HH){1|N<3>,2|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|Br<1>,1|C<4>,1|S<4>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]N[6]HH){1|Br<1>,1|C<4>,1|S<4>,2|C<3>,2|H<1>}	119.9012	0.479	5	119.9012	0.230	5	120.8815	1.749	360	120.9641	2.113	466	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]C)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]C)(C[6]C[6]HH){1|C<4>,2|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6]HH){2|C<3>,2|C<4>,4|H<1>}	120.0290	0.000	1	120.0290	0.000	1	120.8815	1.749	360	120.9641	2.113	466	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]B)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6]HH){1|B<4>,1|C<4>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]B)(C[6]C[6]HH){1|C<4>,2|C<3>,5|H<1>}	119.8360	0.000	1	119.8360	0.000	1	120.8815	1.749	360	120.9641	2.113	466	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]C)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6]HH){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]C)(C[6]C[6]HH){1|C<4>,2|C<3>,5|H<1>}	121.0860	0.000	1	121.0860	0.000	1	120.8815	1.749	360	120.9641	2.113	466	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6]CH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6]HH){1|C<4>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)2{1|C<4>,1|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6]CH){1|C<4>,3|H<1>,4|C<3>}	121.6700	0.000	1	121.6700	0.000	1	120.8815	1.749	360	120.9641	2.113	466	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]I)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]N[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]I)(C[6]C[6]HH){1|N<3>,2|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|C<4>,1|I<1>,1|S<4>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]N[6]HH){1|C<4>,1|I<1>,1|S<4>,2|C<3>,2|H<1>}	119.3540	0.000	1	119.3540	0.000	1	120.8815	1.749	360	120.9641	2.113	466	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]O)(C[6]O[6]CH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6]HH){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(H)2{1|C<4>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]O)(C[6]O[6]CH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	117.7330	0.000	1	117.7330	0.000	1	120.8815	1.749	360	120.9641	2.113	466	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH){1|C<4>,2|C<2>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]HH){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	121.0015	0.547	2	121.0015	0.299	2	120.8815	1.749	360	120.9641	2.113	466	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,2|C<3>,5|H<1>}	119.9695	0.914	6	120.1824	0.434	19	120.8815	1.749	360	120.9641	2.113	466	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH){1|C<4>,1|O<2>,3|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,2|C<3>,5|H<1>}	120.1557	0.269	9	120.1824	0.434	19	120.8815	1.749	360	120.9641	2.113	466	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH){1|C<4>,1|P<4>,3|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,2|C<3>,5|H<1>}	120.5617	0.857	4	120.1824	0.434	19	120.8815	1.749	360	120.9641	2.113	466	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N[5])(C[6]C[5]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH){1|N<3>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N[5])(C[6]C[5]C[6]O){1|O<2>,2|C<4>,4|C<3>,6|H<1>}	121.5450	0.000	1	121.5450	0.000	1	120.8815	1.749	360	120.9641	2.113	466	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]P[5])(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH){1|C<4>,1|P<4>,3|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]P[5])(C[6]C[6]HH){1|B<4>,1|C<4>,4|H<1>,5|C<3>}	121.2980	0.000	1	121.2980	0.000	1	120.8815	1.749	360	120.9641	2.113	466	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]HH){1|C<3>,3|H<1>,4|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,2|C<4>,5|H<1>}	119.9700	0.276	2	119.9700	0.076	2	120.8815	1.749	360	120.9641	2.113	466	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]HH){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]HH){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	121.1030	0.000	1	121.1030	0.000	1	120.8815	1.749	360	120.9641	2.113	466	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]HH){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<2>,1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH){1|C<4>,2|C<2>,3|C<3>,4|H<1>}	121.5405	0.138	2	121.5405	0.019	2	120.8815	1.749	360	120.9641	2.113	466	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]HH){1|C<2>,1|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]HH){1|C<3>,1|P<4>,2|C<4>,4|H<1>}	121.2150	0.000	1	120.9950	0.097	2	120.8815	1.749	360	120.9641	2.113	466	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]HH){1|C<3>,1|P<4>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]HH){1|C<2>,1|C<3>,2|C<4>,4|H<1>}	120.7750	0.000	1	120.9950	0.097	2	120.8815	1.749	360	120.9641	2.113	466	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]HH){2|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|C<4>,2|C<3>,5|H<1>}	121.0500	0.000	1	121.0500	0.000	1	120.8815	1.749	360	120.9641	2.113	466	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]HH){1|C<3>,1|C<4>,6|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,2|C<3>,5|H<1>}	119.9270	0.000	1	120.0910	0.054	2	120.8815	1.749	360	120.9641	2.113	466	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]HH){1|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){2|C<3>,2|C<4>,4|H<1>}	120.2550	0.000	1	120.0910	0.054	2	120.8815	1.749	360	120.9641	2.113	466	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]HH){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H)2{1|H<1>,2|C<3>,3|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]HH){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	121.8030	0.000	1	121.8030	0.000	1	120.8815	1.749	360	120.9641	2.113	466	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]2)(C[6]N[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]HH){2|C<3>,2|N<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|C<2>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]2)(C[6]N[6]HH){2|C<2>,2|C<4>,2|H<1>,3|C<3>}	121.1360	0.000	1	121.1360	0.000	1	120.8815	1.749	360	120.9641	2.113	466	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6]H)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HW)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,1|W<7>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6]H)(H)2{1|C<4>,1|W<7>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HW){1|C<3>,1|C<4>,5|H<1>}	118.9890	0.000	1	118.9890	0.000	1	120.8815	1.749	360	120.9641	2.113	466	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]N[6]H)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,2|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]N[6]H)(H)2{1|C<4>,1|N<2>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|C<3>,1|C<4>,5|H<1>}	121.1330	0.000	1	121.1330	0.000	1	120.8815	1.749	360	120.9641	2.113	466	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]N[6]H)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,2|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]N[6]H)(H)2{1|C<4>,1|N<2>,1|S<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|C<3>,1|C<4>,5|H<1>}	120.8276	0.336	5	120.8276	0.113	5	120.8815	1.749	360	120.9641	2.113	466	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]HO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]HO){1|C<3>,2|C<4>,5|H<1>}	121.8170	0.000	1	121.8170	0.000	1	120.8815	1.749	360	120.9641	2.113	466	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,3|H<1>,4|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	122.7940	1.024	2	122.7940	1.048	2	120.8815	1.749	360	120.9641	2.113	466	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2{1|H<1>,2|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){2|C<3>,2|C<4>,4|H<1>}	119.6810	0.000	1	119.6810	0.000	1	120.8815	1.749	360	120.9641	2.113	466	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HN)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<2>,1|C<3>,1|C<4>,1|N<2>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HN){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	122.2300	0.000	1	122.1620	0.009	2	120.8815	1.749	360	120.9641	2.113	466	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HN)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,1|N<2>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HN){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	122.0940	0.000	1	122.1620	0.009	2	120.8815	1.749	360	120.9641	2.113	466	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<3>,1|C<4>,6|H<1>}	121.8810	0.000	1	121.5945	0.164	2	120.8815	1.749	360	120.9641	2.113	466	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<3>,1|C<4>,6|H<1>}	121.3080	0.000	1	121.5945	0.164	2	120.8815	1.749	360	120.9641	2.113	466	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]CH){1|C<4>,1|O<2>,3|C<3>,5|H<1>}	122.1870	0.000	1	122.1870	0.000	1	120.8815	1.749	360	120.9641	2.113	466	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,2|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	122.2453	0.948	6	121.9179	0.699	19	120.8815	1.749	360	120.9641	2.113	466	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,2|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH){1|C<4>,1|O<2>,3|C<3>,5|H<1>}	122.0050	0.566	9	121.9179	0.699	19	120.8815	1.749	360	120.9641	2.113	466	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,2|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH){1|C<4>,1|P<4>,3|C<3>,5|H<1>}	121.2308	0.986	4	121.9179	0.699	19	120.8815	1.749	360	120.9641	2.113	466	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HO){1|C<4>,3|C<3>,6|H<1>}	121.8583	0.412	3	121.8583	0.169	3	120.8815	1.749	360	120.9641	2.113	466	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]CH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|F<1>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]CH){1|C<3>,1|C<4>,6|H<1>}	122.7220	0.000	1	122.7220	0.000	1	120.8815	1.749	360	120.9641	2.113	466	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|H<1>,2|C<3>,3|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]HH){1|C<3>,3|H<1>,4|C<4>}	122.0445	0.248	2	122.1840	0.061	4	120.8815	1.749	360	120.9641	2.113	466	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,2|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]HH){1|C<3>,1|C<4>,6|H<1>}	122.4710	0.000	1	122.1840	0.061	4	120.8815	1.749	360	120.9641	2.113	466	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]HH){1|C<3>,2|C<4>,5|H<1>}	122.1760	0.000	1	122.1840	0.061	4	120.8815	1.749	360	120.9641	2.113	466	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2O){1|C<3>,1|N<3>,2|C<4>,7|H<1>}	119.7580	0.000	1	119.7580	0.000	1	120.8815	1.749	360	120.9641	2.113	466	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|Cl<1>,1|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|C<3>,1|C<4>,6|H<1>}	121.4610	0.000	1	120.8553	0.784	3	120.8815	1.749	360	120.9641	2.113	466	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	119.8390	0.000	1	120.8553	0.784	3	120.8815	1.749	360	120.9641	2.113	466	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){2|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|C<3>,1|C<4>,6|H<1>}	121.2660	0.000	1	120.8553	0.784	3	120.8815	1.749	360	120.9641	2.113	466	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<2>,1|C<3>,1|C<4>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|C<4>,1|N<2>,5|H<1>}	121.2230	0.000	1	121.1359	3.040	16	120.8815	1.749	360	120.9641	2.113	466	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,2|C<4>,5|H<1>}	122.0430	0.000	1	121.1359	3.040	16	120.8815	1.749	360	120.9641	2.113	466	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	121.6640	0.000	1	121.1359	3.040	16	120.8815	1.749	360	120.9641	2.113	466	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	121.2390	0.000	1	121.1359	3.040	16	120.8815	1.749	360	120.9641	2.113	466	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|C<4>,6|H<1>}	122.6204	0.296	5	121.1359	3.040	16	120.8815	1.749	360	120.9641	2.113	466	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,2|C<4>,5|H<1>}	117.9887	0.364	3	121.1359	3.040	16	120.8815	1.749	360	120.9641	2.113	466	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,2|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|C<4>,1|N<2>,4|H<1>}	119.7330	0.000	1	121.1359	3.040	16	120.8815	1.749	360	120.9641	2.113	466	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,2|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	121.9450	0.000	1	121.1359	3.040	16	120.8815	1.749	360	120.9641	2.113	466	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,2|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|P<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|C<4>,1|P<4>,5|H<1>}	121.5480	0.000	1	121.1359	3.040	16	120.8815	1.749	360	120.9641	2.113	466	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,2|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|H<1>,1|N<2>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|Br<1>,1|C<3>,1|N<2>,2|C<4>,3|H<1>}	121.7110	0.000	1	121.1359	3.040	16	120.8815	1.749	360	120.9641	2.113	466	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CN)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CN){1|Br<1>,1|C<3>,1|C<4>,5|H<1>}	122.0560	0.000	1	122.0560	0.000	1	120.8815	1.749	360	120.9641	2.113	466	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CO){1|C<3>,1|C<4>,6|H<1>}	121.3770	0.000	1	121.5845	0.086	2	120.8815	1.749	360	120.9641	2.113	466	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CO){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	121.7920	0.000	1	121.5845	0.086	2	120.8815	1.749	360	120.9641	2.113	466	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]FH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|F<1>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]FH){1|C<3>,1|C<4>,1|S<4>,5|H<1>}	120.4290	0.000	1	120.4290	0.000	1	120.8815	1.749	360	120.9641	2.113	466	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,6|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	121.5720	0.000	1	121.2450	0.034	5	120.8815	1.749	360	120.9641	2.113	466	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,6|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,2|C<4>,5|H<1>}	121.1250	0.000	1	121.2450	0.034	5	120.8815	1.749	360	120.9641	2.113	466	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,6|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,2|C<3>,5|H<1>}	121.1560	0.000	1	121.2450	0.034	5	120.8815	1.749	360	120.9641	2.113	466	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,6|H<1>}	121.2080	0.000	1	121.2450	0.034	5	120.8815	1.749	360	120.9641	2.113	466	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,2|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,6|H<1>}	121.1640	0.000	1	121.2450	0.034	5	120.8815	1.749	360	120.9641	2.113	466	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HN)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<2>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HN){1|Br<1>,1|C<3>,1|C<4>,5|H<1>}	122.1710	0.000	1	121.4908	0.424	26	120.8815	1.749	360	120.9641	2.113	466	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HN)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<2>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HN){1|C<3>,1|C<4>,6|H<1>}	121.4617	0.059	4	121.4908	0.424	26	120.8815	1.749	360	120.9641	2.113	466	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HN)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<2>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HN){1|C<3>,2|C<4>,5|H<1>}	121.6940	0.000	1	121.4908	0.424	26	120.8815	1.749	360	120.9641	2.113	466	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HN)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<2>,1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HN){1|C<2>,1|C<3>,1|C<4>,5|H<1>}	122.0730	0.000	1	121.4908	0.424	26	120.8815	1.749	360	120.9641	2.113	466	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HN)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|F<1>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HN){1|C<3>,1|C<4>,1|F<1>,5|H<1>}	120.4073	0.689	3	121.4908	0.424	26	120.8815	1.749	360	120.9641	2.113	466	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HN)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HN){1|C<3>,1|C<4>,6|H<1>}	121.5983	0.679	11	121.4908	0.424	26	120.8815	1.749	360	120.9641	2.113	466	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HN)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HN){1|C<4>,2|C<3>,5|H<1>}	121.5355	0.456	2	121.4908	0.424	26	120.8815	1.749	360	120.9641	2.113	466	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HN)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HN){1|C<3>,2|C<4>,5|H<1>}	121.7010	0.318	3	121.4908	0.424	26	120.8815	1.749	360	120.9641	2.113	466	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<1>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<3>,1|C<4>,6|H<1>}	120.8470	0.000	1	121.8349	0.421	14	120.8815	1.749	360	120.9641	2.113	466	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|Br<1>,1|C<3>,1|C<4>,5|H<1>}	122.0798	0.539	4	121.8349	0.421	14	120.8815	1.749	360	120.9641	2.113	466	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|Br<1>,1|C<4>,2|C<3>,4|H<1>}	122.1995	0.203	2	121.8349	0.421	14	120.8815	1.749	360	120.9641	2.113	466	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|N<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<3>,1|C<4>,1|N<4>,5|H<1>}	122.0710	0.000	1	121.8349	0.421	14	120.8815	1.749	360	120.9641	2.113	466	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|P<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<3>,1|C<4>,1|P<4>,5|H<1>}	120.2320	0.000	1	121.8349	0.421	14	120.8815	1.749	360	120.9641	2.113	466	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|Cl<1>,1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|Cl<1>,1|C<4>,2|C<3>,4|H<1>}	122.2700	0.000	1	121.8349	0.421	14	120.8815	1.749	360	120.9641	2.113	466	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<3>,2|C<4>,5|H<1>}	121.6810	0.003	2	121.8349	0.421	14	120.8815	1.749	360	120.9641	2.113	466	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|Cl<1>,1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|Cl<1>,1|C<3>,1|C<4>,5|H<1>}	122.0945	0.293	2	121.8349	0.421	14	120.8815	1.749	360	120.9641	2.113	466	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<2>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(C[6]C[6]HH){1|C<3>,1|C<4>,6|H<1>}	121.5590	0.000	1	120.5266	2.745	5	120.8815	1.749	360	120.9641	2.113	466	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(C[6]C[6]HH){1|C<3>,1|C<4>,6|H<1>}	121.1533	0.356	3	120.5266	2.745	5	120.8815	1.749	360	120.9641	2.113	466	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(C[6]C[6]HH){1|C<4>,2|C<3>,5|H<1>}	117.6140	0.000	1	120.5266	2.745	5	120.8815	1.749	360	120.9641	2.113	466	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N[6])(C[6]C[5]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|N<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N[6])(C[6]C[5]C[6]O){1|O<2>,2|C<4>,3|C<3>,7|H<1>}	122.4925	0.380	2	122.4925	0.144	2	120.8815	1.749	360	120.9641	2.113	466	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]CC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]CC){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	121.4834	0.403	5	121.4834	0.162	5	120.8815	1.749	360	120.9641	2.113	466	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]CH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]CH){1|C<3>,1|C<4>,6|H<1>}	121.8740	0.000	1	120.4880	3.842	2	120.8815	1.749	360	120.9641	2.113	466	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]CH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]CH){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	119.1020	0.000	1	120.4880	3.842	2	120.8815	1.749	360	120.9641	2.113	466	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|O<2>,2|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	120.3620	0.000	1	120.3620	0.000	1	120.8815	1.749	360	120.9641	2.113	466	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]N[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<2>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]N[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,5|H<1>}	121.4815	0.033	2	121.4815	0.001	2	120.8815	1.749	360	120.9641	2.113	466	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	120.4650	0.000	1	120.4650	0.000	1	120.8815	1.749	360	120.9641	2.113	466	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	121.5450	0.000	1	121.5450	0.000	1	120.8815	1.749	360	120.9641	2.113	466	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<4>,1|O<2>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	121.4860	0.000	1	121.4860	0.000	1	120.8815	1.749	360	120.9641	2.113	466	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	121.0420	0.000	1	121.2275	0.227	32	120.8815	1.749	360	120.9641	2.113	466	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	121.2346	0.492	30	121.2275	0.227	32	120.8815	1.749	360	120.9641	2.113	466	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,6|H<1>}	121.2010	0.000	1	121.2275	0.227	32	120.8815	1.749	360	120.9641	2.113	466	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(H)2{2|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,2|C<4>,5|H<1>}	121.8120	0.000	1	121.8120	0.000	1	120.8815	1.749	360	120.9641	2.113	466	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)2{1|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH){1|C<4>,2|C<3>,5|H<1>}	120.9160	0.000	1	120.9160	0.000	1	120.8815	1.749	360	120.9641	2.113	466	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]N[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<2>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)2{1|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]N[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,5|H<1>}	121.7400	0.000	1	121.7400	0.000	1	120.8815	1.749	360	120.9641	2.113	466	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,2|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H)2{1|C<4>,1|H<1>,1|S<4>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|C<3>,1|C<4>,1|S<4>,4|H<1>}	118.2350	2.481	2	118.2350	6.153	2	120.8815	1.749	360	120.9641	2.113	466	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]N[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H)2{1|C<4>,1|H<1>,1|S<4>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]N[6]HH){1|C<3>,1|C<4>,1|O<2>,1|S<4>,3|H<1>}	119.7750	0.000	1	119.7750	0.000	1	120.8815	1.749	360	120.9641	2.113	466	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|C<3>,1|C<4>,5|H<1>}	120.9335	0.103	2	119.2671	5.553	14	120.8815	1.749	360	120.9641	2.113	466	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<4>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)2{1|H<1>,2|C<3>,3|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|C<3>,3|C<4>,4|H<1>}	120.0150	0.000	1	119.2671	5.553	14	120.8815	1.749	360	120.9641	2.113	466	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	117.6380	0.000	1	119.2671	5.553	14	120.8815	1.749	360	120.9641	2.113	466	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,2|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|C<4>,2|C<3>,4|H<1>}	116.0940	0.655	4	119.2671	5.553	14	120.8815	1.749	360	120.9641	2.113	466	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,2|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|C<3>,2|C<4>,4|H<1>}	120.4943	1.077	3	119.2671	5.553	14	120.8815	1.749	360	120.9641	2.113	466	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<4>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	121.7880	0.000	2	119.2671	5.553	14	120.8815	1.749	360	120.9641	2.113	466	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<4>,2|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|C<3>,2|C<4>,5|H<1>}	120.7850	0.000	1	119.2671	5.553	14	120.8815	1.749	360	120.9641	2.113	466	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]N[6]CH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|N<4>,2|C<4>,2|H<1>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]N[6]CH){1|C<4>,2|C<3>,5|H<1>}	121.3805	0.165	2	121.3805	0.027	2	120.8815	1.749	360	120.9641	2.113	466	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<2>,1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CC){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	119.6680	0.692	4	120.0519	0.843	7	120.8815	1.749	360	120.9641	2.113	466	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|N<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CC){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	119.3550	0.000	1	120.0519	0.843	7	120.8815	1.749	360	120.9641	2.113	466	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|N<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CC){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	121.3340	0.000	1	120.0519	0.843	7	120.8815	1.749	360	120.9641	2.113	466	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CC){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	121.0020	0.000	1	120.0519	0.843	7	120.8815	1.749	360	120.9641	2.113	466	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<2>,1|C<3>,1|N<3>,1|O<2>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	121.1595	0.454	4	120.5216	1.738	43	120.8815	1.749	360	120.9641	2.113	466	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<2>,1|C<3>,1|N<3>,1|O<2>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	120.7350	0.000	1	120.5216	1.738	43	120.8815	1.749	360	120.9641	2.113	466	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<2>,1|C<3>,1|N<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|C<4>,2|C<3>,4|H<1>}	120.5842	0.513	4	120.5216	1.738	43	120.8815	1.749	360	120.9641	2.113	466	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<2>,1|C<3>,1|N<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|C<3>,2|C<4>,4|H<1>}	120.6060	0.000	1	120.5216	1.738	43	120.8815	1.749	360	120.9641	2.113	466	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	118.0990	0.000	1	120.5216	1.738	43	120.8815	1.749	360	120.9641	2.113	466	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,1|S<3>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|C<3>,1|C<4>,1|O<2>,1|S<3>,3|H<1>}	121.6860	0.000	1	120.5216	1.738	43	120.8815	1.749	360	120.9641	2.113	466	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	121.3893	0.323	6	120.5216	1.738	43	120.8815	1.749	360	120.9641	2.113	466	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	121.1825	0.127	2	120.5216	1.738	43	120.8815	1.749	360	120.9641	2.113	466	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	120.6980	0.768	4	120.5216	1.738	43	120.8815	1.749	360	120.9641	2.113	466	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	119.0840	0.000	1	120.5216	1.738	43	120.8815	1.749	360	120.9641	2.113	466	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|C<4>,2|C<3>,4|H<1>}	119.2264	1.912	8	120.5216	1.738	43	120.8815	1.749	360	120.9641	2.113	466	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|C<3>,2|C<4>,4|H<1>}	121.2523	0.225	4	120.5216	1.738	43	120.8815	1.749	360	120.9641	2.113	466	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<4>,1|O<2>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|H<1>,2|C<3>,3|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	121.7090	0.000	1	120.5216	1.738	43	120.8815	1.749	360	120.9641	2.113	466	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<4>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|C<3>,2|C<4>,5|H<1>}	121.6480	0.000	1	120.5216	1.738	43	120.8815	1.749	360	120.9641	2.113	466	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,2|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	120.3240	0.000	1	120.5216	1.738	43	120.8815	1.749	360	120.9641	2.113	466	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,2|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|C<4>,2|C<3>,4|H<1>}	121.4820	0.000	1	120.5216	1.738	43	120.8815	1.749	360	120.9641	2.113	466	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,2|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|Cl<1>,1|C<4>,2|C<3>,3|H<1>}	117.7710	0.000	1	120.5216	1.738	43	120.8815	1.749	360	120.9641	2.113	466	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,2|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|C<3>,2|C<4>,4|H<1>}	119.9950	0.000	1	120.5216	1.738	43	120.8815	1.749	360	120.9641	2.113	466	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|N<3>,1|O<2>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	119.9220	0.000	1	120.1145	2.605	24	120.8815	1.749	360	120.9641	2.113	466	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|N<3>,1|O<2>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	120.9155	1.542	2	120.1145	2.605	24	120.8815	1.749	360	120.9641	2.113	466	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|N<3>,1|O<2>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|C<3>,2|C<4>,4|H<1>}	119.6920	0.000	1	120.1145	2.605	24	120.8815	1.749	360	120.9641	2.113	466	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|N<3>,6|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|C<3>,1|C<4>,1|N<2>,4|H<1>}	118.6820	0.000	1	120.1145	2.605	24	120.8815	1.749	360	120.9641	2.113	466	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|N<3>,6|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|C<3>,1|C<4>,1|S<4>,4|H<1>}	120.7770	0.317	3	120.1145	2.605	24	120.8815	1.749	360	120.9641	2.113	466	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|N<3>,6|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|C<4>,2|C<3>,4|H<1>}	119.8766	2.675	8	120.1145	2.605	24	120.8815	1.749	360	120.9641	2.113	466	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|N<3>,6|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|C<3>,2|C<4>,4|H<1>}	119.7940	0.131	5	120.1145	2.605	24	120.8815	1.749	360	120.9641	2.113	466	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|N<4>,1|O<2>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	120.6705	0.074	2	120.1145	2.605	24	120.8815	1.749	360	120.9641	2.113	466	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|N<4>,6|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|C<3>,2|C<4>,5|H<1>}	120.9670	0.000	1	120.1145	2.605	24	120.8815	1.749	360	120.9641	2.113	466	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HN)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,2|N<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HN){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	120.6890	0.320	2	120.3330	0.431	3	120.8815	1.749	360	120.9641	2.113	466	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HN)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,2|N<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HN){1|C<4>,2|C<3>,4|H<1>}	119.6210	0.000	1	120.3330	0.431	3	120.8815	1.749	360	120.9641	2.113	466	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|N<3>,1|O<2>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HO){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	120.8300	0.000	1	119.2205	5.181	2	120.8815	1.749	360	120.9641	2.113	466	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|N<3>,2|O<2>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HO){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	117.6110	0.000	1	119.2205	5.181	2	120.8815	1.749	360	120.9641	2.113	466	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(C[6]N[6]HO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,2|N<3>,2|O<2>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(C[6]N[6]HO){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	119.9720	0.000	1	119.9720	0.000	1	120.8815	1.749	360	120.9641	2.113	466	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]N[6]CH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,2|O<2>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]N[6]CH){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	120.1345	0.893	2	120.1345	0.798	2	120.8815	1.749	360	120.9641	2.113	466	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HH){1|C<3>,1|C<4>,4|H<1>}	120.1173	0.463	6	120.1173	0.214	6	120.8815	1.749	360	120.9641	2.113	466	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,2|O<2>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HO){1|C<3>,1|C<4>,4|H<1>}	119.8183	0.216	4	119.8183	0.046	4	120.8815	1.749	360	120.9641	2.113	466	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(C[6]C[6]HH){1|C<3>,1|C<4>,6|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<2>,5|H<1>}	120.8680	0.000	1	120.5254	2.813	5	120.8815	1.749	360	120.9641	2.113	466	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(C[6]C[6]HH){1|C<3>,1|C<4>,6|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	121.3917	0.340	3	120.5254	2.813	5	120.8815	1.749	360	120.9641	2.113	466	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(C[6]C[6]HH){1|C<4>,2|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	117.5840	0.000	1	120.5254	2.813	5	120.8815	1.749	360	120.9641	2.113	466	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	122.5120	0.000	1	122.5130	0.000	2	120.8815	1.749	360	120.9641	2.113	466	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	122.5140	0.000	1	122.5130	0.000	2	120.8815	1.749	360	120.9641	2.113	466	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2{1|O<2>,2|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HO){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	121.3990	0.000	1	121.3990	0.000	1	120.8815	1.749	360	120.9641	2.113	466	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HO){1|C<4>,1|O<2>,3|C<3>,5|H<1>}	122.1480	0.000	1	122.1480	0.000	1	120.8815	1.749	360	120.9641	2.113	466	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH){1|C<2>,1|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2C){2|C<3>,2|C<4>,2|O<2>,5|H<1>}	121.8620	0.491	2	121.8620	0.241	2	120.8815	1.749	360	120.9641	2.113	466	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH){1|C<4>,2|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2H){1|C<4>,1|O<2>,3|C<3>,5|H<1>}	122.7700	0.000	1	122.7700	0.000	1	120.8815	1.749	360	120.9641	2.113	466	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|N<4>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<4>,1|O<2>,4|H<1>}	121.2330	0.000	1	121.2895	0.006	2	120.8815	1.749	360	120.9641	2.113	466	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH){1|C<4>,2|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	121.3460	0.000	1	121.2895	0.006	2	120.8815	1.749	360	120.9641	2.113	466	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	122.7700	0.000	1	122.7700	0.000	1	120.8815	1.749	360	120.9641	2.113	466	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]I)(C[6]C[6]2H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH){1|C<4>,1|I<1>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]I)(C[6]C[6]2H){1|C<4>,1|O<2>,3|C<3>,5|H<1>}	122.1570	0.000	1	122.1570	0.000	1	120.8815	1.749	360	120.9641	2.113	466	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]I)(C[6]C[6]HO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH){1|C<3>,1|C<4>,1|I<3>,1|O<2>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]I)(C[6]C[6]HO){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	122.3972	0.527	4	122.3972	0.277	4	120.8815	1.749	360	120.9641	2.113	466	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]O[6]CH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH){1|C<3>,2|C<4>,2|H<1>,3|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(H)2{1|C<4>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]O[6]CH){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.5260	0.000	1	120.5260	0.000	1	120.8815	1.749	360	120.9641	2.113	466	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]O[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(H)2{1|C<4>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]O[6]HH){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.0260	0.000	1	120.0260	0.000	1	120.8815	1.749	360	120.9641	2.113	466	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]P[5])(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]P[5])(C[6]C[6]HH){1|B<4>,1|C<4>,4|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|P<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH){1|C<4>,1|P<4>,3|C<3>,5|H<1>}	119.8760	0.000	1	119.8760	0.000	1	120.8815	1.749	360	120.9641	2.113	466	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]N[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]N[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<2>,5|H<1>}	121.8290	0.222	2	121.7913	0.029	3	120.8815	1.749	360	120.9641	2.113	466	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]N[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]N[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<2>,5|H<1>}	121.7160	0.000	1	121.7913	0.029	3	120.8815	1.749	360	120.9641	2.113	466	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]N[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]N[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<3>,1|N<2>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|N<2>,2|C<4>,5|H<1>}	121.4490	0.000	1	121.4490	0.000	1	120.8815	1.749	360	120.9641	2.113	466	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-4:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,6|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|N<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]HH){1|C<3>,1|C<4>,6|H<1>}	121.2745	0.494	2	121.2745	0.244	2	121.2745	0.244	2	120.9641	2.113	466	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:S[6]-4:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N[6]H)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]N[6]OO)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,2|O<1>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N[6]H)(H)2{1|S<4>,2|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]N[6]OO){1|C<3>,1|C<4>,5|H<1>}	123.8265	0.255	2	123.8265	0.065	2	123.4232	0.267	4	120.9641	2.113	466	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:S[6]-4:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]N[6]OO)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,2|C<3>,2|O<1>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H)2{1|S<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]N[6]OO){1|C<3>,1|C<4>,5|H<1>}	123.2250	0.000	1	123.2250	0.000	1	123.4232	0.267	4	120.9641	2.113	466	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:S[6]-4:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]O[6]NO)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|N<2>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(H)2{1|H<1>,1|S<4>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]O[6]NO){1|C<3>,1|C<4>,4|H<1>}	122.8150	0.000	1	122.8150	0.000	1	123.4232	0.267	4	120.9641	2.113	466	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:N[6a]-3:C[6]-4:	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[5a]C[6a])(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]C)(C[6]C[6]HH)	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[5a]C[6a])(C[6]C[6]HH){1|S<2>,2|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]C)(C[6]C[6]HH){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	120.5720	0.000	1	120.5720	0.000	1	121.6218	1.554	5	120.9641	2.113	466	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:N[6a]-3:C[6]-4:	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]C)(C[6]C[6]HH)	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH){1|Br<1>,2|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]C)(C[6]C[6]HH){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	121.4720	0.000	1	121.4720	0.000	1	121.6218	1.554	5	120.9641	2.113	466	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:N[6a]-3:C[6]-4:	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]H)(C[6]C[6]CH)	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH){1|C<2>,2|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]H)(C[6]C[6]CH){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	120.6940	0.000	1	120.6940	0.000	1	121.6218	1.554	5	120.9641	2.113	466	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:N[6a]-3:C[6]-4:	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]C)(C[6]C[6]HH)	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]HH){1|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]C)(C[6]C[6]HH){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	123.6770	0.000	1	123.6770	0.000	1	121.6218	1.554	5	120.9641	2.113	466	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:N[6a]-3:C[6]-4:	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]Cl)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]Cl)(C[6]C[6]HH){1|C<4>,2|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]H)(C[6]C[6]HH){1|Cl<1>,1|C<3>,1|C<4>,1|O<1>,4|H<1>}	121.6940	0.000	1	121.6940	0.000	1	121.6218	1.554	5	120.9641	2.113	466	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[5a]N[6a])(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6a,6a]C[6a,6a]2)(C[6,6a]C[6a]C[6])(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[5a]N[6a])(C[6]C[6]HH){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6,6a](C[6a,6a]C[6a,6a]2)(C[6,6a]C[6a]C[6])(C[6]C[6]HH){1|C<4>,1|N<2>,4|C<3>,4|H<1>}	122.0850	0.000	1	122.0850	0.000	1	121.2888	1.026	10	120.9641	2.113	466	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)2	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[6]CH)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[6]CH){2|C<4>,3|C<3>,5|H<1>}	121.4950	1.319	2	121.4950	1.741	2	121.2888	1.026	10	120.9641	2.113	466	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,2|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[6]HH){1|C<4>,3|C<3>,6|H<1>}	122.0520	0.000	1	122.0520	0.000	1	121.2888	1.026	10	120.9641	2.113	466	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HI)(H)2	C[6,6a](C[6a,6a]C[6a,6a]O[6a])(C[6,6a]C[6a]C[6])(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|I<1>,1|O<2>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HI)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6a,6a]C[6a,6a]O[6a])(C[6,6a]C[6a]C[6])(C[6]C[6]HH){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	119.5860	0.000	1	119.5860	0.000	1	121.2888	1.026	10	120.9641	2.113	466	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H)2	C[6,6a](C[6a,6a]C[6a,6a]O[6a])(C[6,6a]C[6a]C[6])(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H)2{1|C<4>,1|S<2>,2|C<3>,2|H<1>}	C[6,6a](C[6a,6a]C[6a,6a]O[6a])(C[6,6a]C[6a]C[6])(C[6]C[6]HH){1|C<4>,1|S<2>,3|C<3>,4|H<1>}	120.8110	0.383	2	120.8110	0.147	2	121.2888	1.026	10	120.9641	2.113	466	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HS)(H)2	C[6,6a](C[6a,6a]C[6a,6a]O[6a])(C[6,6a]C[6a]C[6])(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<2>,1|S<2>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HS)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6a,6a]C[6a,6a]O[6a])(C[6,6a]C[6a]C[6])(C[6]C[6]HH){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	120.8795	0.292	2	120.8795	0.085	2	121.2888	1.026	10	120.9641	2.113	466	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]N[6a])(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6a,6a]C[6a,6a]2)(C[6,6a]C[6a]C[6])(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]N[6a])(C[6]C[6]HH){1|C<4>,4|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6,6a](C[6a,6a]C[6a,6a]2)(C[6,6a]C[6a]C[6])(C[6]C[6]HH){1|C<4>,1|N<2>,4|C<3>,4|H<1>}	122.7940	0.000	1	122.7940	0.000	1	121.2888	1.026	10	120.9641	2.113	466	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6]HH){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[6]HH){1|C<4>,4|C<3>,5|H<1>}	122.6380	0.000	1	122.6380	0.000	1	122.6380	0.000	1	120.9641	2.113	466	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:O-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Br)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrH)(H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Br)(C[6]C[6]HO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Br)(C[6]C[6]HO){2|Br<1>,1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrH)(H)(O){2|Br<1>,1|C<4>,1|H<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Br)(C[6]C[6]HO){2|Br<1>,1|C<3>,1|C<4>,1|O<1>,3|H<1>}	122.6275	1.585	2	122.6275	2.511	2	120.2480	18.242	3	120.9641	2.113	466	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:O-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<3>,1|C<4>,6|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)(O){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<1>,5|H<1>}	115.4890	0.000	1	115.4890	0.000	1	120.2480	18.242	3	120.9641	2.113	466	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:O-1:	C[6,6a]-3:C[6a]-3:S[6]-4:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]N[6]OO)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|N<2>,2|C<3>,2|O<1>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H)(O){1|H<1>,1|S<4>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]N[6]OO){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	122.4650	0.000	1	123.4250	1.843	2	123.4250	1.843	2	120.9641	2.113	466	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:O-1:	C[6,6a]-3:C[6a]-3:S[6]-4:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]N[6]OO)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|N<3>,2|C<3>,2|O<1>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H)(O){1|S<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]N[6]OO){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	124.3850	0.000	1	123.4250	1.843	2	123.4250	1.843	2	120.9641	2.113	466	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5]C[6]H)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5]C[6]H)(H)2{2|C<4>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|N<4>,6|H<1>}	121.2880	0.000	1	121.2880	0.000	1	122.0177	0.937	10	120.9641	2.113	466	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]CC)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|C<3>,3|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]CC)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<4>,5|H<1>}	121.7100	0.000	1	121.7100	0.000	1	122.0177	0.937	10	120.9641	2.113	466	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]CH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]CH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<4>,2|C<3>,5|H<1>}	121.9380	0.000	1	121.9380	0.000	1	122.0177	0.937	10	120.9641	2.113	466	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|N<4>,1|O<2>,5|H<1>}	121.8160	0.622	2	121.8315	0.129	4	122.0177	0.937	10	120.9641	2.113	466	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<4>,1|O<2>,2|C<3>,4|H<1>}	121.8470	0.000	2	121.8315	0.129	4	122.0177	0.937	10	120.9641	2.113	466	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]PdC)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|Pd<4>,1|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]PdC)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|N<4>,6|H<1>}	120.6600	0.000	1	120.6600	0.000	1	122.0177	0.937	10	120.9641	2.113	466	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]CH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]N[6]HH){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]CH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<3>,1|N<4>,1|O<2>,5|H<1>}	123.2740	0.000	1	123.6275	0.250	2	122.0177	0.937	10	120.9641	2.113	466	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]CH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]N[6]HH){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]CH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<3>,1|N<4>,2|O<2>,4|H<1>}	123.9810	0.000	1	123.6275	0.250	2	122.0177	0.937	10	120.9641	2.113	466	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:N[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]C)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[5a]C[6a])(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]C)(C[6]C[6]HH){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[5a]C[6a])(C[6]C[6]HH){1|S<2>,2|C<4>,3|C<3>,4|H<1>}	123.4110	0.000	1	123.4110	0.000	1	123.3560	0.731	4	120.9641	2.113	466	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:N[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]C)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]C)(C[6]C[6]HH){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH){1|Br<1>,2|C<4>,3|C<3>,4|H<1>}	122.2660	0.000	1	122.2660	0.000	1	123.3560	0.731	4	120.9641	2.113	466	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:N[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]C)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]C)(C[6]C[6]HH){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]HH){1|C<3>,2|C<4>,5|H<1>}	124.3570	0.000	1	124.3570	0.000	1	123.3560	0.731	4	120.9641	2.113	466	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:N[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]Cl)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]H)(C[6]C[6]HH){1|Cl<1>,1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]Cl)(C[6]C[6]HH){1|C<4>,2|C<3>,5|H<1>}	123.3900	0.000	1	123.3900	0.000	1	123.3560	0.731	4	120.9641	2.113	466	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]C[6])(C[6]C[5,6]HH)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]N[5,6]C[5]H)(H)2	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]C[6])(C[6]N[5,6]HH)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]C[6])(C[6]C[5,6]HH){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]N[5,6]C[5]H)(H)2{2|H<1>,3|C<3>,3|C<4>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]C[6])(C[6]N[5,6]HH){2|C<4>,3|H<1>,4|C<3>}	120.7490	0.000	1	120.7490	0.000	1	120.7490	0.000	1	120.9641	2.113	466	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]C[6])(C[6]C[6,6]HH)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]N[6,6]C[6]H)(H)2	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]C[6])(C[6]N[6,6]HH)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]C[6])(C[6]C[6,6]HH){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]N[6,6]C[6]H)(H)2{2|H<1>,3|C<3>,3|C<4>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]C[6])(C[6]N[6,6]HH){2|C<4>,3|H<1>,4|C<3>}	120.0465	0.030	2	120.0465	0.001	2	120.0465	0.001	2	120.9641	2.113	466	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6,6a]C[6a]C[6])(C[6]C[6]HH)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6,6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6,6a]C[6a]C[6])(C[6]C[6]HH){1|N<2>,3|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|C<4>,2|C<3>,5|H<1>}	120.3790	0.000	1	120.5125	0.036	2	120.0983	6.855	14	120.9641	2.113	466	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6,6a]C[6a]C[6])(C[6]C[6]HH)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6,6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6,6a]C[6a]C[6])(C[6]C[6]HH){1|N<3>,3|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|C<4>,2|C<3>,5|H<1>}	120.6460	0.000	1	120.5125	0.036	2	120.0983	6.855	14	120.9641	2.113	466	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6a,6a]C[6a,6a]2)(C[6,6a]C[6a]C[6])(C[6]C[6]HH)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[5a]N[6a])(C[6]C[6]HH)	C[6,6a](C[6a,6a]C[6a,6a]2)(C[6,6a]C[6a]C[6])(C[6]C[6]HH){1|C<4>,1|N<2>,4|C<3>,4|H<1>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[5a]N[6a])(C[6]C[6]HH){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	119.1630	0.000	1	119.1630	0.000	1	120.0983	6.855	14	120.9641	2.113	466	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6a,6a]C[6a,6a]2)(C[6,6a]C[6a]C[6])(C[6]C[6]HH)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]N[6a])(C[6]C[6]HH)	C[6,6a](C[6a,6a]C[6a,6a]2)(C[6,6a]C[6a]C[6])(C[6]C[6]HH){1|C<4>,1|N<2>,4|C<3>,4|H<1>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]N[6a])(C[6]C[6]HH){1|C<4>,4|C<3>,4|H<1>}	117.4380	0.000	1	117.4380	0.000	1	120.0983	6.855	14	120.9641	2.113	466	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6a,6a]C[6a,6a]2)(C[6,6a]C[6a]C[6])(C[6]C[6]HH)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]N[6]HH)(H)2	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]N[6a])(C[6]N[6]HH)	C[6,6a](C[6a,6a]C[6a,6a]2)(C[6,6a]C[6a]C[6])(C[6]C[6]HH){1|N<2>,1|N<3>,4|C<3>,4|H<1>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]N[6]HH)(H)2{1|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]N[6a])(C[6]N[6]HH){1|C<4>,2|H<1>,5|C<3>}	115.1640	0.000	1	115.1640	0.000	1	120.0983	6.855	14	120.9641	2.113	466	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6a,6a]C[6a,6a]2)(C[6,6a]C[6a]C[6])(C[6]C[6]HH)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]S[6]HH)(H)2	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]N[6a])(C[6]S[6]HH)	C[6,6a](C[6a,6a]C[6a,6a]2)(C[6,6a]C[6a]C[6])(C[6]C[6]HH){1|N<2>,1|S<2>,4|C<3>,4|H<1>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]S[6]HH)(H)2{1|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]N[6a])(C[6]S[6]HH){1|C<4>,2|H<1>,4|C<3>}	114.7050	0.000	1	114.7050	0.000	1	120.0983	6.855	14	120.9641	2.113	466	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[6]HH)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[6]HH){1|C<4>,3|C<3>,6|H<1>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,2|C<3>,5|H<1>}	121.2840	0.000	1	121.2840	0.000	1	120.0983	6.855	14	120.9641	2.113	466	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[6]HH)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]N[6]HH)(H)2	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[6]HH){1|N<3>,3|C<3>,6|H<1>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]N[6]HH)(H)2{1|C<4>,1|S<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|C<2>,1|C<4>,1|S<4>,2|C<3>,2|H<1>}	120.4940	0.000	2	120.4940	0.000	2	120.0983	6.855	14	120.9641	2.113	466	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6a,6a]C[6a,6a]O[6a])(C[6,6a]C[6a]C[6])(C[6]C[6]HH)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HO)(H)2	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6a,6a]C[6a,6a]O[6a])(C[6,6a]C[6a]C[6])(C[6]C[6]HH){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HO)(H)2{1|C<4>,1|H<1>,1|I<1>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|I<1>,1|O<2>,4|H<1>}	123.0810	0.000	1	122.3083	0.450	3	120.0983	6.855	14	120.9641	2.113	466	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6a,6a]C[6a,6a]O[6a])(C[6,6a]C[6a]C[6])(C[6]C[6]HH)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HO)(H)2	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6a,6a]C[6a,6a]O[6a])(C[6,6a]C[6a]C[6])(C[6]C[6]HH){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HO)(H)2{1|C<4>,1|H<1>,1|O<2>,1|S<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<2>,1|S<2>,4|H<1>}	121.9220	0.069	2	122.3083	0.450	3	120.0983	6.855	14	120.9641	2.113	466	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6a,6a]C[6a,6a]O[6a])(C[6,6a]C[6a]C[6])(C[6]C[6]HH)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HS)(H)2	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6a,6a]C[6a,6a]O[6a])(C[6,6a]C[6a]C[6])(C[6]C[6]HH){1|C<4>,1|S<2>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HS)(H)2{1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	122.3420	0.058	2	122.3420	0.003	2	120.0983	6.855	14	120.9641	2.113	466	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6]HH)	C[6,6a](C[6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[6]HH){1|C<4>,4|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6]HH){1|C<4>,3|C<3>,4|H<1>}	119.5890	0.000	1	119.5890	0.000	1	119.1115	0.456	2	120.9641	2.113	466	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]O[6]CH)	C[6,6a](C[6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[6]HH){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]HH)(H)2{1|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]O[6]CH){1|C<4>,2|H<1>,3|C<3>}	118.6340	0.000	1	118.6340	0.000	1	119.1115	0.456	2	120.9641	2.113	466	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:4:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:N[6a]-2:	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]HH)(N[6a]C[6a])	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH){1|C<4>,3|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]HH)(N[6a]C[6a]){1|C<4>,3|C<3>,4|H<1>}	119.8090	0.000	1	119.8090	0.000	1	121.3912	2.677	13	121.5873	2.569	15	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:4:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:N[6a]-2:	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]HH)(N[6a]C[6a])	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<3>,1|N<2>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]HH)(N[6a]C[6a]){2|C<3>,2|C<4>,4|H<1>}	121.2990	0.000	1	121.2990	0.000	1	121.3912	2.677	13	121.5873	2.569	15	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:4:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:N[6a]-2:	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]2N)(N[6a]C[6a])	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]2N)(N[6a]C[6a]){1|Cl<1>,2|C<3>,2|C<4>,5|H<1>}	122.3940	0.000	1	122.3940	0.000	1	121.3912	2.677	13	121.5873	2.569	15	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:4:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:N[6a]-2:	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]HH)(N[6a]C[6a])	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]HH)(N[6a]C[6a]){1|C<3>,1|C<4>,1|N<2>,5|H<1>}	122.0755	0.144	2	122.0023	0.026	3	121.3912	2.677	13	121.5873	2.569	15	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:4:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:N[6a]-2:	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]HH)(N[6a]C[6a])	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]HH)(N[6a]C[6a]){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	121.8560	0.000	1	122.0023	0.026	3	121.3912	2.677	13	121.5873	2.569	15	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:4:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:N[6a]-2:	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]HN)(N[6a]C[6a])	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]HN)(N[6a]C[6a]){1|C<3>,1|C<4>,6|H<1>}	122.3290	0.000	1	122.3290	0.000	1	121.3912	2.677	13	121.5873	2.569	15	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:4:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:N[6a]-2:	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]HO)(N[6a]C[6a])	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]HO)(N[6a]C[6a]){1|C<4>,2|C<3>,5|H<1>}	121.6095	0.503	4	121.6095	0.253	4	121.3912	2.677	13	121.5873	2.569	15	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:4:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:N[6a]-2:	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CC)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[6]HH)(N[6a]C[6a])	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CC)(H)2{1|C<3>,1|H<1>,1|N<2>,2|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[6]HH)(N[6a]C[6a]){2|C<3>,2|C<4>,3|H<1>}	116.6500	0.000	1	116.6500	0.000	1	121.3912	2.677	13	121.5873	2.569	15	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:4:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:N[6a]-2:	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]N[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]HH)(N[6a]C[6a])	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]N[6a]H)(C[6]C[6]HH){1|C<2>,1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(H)2{1|C<3>,1|C<4>,3|H<1>,3|N<2>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]HH)(N[6a]C[6a]){1|C<4>,1|N<2>,1|N<3>,5|H<1>}	123.1590	0.000	1	123.1590	0.000	1	121.3912	2.677	13	121.5873	2.569	15	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:4:2:	C[6,6a]-3:N[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:N[6a]-2:	C[6,6a](C[6,6a]N[6a]C[6])(N[6a]C[6a]C)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]N[6a]C[6])(C[6]C[6]HH)(N[6a]C[6a])	C[6,6a](C[6,6a]N[6a]C[6])(N[6a]C[6a]C)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(H)2{1|C<3>,1|N<2>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]N[6a]C[6])(C[6]C[6]HH)(N[6a]C[6a]){1|C<3>,2|C<4>,5|H<1>}	122.8620	0.303	2	122.8620	0.092	2	122.8620	0.092	2	121.5873	2.569	15	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:4:3:	C[5,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:N[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6a]C[6])(C[6]N[6,6]HH)	C[6](C[6,6a]C[5,6a]C[6,6a])(N[6,6]C[6,6]C[6]C)(H)2	C[6,6a](C[6,6a]C[5,6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6,6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6a]C[6])(C[6]N[6,6]HH){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	C[6](C[6,6a]C[5,6a]C[6,6a])(N[6,6]C[6,6]C[6]C)(H)2{2|C<4>,2|H<1>,2|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[5,6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|N<4>,2|C<3>,2|O<2>,3|H<1>}	123.0910	0.000	1	123.0910	0.000	1	123.0910	0.000	1	120.8111	2.486	169	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:4:3:	C[5a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6]C[6a])(C[6]C[6]HH)	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6,6]HH)(H)2	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6,6]C[6,6]C[6]C)(C[6a]C[6a]H)	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6]C[6a])(C[6]C[6]HH){1|C<3>,1|N<2>,1|S<2>,3|C<4>,3|H<1>}	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6,6]HH)(H)2{1|H<1>,1|N<2>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6,6]C[6,6]C[6]C)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|N<2>,3|C<4>,5|H<1>}	123.4150	0.000	1	123.4150	0.000	1	123.4150	0.000	1	120.8111	2.486	169	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6,6a]C[6,6a]C[6])(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]2)(C[6]C[5,6]HH)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6])(C[5,6]C[5,6]O[5]H)(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6,6a]C[6,6a]C[6])(C[6]C[6]HH){1|C<3>,2|O<2>,3|C<4>,5|H<1>}	C[6](C[6,6a]C[6,6a]2)(C[6]C[5,6]HH)(H)2{2|C<3>,4|C<4>}	C[6,6a](C[6,6a]C[6,6a]C[6])(C[5,6]C[5,6]O[5]H)(C[6a]C[6a]O){1|C<3>,3|H<1>,5|C<4>}	119.3800	0.331	2	119.3800	0.110	2	119.3800	0.110	2	120.8111	2.486	169	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[5,6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]C[6]H)(C[6a]C[5,6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[5,6]HH){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2{1|C<4>,2|O<2>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]C[6]H)(C[6a]C[5,6a]H){1|C<2>,1|C<4>,2|O<2>,3|C<3>,3|H<1>}	121.5170	0.000	1	121.5170	0.000	1	121.5170	0.000	1	120.8111	2.486	169	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[4,6]-4:C[6,6a]-3:	C[6,6a](C[6,6a]C[5a,6a]C[4,6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[4,6]CH)(H)2	C[6,6a](C[5a,6a]C[5a,6a]C[5,5a])(C[4,6]C[4,6]C[4]H)(C[6,6a]C[6a]C[6])	C[6,6a](C[6,6a]C[5a,6a]C[4,6])(C[6a]C[6a]H)(C[6]C[6]HH){2|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[4,6]CH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[5a,6a]C[5a,6a]C[5,5a])(C[4,6]C[4,6]C[4]H)(C[6,6a]C[6a]C[6]){1|N<3>,2|C<3>,4|C<4>,5|H<1>}	118.6470	0.000	1	118.6470	0.000	1	119.4940	1.435	2	120.8111	2.486	169	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[4,6]-4:C[6,6a]-3:	C[6,6a](C[6,6a]C[5a,6a]C[4,6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[4,6]CH)(H)2	C[6,6a](C[5a,6a]C[5a,6a]C[5a])(C[4,6]C[4,6]C[4]O)(C[6,6a]C[6a]C[6])	C[6,6a](C[6,6a]C[5a,6a]C[4,6])(C[6a]C[6a]H)(C[6]C[6]HH){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[4,6]CH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[5a,6a]C[5a,6a]C[5a])(C[4,6]C[4,6]C[4]O)(C[6,6a]C[6a]C[6]){1|N<3>,2|C<3>,3|C<4>,6|H<1>}	120.3410	0.000	1	120.3410	0.000	1	119.4940	1.435	2	120.8111	2.486	169	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[3,6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[3,6]C[3]2C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,3|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[3,6]C[3]2C[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,9|H<1>}	121.4730	0.000	1	121.4730	0.000	1	121.4730	0.000	1	120.8111	2.486	169	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[4,6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]Br)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[4,6]C[4]2C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]Br)(C[6]C[6]HH){1|C<3>,3|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|Br<1>,1|C<4>,1|F<1>,1|H<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[4,6]C[4]2C[6])(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|F<1>,1|N<3>,2|C<4>,7|H<1>}	122.5420	0.000	1	122.5420	0.000	1	122.0840	0.420	2	120.8111	2.486	169	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[4,6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[4,6]C[4]2C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,3|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[4,6]C[4]2C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,9|H<1>}	121.6260	0.000	1	121.6260	0.000	1	122.0840	0.420	2	120.8111	2.486	169	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[5,6]C[5,6]2O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[5,6]C[5,6]2O)(C[6a]C[6a]H){1|C<3>,5|C<4>,5|H<1>}	120.6950	0.000	1	120.6950	0.000	1	121.9827	0.498	6	120.8111	2.486	169	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[5,6]C[5]2C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,3|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[5,6]C[5]2C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,9|H<1>}	122.5360	0.000	1	122.5360	0.000	1	121.9827	0.498	6	120.8111	2.486	169	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[5,6]C[6]N[5]2)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<2>,1|N<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[5,6]C[6]N[5]2)(C[6a]C[6a]H){1|C<4>,1|N<2>,3|C<3>,6|H<1>}	122.1050	0.000	1	122.1050	0.000	1	121.9827	0.498	6	120.8111	2.486	169	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[5,6]C[6]O[5]2)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[5,6]C[6]O[5]2)(C[6a]C[6a]H){1|Br<1>,1|C<3>,3|C<4>,5|H<1>}	121.6780	0.000	1	122.1867	0.194	3	121.9827	0.498	6	120.8111	2.486	169	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[5,6]C[6]O[5]2)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|I<1>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[5,6]C[6]O[5]2)(C[6a]C[6a]H){1|C<3>,1|I<1>,3|C<4>,5|H<1>}	122.4440	0.000	1	122.1867	0.194	3	121.9827	0.498	6	120.8111	2.486	169	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[5,6]C[6]O[5]2)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[5,6]C[6]O[5]2)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,3|C<4>,5|H<1>}	122.4380	0.000	1	122.1867	0.194	3	121.9827	0.498	6	120.8111	2.486	169	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5,6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6,6]C[6]2N[6])(C[6a]C[5,6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5,6a]H)(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6,6]C[6]2N[6])(C[6a]C[5,6a]H){1|Cl<1>,1|O<2>,2|C<3>,3|C<4>,5|H<1>}	121.0180	0.000	1	121.0180	0.000	1	121.0043	0.822	12	120.8111	2.486	169	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6,6]C[6]2S[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|S<2>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6,6]C[6]2S[6])(C[6a]C[6a]H){2|C<3>,3|C<4>,7|H<1>}	122.4750	0.000	1	122.4750	0.000	1	121.0043	0.822	12	120.8111	2.486	169	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6,6]C[6]3)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,3|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6,6]C[6]3)(C[6a]C[6a]H){1|C<3>,1|O<2>,3|C<4>,9|H<1>}	121.9390	0.000	1	121.9390	0.000	1	121.0043	0.822	12	120.8111	2.486	169	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6,6]C[6]S[6]2)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,2|S<2>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6,6]C[6]S[6]2)(C[6a]C[6a]H){1|C<3>,1|N<3>,3|C<4>,5|H<1>}	122.0670	0.000	1	122.0670	0.000	1	121.0043	0.822	12	120.8111	2.486	169	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6,6]N[6,6]2H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,2|N<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2{1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6,6]N[6,6]2H)(C[6a]C[6a]H){1|C<3>,1|S<4>,3|C<4>,4|H<1>}	121.1780	0.000	1	120.5691	0.480	8	121.0043	0.822	12	120.8111	2.486	169	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6,6]N[6,6]2H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,2|N<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6,6]N[6,6]2H)(C[6a]C[6a]H){2|C<3>,3|C<4>,4|H<1>}	120.0660	0.000	1	120.5691	0.480	8	121.0043	0.822	12	120.8111	2.486	169	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6,6]N[6,6]2H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,2|N<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6,6]N[6,6]2H)(C[6a]C[6a]H){1|C<3>,4|C<4>,4|H<1>}	120.5515	0.740	6	120.5691	0.480	8	121.0043	0.822	12	120.8111	2.486	169	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[5,6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[6]HH){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[5,6a]H){1|C<4>,1|O<2>,1|S<4>,3|C<3>,4|H<1>}	121.7080	0.000	2	121.7080	0.000	2	120.6008	2.629	125	120.8111	2.486	169	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5]N[6]H)(C[6a]C[5,6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5]N[6]H)(C[6a]C[5,6a]H){2|C<3>,2|C<4>,2|O<2>,4|H<1>}	121.1145	0.193	2	121.1145	0.037	2	120.6008	2.629	125	120.8111	2.486	169	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]N[6]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|C<1>,1|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]N[6]H)(C[6a]C[6a]H){1|C<1>,2|C<3>,3|C<4>,4|H<1>}	118.1060	1.544	2	118.3643	1.393	3	120.6008	2.629	125	120.8111	2.486	169	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]N[6]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{2|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]N[6]H)(C[6a]C[6a]H){2|C<3>,4|C<4>,4|H<1>}	118.8810	0.000	1	118.3643	1.393	3	120.6008	2.629	125	120.8111	2.486	169	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Br)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]C)(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Br)(C[6]C[6]HH){1|C<4>,2|H<1>,2|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|Br<1>,1|O<2>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]C)(C[6a]C[6a]O){1|Br<1>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	120.7270	0.000	1	120.7270	0.000	1	120.6008	2.629	125	120.8111	2.486	169	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]N[6a]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]HH){1|C<3>,1|H<1>,1|N<2>,1|O<2>,1|S<2>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO)(H)2{1|C<2>,1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]N[6a]C){1|C<2>,1|C<4>,3|H<1>,4|C<3>}	122.4185	0.151	4	122.4185	0.023	4	120.6008	2.629	125	120.8111	2.486	169	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HO)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<3>,3|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HO)(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	119.7157	3.027	3	119.7157	9.165	3	120.6008	2.629	125	120.8111	2.486	169	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]N[6]H)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]N[6]H)(H)2{1|C<4>,1|N<2>,1|S<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	121.0600	0.000	1	121.0600	0.000	1	120.6008	2.629	125	120.8111	2.486	169	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,2|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(H)2{1|C<4>,1|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	121.1140	0.000	1	121.1140	0.000	1	120.6008	2.629	125	120.8111	2.486	169	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]CO)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]CO)(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	122.1050	0.000	1	122.1050	0.000	1	120.6008	2.629	125	120.8111	2.486	169	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]C)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){2|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]C)(C[6a]C[6a]H){1|C<4>,3|C<3>,6|H<1>}	122.9910	0.000	1	122.9910	0.000	1	120.6008	2.629	125	120.8111	2.486	169	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]MoH)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|Mo<7>,1|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2{1|Mo<7>,1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]MoH)(C[6a]C[6a]H){1|C<3>,1|C<4>,5|H<1>}	120.0890	0.000	1	120.0890	0.000	1	120.6008	2.629	125	120.8111	2.486	169	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]B[5]2C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,2|B<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]B[5]2C[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,4|O<2>,6|H<1>}	121.9420	0.000	1	121.9420	0.000	1	120.6008	2.629	125	120.8111	2.486	169	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]ClH)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|Cl<1>,1|C<3>,1|C<4>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]ClH)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	121.4700	0.000	1	121.5580	0.015	2	120.6008	2.629	125	120.8111	2.486	169	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]ClH)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|Cl<1>,1|C<3>,1|C<4>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]ClH)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|C<4>,5|H<1>}	121.6460	0.000	1	121.5580	0.015	2	120.6008	2.629	125	120.8111	2.486	169	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]N[5]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]N[5]H)(C[6a]C[6a]H){1|C<4>,1|P<2>,2|C<3>,6|H<1>}	122.0160	0.072	2	121.9922	0.145	9	120.6008	2.629	125	120.8111	2.486	169	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]N[5]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]N[5]H)(C[6a]C[6a]H){1|C<4>,3|C<3>,6|H<1>}	121.8844	0.394	5	121.9922	0.145	9	120.6008	2.629	125	120.8111	2.486	169	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]N[5]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]N[5]H)(C[6a]C[6a]H){2|C<4>,3|C<3>,5|H<1>}	121.8200	0.000	1	121.9922	0.145	9	120.6008	2.629	125	120.8111	2.486	169	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]N[5]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<4>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]N[5]H)(C[6a]C[6a]H){1|C<3>,3|C<4>,7|H<1>}	122.6560	0.000	1	121.9922	0.145	9	120.6008	2.629	125	120.8111	2.486	169	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]2C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,2|C<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]2C[6])(C[6a]C[6a]H){1|C<4>,2|C<2>,4|H<1>,5|C<3>}	121.4240	0.000	1	121.4240	0.000	1	120.6008	2.629	125	120.8111	2.486	169	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,2|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<4>,4|C<3>,5|H<1>}	120.3500	0.000	1	120.3500	0.000	1	120.6008	2.629	125	120.8111	2.486	169	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5a]C[6]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5a]C[6]H)(C[6a]C[6a]H){1|C<4>,3|C<3>,6|H<1>}	122.1665	0.105	2	122.3037	0.062	3	120.6008	2.629	125	120.8111	2.486	169	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5a]C[6]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5a]C[6]H)(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|N<2>,2|C<3>,5|H<1>}	122.5780	0.000	1	122.3037	0.062	3	120.6008	2.629	125	120.8111	2.486	169	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[6,6]C[6]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[6,6]C[6]H)(C[6a]C[6a]H){1|C<3>,1|P<3>,2|C<4>,6|H<1>}	121.9280	0.000	1	121.9280	0.000	1	120.6008	2.629	125	120.8111	2.486	169	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]ClH)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|Cl<1>,1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H)2{1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]ClH)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|C<4>,5|H<1>}	122.5840	0.000	1	122.5840	0.000	1	120.6008	2.629	125	120.8111	2.486	169	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]N[6]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H)2{1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]N[6]H)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,6|H<1>}	121.4250	0.438	2	121.4250	0.192	2	120.6008	2.629	125	120.8111	2.486	169	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	121.4690	0.349	2	121.5166	0.393	11	120.6008	2.629	125	120.8111	2.486	169	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	121.5795	0.344	2	121.5166	0.393	11	120.6008	2.629	125	120.8111	2.486	169	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	121.8905	0.391	4	121.5166	0.393	11	120.6008	2.629	125	120.8111	2.486	169	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	121.0080	0.971	3	121.5166	0.393	11	120.6008	2.629	125	120.8111	2.486	169	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5]N[6]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5]N[6]H)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|O<2>,4|H<1>}	121.4040	0.602	2	121.3318	0.132	6	120.6008	2.629	125	120.8111	2.486	169	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5]N[6]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5]N[6]H)(C[6a]C[6a]H){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	121.5440	0.156	2	121.3318	0.132	6	120.6008	2.629	125	120.8111	2.486	169	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5]N[6]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5]N[6]H)(C[6a]C[6a]H){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	120.9710	0.000	1	121.3318	0.132	6	120.6008	2.629	125	120.8111	2.486	169	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5]N[6]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5]N[6]H)(C[6a]C[6a]H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	121.1240	0.000	1	121.3318	0.132	6	120.6008	2.629	125	120.8111	2.486	169	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a]N[6]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a]N[6]H)(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,1|O<2>,2|C<4>,3|H<1>}	119.9100	0.000	1	120.6497	0.381	8	120.6008	2.629	125	120.8111	2.486	169	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a]N[6]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,2|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a]N[6]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<2>,4|H<1>}	120.6690	0.000	1	120.6497	0.381	8	120.6008	2.629	125	120.8111	2.486	169	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a]N[6]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,2|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a]N[6]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<2>,2|N<3>,4|H<1>}	120.9390	0.000	1	120.6497	0.381	8	120.6008	2.629	125	120.8111	2.486	169	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a]N[6]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,2|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a]N[6]H)(C[6a]C[6a]H){1|C<4>,1|S<4>,3|C<3>,4|H<1>}	121.4490	0.198	2	120.6497	0.381	8	120.6008	2.629	125	120.8111	2.486	169	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a]N[6]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,2|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a]N[6]H)(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	120.4535	0.202	2	120.6497	0.381	8	120.6008	2.629	125	120.8111	2.486	169	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a]N[6]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,2|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a]N[6]H)(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,2|C<4>,4|H<1>}	119.8750	0.000	1	120.6497	0.381	8	120.6008	2.629	125	120.8111	2.486	169	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]N[6]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]N[6]H)(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	119.0390	3.561	2	119.4868	3.622	5	120.6008	2.629	125	120.8111	2.486	169	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]N[6]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]N[6]H)(C[6a]C[6a]H){2|C<4>,3|C<3>,5|H<1>}	120.6570	0.000	1	119.4868	3.622	5	120.6008	2.629	125	120.8111	2.486	169	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]N[6]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]N[6]H)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,5|H<1>}	119.3495	0.019	2	119.4868	3.622	5	120.6008	2.629	125	120.8111	2.486	169	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6]C)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6]C)(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	119.6260	0.000	1	119.6260	0.000	1	120.6008	2.629	125	120.8111	2.486	169	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	121.3160	0.000	1	119.7315	2.761	36	120.6008	2.629	125	120.8111	2.486	169	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	119.4287	1.799	27	119.7315	2.761	36	120.6008	2.629	125	120.8111	2.486	169	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	120.7900	0.000	1	119.7315	2.761	36	120.6008	2.629	125	120.8111	2.486	169	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	120.2330	0.444	2	119.7315	2.761	36	120.6008	2.629	125	120.8111	2.486	169	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,2|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	120.2260	0.262	3	119.7315	2.761	36	120.6008	2.629	125	120.8111	2.486	169	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,2|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H){1|C<4>,3|C<3>,5|H<1>}	120.9590	0.000	1	119.7315	2.761	36	120.6008	2.629	125	120.8111	2.486	169	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<4>,2|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H){1|C<4>,3|C<3>,6|H<1>}	121.5500	0.000	1	119.7315	2.761	36	120.6008	2.629	125	120.8111	2.486	169	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5a]N[6]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,2|N<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5a]N[6]H)(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	120.7150	0.000	1	120.5465	0.057	2	120.6008	2.629	125	120.8111	2.486	169	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5a]N[6]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,2|N<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5a]N[6]H)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|C<4>,4|H<1>}	120.3780	0.000	1	120.5465	0.057	2	120.6008	2.629	125	120.8111	2.486	169	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5]O[6]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5]O[6]H)(C[6a]C[6a]H){1|Fe<10>,1|C<3>,3|C<4>,4|H<1>}	120.3820	0.000	1	120.3820	0.000	1	120.6008	2.629	125	120.8111	2.486	169	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a]O[6]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|O<2>,2|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a]O[6]H)(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|N<2>,2|C<3>,3|H<1>}	120.7780	0.000	1	120.7780	0.000	1	120.6008	2.629	125	120.8111	2.486	169	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]O[6]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|O<2>,2|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]O[6]H)(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	120.2888	0.288	4	120.5951	0.401	7	120.6008	2.629	125	120.8111	2.486	169	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]O[6]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){2|C<3>,2|O<2>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]O[6]H)(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	121.0037	0.800	3	120.5951	0.401	7	120.6008	2.629	125	120.8111	2.486	169	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5a]O[6]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|N<3>,1|O<2>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5a]O[6]H)(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,4|H<1>}	120.4190	0.000	1	120.4190	0.000	1	120.6008	2.629	125	120.8111	2.486	169	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]CH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HO)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(C[6]C[6]HH){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]CH)(H)2{1|C<4>,1|N<3>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HO)(C[6a]C[6a]H){1|C<4>,2|H<1>,2|N<3>,3|C<3>}	116.5607	0.623	3	116.5607	0.388	3	120.6008	2.629	125	120.8111	2.486	169	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HO)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|O<2>,2|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HO)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	122.2110	0.000	1	122.2110	0.000	1	120.6008	2.629	125	120.8111	2.486	169	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]N[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]N[6a]H)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,6|H<1>}	122.4280	0.000	1	122.4280	0.000	1	120.6008	2.629	125	120.8111	2.486	169	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6a,6a]-3:C[6,6]-4:C[6,6a]-3:	C[6,6a](C[6,6a]C[6a,6a]C[6,6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CC)(H)2	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])	C[6,6a](C[6,6a]C[6a,6a]C[6,6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CC)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6]){2|C<4>,4|C<3>,6|H<1>}	122.5940	0.000	1	122.5940	0.000	1	122.5940	0.000	1	120.8111	2.486	169	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:P[6]-4:H-1:H-1:	C[6,6a]-3:B[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]B[6])(C[6a]C[6a]H)(C[6]P[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(P[6]B[6]C[6]2)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(B[6]B[6]BrP)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]B[6])(C[6a]C[6a]H)(C[6]P[6]HH){1|Br<1>,1|B<4>,1|C<3>,1|P<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(P[6]B[6]C[6]2)(H)2{1|B<4>,1|P<4>,2|C<3>,4|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(B[6]B[6]BrP)(C[6a]C[6a]H){1|C<3>,2|P<4>,5|H<1>}	120.7320	0.000	1	121.3505	0.765	2	121.3505	0.765	2	120.8111	2.486	169	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:P[6]-4:H-1:H-1:	C[6,6a]-3:B[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]B[6])(C[6a]C[6a]H)(C[6]P[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(P[6]B[6]C[6]2)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(B[6]B[6]BrP)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]B[6])(C[6a]C[6a]H)(C[6]P[6]HH){1|Br<1>,1|B<4>,1|C<3>,1|P<4>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(P[6]B[6]C[6]2)(H)2{1|B<4>,1|P<3>,2|C<3>,4|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(B[6]B[6]BrP)(C[6a]C[6a]H){1|C<3>,1|P<3>,1|P<4>,5|H<1>}	121.9690	0.000	1	121.3505	0.765	2	121.3505	0.765	2	120.8111	2.486	169	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:4:3:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[3,6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]O[6a])(C[6,6a]C[6a]C[6])(C[6]C[3,6]HH)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[3,6]C[3,6]N[3]H)(H)2	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6]C[3,6]HH)(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]O[6a])(C[6,6a]C[6a]C[6])(C[6]C[3,6]HH){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[3,6]C[3,6]N[3]H)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6]C[3,6]HH)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	123.0940	0.000	1	123.0940	0.000	1	123.1385	0.004	2	120.8111	2.486	169	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:4:3:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[3,6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]O[6a])(C[6,6a]C[6a]C[6])(C[6]C[3,6]HH)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[3,6]C[3,6]O[3]H)(H)2	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6]C[3,6]HH)(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]O[6a])(C[6,6a]C[6a]C[6])(C[6]C[3,6]HH){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[3,6]C[3,6]O[3]H)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6]C[3,6]HH)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	123.1830	0.000	1	123.1830	0.000	1	123.1385	0.004	2	120.8111	2.486	169	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:4:3:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]O[6a])(C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]O[6]H)(H)2	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]O[6a])(C[6,6a]C[6a]C[6])(C[6]C[6,6]HH){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]O[6]H)(H)2{1|C<4>,1|H<1>,2|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	121.8050	0.000	1	121.8050	0.000	1	121.8050	0.000	1	120.8111	2.486	169	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:4:3:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[5,6]C[6a])(C[6]C[6]HH)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[5,6]HH)(H)2	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[5,6]C[6a])(C[6]C[6]HH){2|C<4>,3|C<3>,5|H<1>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[5,6]HH)(H)2{2|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]H){3|C<3>,3|C<4>,5|H<1>}	122.5690	0.000	1	121.5870	1.929	2	121.5870	1.929	2	120.8111	2.486	169	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:4:3:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[5,6]C[6a])(C[6]C[6]HH)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[5,6]HH)(H)2	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[5,6]C[6a])(C[6]C[6]HH){2|C<4>,3|C<3>,5|H<1>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[5,6]HH)(H)2{3|C<3>,3|C<4>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]H){2|C<3>,4|C<4>,5|H<1>}	120.6050	0.000	1	121.5870	1.929	2	121.5870	1.929	2	120.8111	2.486	169	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:4:3:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6]C[6a])(C[6]C[6]HH)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6]HH)(H)2	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6,6]C[6,6]C[6]C)(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6]C[6a])(C[6]C[6]HH){3|C<3>,3|C<4>,4|H<1>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6,6]C[6,6]C[6]C)(C[6a]C[6a]H){2|C<3>,3|C<4>,6|H<1>}	121.8276	0.394	7	121.8276	0.155	7	121.8276	0.155	7	120.8111	2.486	169	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:4:3:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[6]HH)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]O[6]CC)(H)2	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6]C[6a]O[6]H)(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[6]HH){1|O<2>,2|H<1>,3|C<4>,4|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]O[6]CC)(H)2{1|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6]C[6a]O[6]H)(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	117.2700	0.000	1	117.2700	0.000	1	117.2700	0.000	1	120.8111	2.486	169	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	4:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6,6a]-3:N[6a]-2:	C[6,6a](C[6,6a]C[5,6,6]N[6a])(C[6a]C[6a]N[6a])(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,5,6,6]CC)(H)2	C[6,6a](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6,6a]C[6a]C[6])(N[6a]C[6a])	C[6,6a](C[6,6a]C[5,6,6]N[6a])(C[6a]C[6a]N[6a])(C[6]C[6]HH){1|H<1>,3|C<3>,4|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,5,6,6]CC)(H)2{1|C<3>,2|N<2>,3|C<4>}	C[6,6a](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6,6a]C[6a]C[6])(N[6a]C[6a]){1|C<3>,1|N<2>,1|N<3>,2|H<1>,6|C<4>}	121.4690	0.000	1	121.4690	0.000	1	121.4690	0.000	1	120.5624	2.070	5	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	4:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6a]-3:N[6a]-2:	C[6,6a](C[6,6a]C[5,6]N[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]C[6])(N[6a]C[6a])	C[6,6a](C[6,6a]C[5,6]N[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,1|O<2>,2|H<1>}	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]C[6])(N[6a]C[6a]){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	119.3710	1.830	2	120.3358	2.418	4	120.3358	2.418	4	120.5624	2.070	5	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	4:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6a]-3:N[6a]-2:	C[6,6a](C[6,6a]C[5,6]N[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]C[6])(N[6a]C[6a])	C[6,6a](C[6,6a]C[5,6]N[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,1|O<2>,2|H<1>}	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]C[6])(N[6a]C[6a]){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	121.3005	0.426	2	120.3358	2.418	4	120.3358	2.418	4	120.5624	2.070	5	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	4:3:3:	C[5a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[4x6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[5a,6a]C[5a,6a]O[5a])(C[6,6a]C[4x6]C[6a])(C[6]C[5,6]HH)	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[5,6]C[5,3x6]O[5]H)(H)2	C[6,6a](C[4x6]C[5,3x6]C[6,6]2)(C[6,6a]C[5a,6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[5a,6a]C[5a,6a]O[5a])(C[6,6a]C[4x6]C[6a])(C[6]C[5,6]HH){1|O<2>,2|H<1>,3|C<3>,3|C<4>}	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[5,6]C[5,3x6]O[5]H)(H)2{1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[6,6a](C[4x6]C[5,3x6]C[6,6]2)(C[6,6a]C[5a,6a]C[6])(C[6a]C[6a]H){1|C<3>,3|C<4>,3|O<2>,7|H<1>}	123.1505	0.282	2	123.1505	0.080	2	123.1505	0.080	2	121.4352	1.679	536	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	4:3:3:	C[5a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[5a,6a]C[5a,6a]O[5a])(C[6,6a]C[5,6,6]C[6a])(C[6]C[5,6]HH)	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[5,6]C[5,5,6]O[5]H)(H)2	C[6,6a](C[5,6,6]C[5,5,6]C[5,6]C[6])(C[6,6a]C[5a,6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[5a,6a]C[5a,6a]O[5a])(C[6,6a]C[5,6,6]C[6a])(C[6]C[5,6]HH){1|O<2>,2|H<1>,3|C<3>,3|C<4>}	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[5,6]C[5,5,6]O[5]H)(H)2{1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[6,6a](C[5,6,6]C[5,5,6]C[5,6]C[6])(C[6,6a]C[5a,6a]C[6])(C[6a]C[6a]H){1|C<3>,3|C<4>,3|O<2>,7|H<1>}	124.0980	0.000	1	124.0980	0.000	1	124.0980	0.000	1	121.4352	1.679	536	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[5,6]-4:F-1:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[5,6]FH)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(F)(H)	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[5,6]FH){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(F)(H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H){1|C<4>,1|F<1>,1|O<2>,3|H<1>,4|C<3>}	123.6100	0.000	1	123.6100	0.000	1	123.6100	0.000	1	121.4352	1.679	536	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[5,6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[5,6]HH){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2{1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H){1|C<4>,2|O<2>,3|C<3>,4|H<1>}	121.9660	0.000	1	122.4130	0.367	3	122.2445	0.359	4	121.4352	1.679	536	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[5,6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[5,6]HH){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2{1|C<4>,2|O<2>,3|C<3>,3|H<1>}	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H){1|C<4>,2|O<2>,3|H<1>,4|C<3>}	123.1030	0.000	1	122.4130	0.367	3	122.2445	0.359	4	121.4352	1.679	536	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[5,6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[5,6]HH){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2{2|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	122.1700	0.000	1	122.4130	0.367	3	122.2445	0.359	4	121.4352	1.679	536	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[5,6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[5,6]HH){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2{1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]O){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	121.7390	0.000	1	121.7390	0.000	1	122.2445	0.359	4	121.4352	1.679	536	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[3x6]C[6a])(C[6a]C[6a]C[6])(C[6]C[6,6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]N[6]H)(H)2	C[6,6a](C[3x6]C[3x6]C[6]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[3x6]C[6a])(C[6a]C[6a]C[6])(C[6]C[6,6]HH){1|N<3>,1|O<2>,2|H<1>,3|C<3>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]N[6]H)(H)2{1|H<1>,3|C<4>,4|C<3>}	C[6,6a](C[3x6]C[3x6]C[6]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|O<2>,2|C<4>,4|C<3>,7|H<1>}	120.7060	0.000	1	120.7060	0.000	1	120.7060	0.000	1	121.4352	1.679	536	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]Br)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]HH)(H)2	C[6,6a](C[3,6]C[3,6]C[3]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]Br)(C[6]C[6]HH){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]HH)(H)2{1|Br<1>,1|H<1>,2|C<3>,2|C<4>}	C[6,6a](C[3,6]C[3,6]C[3]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|Br<1>,1|C<4>,2|C<3>,5|H<1>}	119.8960	0.000	1	119.8960	0.000	1	119.6288	0.225	13	121.4352	1.679	536	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]CH)(H)2	C[6,6a](C[3,6]C[3,6]C[3]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,3|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]CH)(H)2{1|H<1>,2|C<4>,3|C<3>}	C[6,6a](C[3,6]C[3,6]C[3]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,5|H<1>}	119.5410	0.000	1	119.5410	0.000	1	119.6288	0.225	13	121.4352	1.679	536	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]HH)(H)2	C[6,6a](C[3,6]C[3,6]C[3]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[3,6]C[3,6]C[3]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,2|C<3>,6|H<1>}	119.6730	0.000	1	119.5402	0.275	6	119.6288	0.225	13	121.4352	1.679	536	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]HH)(H)2	C[6,6a](C[3,6]C[3,6]C[3]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]HH)(H)2{1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6,6a](C[3,6]C[3,6]C[3]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|Cl<1>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	118.9480	0.365	2	119.5402	0.275	6	119.6288	0.225	13	121.4352	1.679	536	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]HH)(H)2	C[6,6a](C[3,6]C[3,6]C[3]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]HH)(H)2{1|H<1>,2|C<3>,3|C<4>}	C[6,6a](C[3,6]C[3,6]C[3]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,5|H<1>}	119.6150	0.000	1	119.5402	0.275	6	119.6288	0.225	13	121.4352	1.679	536	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]HH)(H)2	C[6,6a](C[3,6]C[3,6]C[3]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[3,6]C[3,6]C[3]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,2|C<3>,6|H<1>}	120.0285	0.206	2	119.5402	0.275	6	119.6288	0.225	13	121.4352	1.679	536	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]HH)(H)2	C[6,6a](C[3,6]C[3,6]C[3]N[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[3,6]C[3,6]C[3]N[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,2|F<1>,3|C<4>,5|H<1>}	120.1080	0.000	1	119.5687	0.423	3	119.6288	0.225	13	121.4352	1.679	536	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]HH)(H)2	C[6,6a](C[3,6]C[3,6]C[3]N[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[3,6]C[3,6]C[3]N[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|Cl<1>,1|C<3>,3|C<4>,5|H<1>}	118.8460	0.000	1	119.5687	0.423	3	119.6288	0.225	13	121.4352	1.679	536	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]HH)(H)2	C[6,6a](C[3,6]C[3,6]C[3]N[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|N<4>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[3,6]C[3,6]C[3]N[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,2|F<1>,3|C<4>,6|H<1>}	119.7520	0.000	1	119.5687	0.423	3	119.6288	0.225	13	121.4352	1.679	536	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]HH)(H)2	C[6,6a](C[3,6]C[3,6]N[3]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[3,6]C[3,6]N[3]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|S<4>,5|H<1>}	119.8955	0.441	2	119.8955	0.194	2	119.6288	0.225	13	121.4352	1.679	536	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[4,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[4,6]HH)(H)2	C[6,6a](C[4,6]N[4,6]C[4]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[4,6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[4,6]N[4,6]C[4]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	122.3670	0.000	1	122.3670	0.000	1	122.3670	0.000	1	121.4352	1.679	536	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[4x6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[4x6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3x6]HH)(H)2	C[6,6a](C[4x6]C[3x6]N[6,6]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[4x6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,2|N<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3x6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[4x6]C[3x6]N[6,6]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<4>,3|C<3>,7|H<1>}	122.3695	0.402	2	122.3695	0.162	2	122.3695	0.162	2	121.4352	1.679	536	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,5,6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,5,6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6,6]HH)(H)2	C[6,6a](C[5,5,6,6]C[5,6,6]C[5,5]C[5,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,5,6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[5,5,6,6]C[5,6,6]C[5,5]C[5,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<2>,2|C<3>,3|C<4>,7|H<1>}	121.5490	0.000	1	121.5490	0.000	1	121.5490	0.000	1	121.4352	1.679	536	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,5,6]C[6a])(C[6a]C[5,6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2	C[6,6a](C[5,5,6]C[5,5]N[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)	C[6,6a](C[6,6a]C[5,5,6]C[6a])(C[6a]C[5,6a]H)(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2{1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6,6a](C[5,5,6]C[5,5]N[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H){1|C<3>,1|O<1>,1|O<2>,2|N<2>,3|C<4>,4|H<1>}	121.5530	0.000	1	121.5530	0.000	1	120.9240	0.310	8	121.4352	1.679	536	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,5,6]HH)(H)2	C[6,6a](C[5,5,6]C[5,5,6]C[5]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,3|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,5,6]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	C[6,6a](C[5,5,6]C[5,5,6]C[5]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,2|O<2>,3|C<4>,7|H<1>}	120.9080	0.000	1	120.9080	0.000	1	120.9240	0.310	8	121.4352	1.679	536	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,5,6]HH)(H)2	C[6,6a](C[5,5,6]C[5,5,6]C[5]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,5,6]HH)(H)2{1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6,6a](C[5,5,6]C[5,5,6]C[5]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|N<3>,1|O<2>,2|C<3>,3|C<4>,7|H<1>}	120.3727	0.395	3	120.5667	0.255	4	120.9240	0.310	8	121.4352	1.679	536	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,5,6]HH)(H)2	C[6,6a](C[5,5,6]C[5,5,6]C[5]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,5,6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6,6a](C[5,5,6]C[5,5,6]C[5]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){2|C<3>,2|O<2>,3|C<4>,7|H<1>}	121.1490	0.000	1	120.5667	0.255	4	120.9240	0.310	8	121.4352	1.679	536	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,5,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,5,6]HH)(H)2	C[6,6a](C[5,5,6]C[5,5,6]C[5]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[5,5,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]HH){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,5,6]HH)(H)2{1|O<2>,2|C<4>,3|C<3>}	C[6,6a](C[5,5,6]C[5,5,6]C[5]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){2|C<3>,3|C<4>,3|O<2>,6|H<1>}	121.3320	0.413	2	121.3320	0.171	2	120.9240	0.310	8	121.4352	1.679	536	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6a]C[5a,6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6,6a](C[5,6,6]C[5,6]C[6,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[5a,6a]H)	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6a]C[5a,6a]H)(C[6]C[6]HH){1|C<3>,1|N<3>,3|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|H<1>,2|C<3>,3|C<4>}	C[6,6a](C[5,6,6]C[5,6]C[6,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[5a,6a]H){1|O<2>,2|C<3>,5|C<4>,6|H<1>}	121.7930	0.000	1	121.7930	0.000	1	120.9038	4.851	16	121.4352	1.679	536	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6,6]HH)(H)2	C[6,6a](C[5,6,6]C[5,6,6]C[6]N[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|N<3>,3|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6,6]HH)(H)2{1|H<1>,2|C<3>,3|C<4>}	C[6,6a](C[5,6,6]C[5,6,6]C[6]N[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|S<4>,5|C<4>,6|H<1>}	122.3280	0.000	1	122.3280	0.000	1	120.9038	4.851	16	121.4352	1.679	536	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	C[6,6a](C[5,6,6]C[5,6]O[5,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[5,6,6]C[5,6]O[5,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|O<1>,4|C<4>,5|H<1>}	120.7660	0.000	1	120.5985	0.056	2	120.9038	4.851	16	121.4352	1.679	536	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	C[6,6a](C[5,6,6]C[5,6]O[5,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[5,6,6]C[5,6]O[5,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|C<4>,5|H<1>}	120.4310	0.000	1	120.5985	0.056	2	120.9038	4.851	16	121.4352	1.679	536	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6,6a](C[5,6,6]C[5,6]C[6,6]N[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[5,6,6]C[5,6]C[6,6]N[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){3|C<3>,4|C<4>,6|H<1>}	121.5550	0.000	1	121.5550	0.000	1	120.9038	4.851	16	121.4352	1.679	536	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[5,6,6]C[5,5,6]O[5,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[5,6,6]C[5,5,6]O[5,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,2|C<4>,3|C<3>,5|H<1>}	123.9210	0.000	1	123.9210	0.000	1	120.9038	4.851	16	121.4352	1.679	536	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2	C[6,6a](C[5,6,6]C[5,6]N[5,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|N<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[5,6,6]C[5,6]N[5,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,4|C<4>,6|H<1>}	122.3110	2.153	3	120.5863	6.618	9	120.9038	4.851	16	121.4352	1.679	536	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2	C[6,6a](C[5,6,6]C[5,6]N[5,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|N<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[5,6,6]C[5,6]N[5,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,3|C<3>,3|C<4>,6|H<1>}	121.9375	0.301	2	120.5863	6.618	9	120.9038	4.851	16	121.4352	1.679	536	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2	C[6,6a](C[5,6,6]C[5,6]N[5,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6,6a](C[5,6,6]C[5,6]N[5,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,3|C<3>,3|C<4>,5|H<1>}	117.4953	0.445	3	120.5863	6.618	9	120.9038	4.851	16	121.4352	1.679	536	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2	C[6,6a](C[5,6,6]C[5,6]N[5,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6,6a](C[5,6,6]C[5,6]N[5,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){3|C<3>,3|C<4>,5|H<1>}	121.9830	0.000	1	120.5863	6.618	9	120.9038	4.851	16	121.4352	1.679	536	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]CH)(H)2	C[6,6a](C[5,6,6]C[5,6]N[6,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|N<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]CH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[5,6,6]C[5,6]N[6,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,4|C<4>,6|H<1>}	118.3890	0.000	1	118.3890	0.000	1	120.9038	4.851	16	121.4352	1.679	536	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	C[6,6a](C[5,6]C[5,6]C[5]Fe)(C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])	C[6,6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(C[6]C[6]HH){1|Fe<10>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{1|Fe<10>,1|H<1>,2|C<3>,2|C<4>}	C[6,6a](C[5,6]C[5,6]C[5]Fe)(C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6]){1|O<1>,3|C<3>,3|C<4>,4|H<1>}	121.7380	0.000	1	121.7380	0.000	1	121.7380	0.000	1	121.4352	1.679	536	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[5,6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	C[6,6a](C[5,6]C[5,6]C[5]C)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[5,6a]H)(C[6]C[6]HH){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[5,6]C[5,6]C[5]C)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	120.8210	0.000	1	120.8210	0.000	1	121.2005	2.074	127	121.4352	1.679	536	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]C)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,5,6]HH)(H)2	C[6,6a](C[5,6]C[5,5,6]C[5]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]C)(C[6]C[6]HH){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,5,6]HH)(H)2{3|C<3>,3|C<4>}	C[6,6a](C[5,6]C[5,5,6]C[5]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,4|C<4>,5|H<1>}	120.3730	0.000	1	120.3730	0.000	1	121.2005	2.074	127	121.4352	1.679	536	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]C)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	C[6,6a](C[5,6]C[5,6a]C[5,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]C)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]C)(C[6]C[6]HH){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	C[6,6a](C[5,6]C[5,6a]C[5,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]C){2|C<4>,4|C<3>,4|H<1>}	117.8920	0.000	1	117.8920	0.000	1	121.2005	2.074	127	121.4352	1.679	536	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]Cl)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2	C[6,6a](C[5,6]C[5,5]N[5,6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]Cl)(C[6]C[6]HH){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2{1|Cl<1>,1|C<4>,3|C<3>}	C[6,6a](C[5,6]C[5,5]N[5,6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|Cl<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	122.6690	0.607	2	122.6690	0.368	2	121.2005	2.074	127	121.4352	1.679	536	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(H)2	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(H)2{1|C<4>,1|H<1>,6|C<3>}	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,4|H<1>}	120.9780	0.000	1	120.9780	0.000	1	121.2005	2.074	127	121.4352	1.679	536	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	C[6,6a](C[5,6]C[5,5]C[5,6]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[5,6]C[5,5]C[5,6]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|N<2>,3|C<4>,6|H<1>}	122.9290	0.000	1	122.9290	0.000	1	121.2005	2.074	127	121.4352	1.679	536	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	C[6,6a](C[5,6]C[5,6]C[5]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[5,6]C[5,6]C[5]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|N<3>,3|C<4>,6|H<1>}	121.3210	0.000	1	121.8460	0.322	3	121.2005	2.074	127	121.4352	1.679	536	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	C[6,6a](C[5,6]C[5,6]C[5]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,3|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{1|C<2>,1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6,6a](C[5,6]C[5,6]C[5]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<2>,1|C<3>,1|N<3>,2|C<4>,6|H<1>}	121.7690	0.000	1	121.8460	0.322	3	121.2005	2.074	127	121.4352	1.679	536	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	C[6,6a](C[5,6]C[5,6]C[5]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[5,6]C[5,6]C[5]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|O<1>,3|C<4>,5|H<1>}	122.4480	0.000	1	121.8460	0.322	3	121.2005	2.074	127	121.4352	1.679	536	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|Br<1>,1|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,6|H<1>}	121.1530	0.000	1	121.3068	0.129	8	121.2005	2.074	127	121.4352	1.679	536	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,2|O<2>,3|C<3>,5|H<1>}	121.4910	0.000	1	121.3068	0.129	8	121.2005	2.074	127	121.4352	1.679	536	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	121.4295	0.008	2	121.3068	0.129	8	121.2005	2.074	127	121.4352	1.679	536	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,2|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,5|H<1>}	121.9770	0.000	1	121.3068	0.129	8	121.2005	2.074	127	121.4352	1.679	536	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,2|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,5|H<1>}	120.7840	0.000	1	121.3068	0.129	8	121.2005	2.074	127	121.4352	1.679	536	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|Cl<1>,1|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,6|H<1>}	121.1320	0.000	1	121.3068	0.129	8	121.2005	2.074	127	121.4352	1.679	536	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,6|H<1>}	121.0580	0.000	1	121.3068	0.129	8	121.2005	2.074	127	121.4352	1.679	536	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	C[6,6a](C[5,6]C[5,6]C[5]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[5,6]C[5,6]C[5]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){3|C<3>,3|C<4>,5|H<1>}	121.3490	0.000	1	121.3490	0.000	1	121.2005	2.074	127	121.4352	1.679	536	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	C[6,6a](C[5,6]C[5,6]C[5]S)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|S<4>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[5,6]C[5,6]C[5]S)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|F<1>,1|N<3>,2|C<4>,6|H<1>}	119.8335	0.296	2	119.8335	0.088	2	121.2005	2.074	127	121.4352	1.679	536	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,4|C<3>,5|H<1>}	122.2330	0.000	1	122.7328	0.177	5	121.2005	2.074	127	121.4352	1.679	536	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<4>,3|C<3>,5|H<1>}	122.8577	0.363	4	122.7328	0.177	5	121.2005	2.074	127	121.4352	1.679	536	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	120.9870	0.000	1	121.0806	0.496	7	121.2005	2.074	127	121.4352	1.679	536	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|Br<1>,2|C<3>,2|C<4>,4|H<1>}	120.1870	0.000	1	121.0806	0.496	7	121.2005	2.074	127	121.4352	1.679	536	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|Cl<1>,2|C<3>,2|C<4>,4|H<1>}	121.7250	0.487	3	121.0806	0.496	7	121.2005	2.074	127	121.4352	1.679	536	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,5|H<1>}	120.6075	0.006	2	121.0806	0.496	7	121.2005	2.074	127	121.4352	1.679	536	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	C[6,6a](C[5,6]C[5,6]O[5]N)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[5,6]C[5,6]O[5]N)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	119.1170	0.000	1	119.1170	0.000	1	121.2005	2.074	127	121.4352	1.679	536	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	C[6,6a](C[5,6]C[5,6a]C[5,6]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[5,6]C[5,6a]C[5,6]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,5|H<1>,6|C<3>}	121.1027	1.289	3	121.1027	1.662	3	121.2005	2.074	127	121.4352	1.679	536	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	C[6,6a](C[5,6]C[5,6a]C[5,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,2|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{1|C<4>,1|H<1>,1|P<4>,3|C<3>}	C[6,6a](C[5,6]C[5,6a]C[5,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|P<4>,4|C<3>,4|H<1>}	116.9735	0.687	2	116.9735	0.471	2	121.2005	2.074	127	121.4352	1.679	536	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)2	C[6,6a](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,4|C<3>,7|H<1>}	122.3500	0.000	1	122.3500	0.000	1	121.2005	2.074	127	121.4352	1.679	536	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[5,6]C[5,5]C[5]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6,6a](C[5,6]C[5,5]C[5]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<3>,3|C<4>,6|H<1>}	120.8860	0.051	2	120.8860	0.003	2	121.2005	2.074	127	121.4352	1.679	536	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[5,6]C[5,6]C[5]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){4|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6,6a](C[5,6]C[5,6]C[5]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<2>,1|C<4>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	121.7320	0.000	1	121.7320	0.000	1	121.2005	2.074	127	121.4352	1.679	536	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]C)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){2|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]C){1|C<4>,1|N<2>,3|C<3>,7|H<1>}	123.0595	0.356	2	123.0595	0.127	2	121.2005	2.074	127	121.4352	1.679	536	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,6|H<1>}	122.0240	0.693	2	122.2777	0.298	4	121.2005	2.074	127	121.4352	1.679	536	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<2>,3|C<3>,7|H<1>}	122.8100	0.000	1	122.2777	0.298	4	121.2005	2.074	127	121.4352	1.679	536	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,8|H<1>}	122.2530	0.000	1	122.2777	0.298	4	121.2005	2.074	127	121.4352	1.679	536	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[5,6]C[5]C[6]O[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[5,6]C[5]C[6]O[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|Br<1>,2|C<3>,2|C<4>,7|H<1>}	122.1470	0.000	1	122.0585	0.016	2	121.2005	2.074	127	121.4352	1.679	536	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[5,6]C[5]C[6]O[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[5,6]C[5]C[6]O[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|Cl<1>,2|C<3>,2|C<4>,7|H<1>}	121.9700	0.000	1	122.0585	0.016	2	121.2005	2.074	127	121.4352	1.679	536	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[5,6]C[5]C[6]S[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|S<2>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[5,6]C[5]C[6]S[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,7|H<1>}	122.0020	0.000	1	122.0020	0.000	1	121.2005	2.074	127	121.4352	1.679	536	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]CC)(H)2	C[6,6a](C[5,6]C[5,6]N[5,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|N<3>,3|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]CC)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[5,6]C[5,6]N[5,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	119.8420	2.629	2	119.8420	6.912	2	121.2005	2.074	127	121.4352	1.679	536	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]CC)(H)2	C[6,6a](C[5,6]N[5,6]C[6a]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]CC)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[5,6]N[5,6]C[6a]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,2|C<4>,3|H<1>,5|C<3>}	117.0880	0.000	1	117.0880	0.000	1	121.2005	2.074	127	121.4352	1.679	536	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]CH)(H)2	C[6,6a](C[5,6]N[5,6]C[5]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|N<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]CH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[5,6]N[5,6]C[5]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	121.8040	0.129	2	121.5593	0.188	3	121.2005	2.074	127	121.4352	1.679	536	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]CH)(H)2	C[6,6a](C[5,6]N[5,6]C[5]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|N<3>,3|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]CH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[5,6]N[5,6]C[5]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,6|H<1>}	121.0700	0.000	1	121.5593	0.188	3	121.2005	2.074	127	121.4352	1.679	536	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]CH)(H)2	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|N<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]CH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	122.6770	0.000	1	122.2935	0.294	2	121.2005	2.074	127	121.4352	1.679	536	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]CH)(H)2	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]CH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,4|H<1>,5|C<3>}	121.9100	0.000	1	122.2935	0.294	2	121.2005	2.074	127	121.4352	1.679	536	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2	C[6,6a](C[5,6]C[5,5]N[5,6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|N<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[5,6]C[5,5]N[5,6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,2|O<2>,4|H<1>}	122.9550	0.000	1	122.4570	0.496	2	121.2005	2.074	127	121.4352	1.679	536	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2	C[6,6a](C[5,6]C[5,5]N[5,6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[5,6]C[5,5]N[5,6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|H<1>,5|C<3>}	121.9590	0.000	1	122.4570	0.496	2	121.2005	2.074	127	121.4352	1.679	536	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2	C[6,6a](C[5,6]C[5,5]N[5,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[5,6]C[5,5]N[5,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|H<1>,5|C<3>}	122.0425	0.194	2	121.5832	0.345	6	121.2005	2.074	127	121.4352	1.679	536	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2	C[6,6a](C[5,6]C[5,5]N[5,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[5,6]C[5,5]N[5,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	121.9490	0.000	1	121.5832	0.345	6	121.2005	2.074	127	121.4352	1.679	536	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2	C[6,6a](C[5,6]C[5,5]N[5,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6,6a](C[5,6]C[5,5]N[5,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,2|N<3>,4|H<1>}	120.5370	0.000	1	121.5832	0.345	6	121.2005	2.074	127	121.4352	1.679	536	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2	C[6,6a](C[5,6]C[5,5]N[5,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6,6a](C[5,6]C[5,5]N[5,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,4|C<4>,4|H<1>}	121.5190	0.000	1	121.5832	0.345	6	121.2005	2.074	127	121.4352	1.679	536	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2	C[6,6a](C[5,6]C[5,5]N[5,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6,6a](C[5,6]C[5,5]N[5,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){3|C<3>,3|C<4>,4|H<1>}	121.4090	0.000	1	121.5832	0.345	6	121.2005	2.074	127	121.4352	1.679	536	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2	C[6,6a](C[5,6]C[5,6]N[5,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[5,6]C[5,6]N[5,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	122.7565	0.045	2	121.7484	2.311	12	121.2005	2.074	127	121.4352	1.679	536	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2	C[6,6a](C[5,6]C[5,6]N[5,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[5,6]C[5,6]N[5,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,2|C<4>,3|H<1>,4|C<3>}	121.9155	0.962	2	121.7484	2.311	12	121.2005	2.074	127	121.4352	1.679	536	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2	C[6,6a](C[5,6]C[5,6]N[5,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[5,6]C[5,6]N[5,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,3|C<3>,3|C<4>,3|H<1>}	121.6500	0.332	3	121.7484	2.311	12	121.2005	2.074	127	121.4352	1.679	536	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2	C[6,6a](C[5,6]C[5,6]N[5,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6,6a](C[5,6]C[5,6]N[5,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,3|C<3>,3|C<4>,3|H<1>}	122.0800	0.000	1	121.7484	2.311	12	121.2005	2.074	127	121.4352	1.679	536	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2	C[6,6a](C[5,6]C[5,6]N[5,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[5,6]C[5,6]N[5,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	121.1517	2.622	4	121.7484	2.311	12	121.2005	2.074	127	121.4352	1.679	536	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2	C[6,6a](C[5,6]C[5,6a]N[5,6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[5,6]C[5,6a]N[5,6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	122.1840	0.000	1	122.1840	0.000	1	121.2005	2.074	127	121.4352	1.679	536	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2	C[6,6a](C[5,6]C[5,6a]N[5,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[5,6]C[5,6a]N[5,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|H<1>,6|C<3>}	123.3820	0.000	1	123.3820	0.000	1	121.2005	2.074	127	121.4352	1.679	536	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2	C[6,6a](C[5,6]C[5,6a]N[5,6]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|Br<1>,1|N<3>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[5,6]C[5,6a]N[5,6]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	121.6190	0.000	1	121.6672	5.636	5	121.2005	2.074	127	121.4352	1.679	536	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2	C[6,6a](C[5,6]C[5,6a]N[5,6]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[5,6]C[5,6a]N[5,6]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	122.7170	0.000	1	121.6672	5.636	5	121.2005	2.074	127	121.4352	1.679	536	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2	C[6,6a](C[5,6]C[5,6a]N[5,6]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,2|C<3>,2|O<2>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[5,6]C[5,6a]N[5,6]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	123.2080	0.137	2	121.6672	5.636	5	121.2005	2.074	127	121.4352	1.679	536	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2	C[6,6a](C[5,6]C[5,6a]N[5,6]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,2|C<3>,2|O<2>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[5,6]C[5,6a]N[5,6]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	117.5840	0.000	1	121.6672	5.636	5	121.2005	2.074	127	121.4352	1.679	536	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2	C[6,6a](C[5,6]C[5,6a]N[5,6]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,2|C<3>,2|H<1>,3|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[5,6]C[5,6a]N[5,6]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	122.4860	0.000	1	122.5260	0.003	2	121.2005	2.074	127	121.4352	1.679	536	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2	C[6,6a](C[5,6]C[5,6a]N[5,6]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,2|C<3>,2|H<1>,3|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[5,6]C[5,6a]N[5,6]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|C<4>,4|C<3>,4|H<1>}	122.5660	0.000	1	122.5260	0.003	2	121.2005	2.074	127	121.4352	1.679	536	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|Br<1>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<2>,1|C<3>,1|N<3>,2|C<4>,5|H<1>}	120.3830	0.000	1	120.5157	0.691	22	121.2005	2.074	127	121.4352	1.679	536	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|O<2>,1|S<4>,3|C<4>,4|H<1>}	122.0230	0.000	1	120.5157	0.691	22	121.2005	2.074	127	121.4352	1.679	536	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	121.6560	0.000	1	120.5157	0.691	22	121.2005	2.074	127	121.4352	1.679	536	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|N<3>,3|C<4>,4|H<1>}	119.9430	0.000	1	120.5157	0.691	22	121.2005	2.074	127	121.4352	1.679	536	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|Br<1>,1|N<3>,2|C<3>,2|C<4>,4|H<1>}	119.2380	0.000	2	120.5157	0.691	22	121.2005	2.074	127	121.4352	1.679	536	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<2>,1|C<3>,1|N<3>,2|C<4>,5|H<1>}	120.7060	0.000	1	120.5157	0.691	22	121.2005	2.074	127	121.4352	1.679	536	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|N<3>,3|C<4>,5|H<1>}	120.2680	0.074	2	120.5157	0.691	22	121.2005	2.074	127	121.4352	1.679	536	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	120.5173	0.367	3	120.5157	0.691	22	121.2005	2.074	127	121.4352	1.679	536	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,5|H<1>}	120.6410	1.143	2	120.5157	0.691	22	121.2005	2.074	127	121.4352	1.679	536	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|Br<1>,2|C<4>,3|C<3>,4|H<1>}	121.7380	0.000	1	120.5157	0.691	22	121.2005	2.074	127	121.4352	1.679	536	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,3|C<4>,6|H<1>}	119.4810	0.000	1	120.5157	0.691	22	121.2005	2.074	127	121.4352	1.679	536	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,3|C<4>,5|H<1>}	120.3683	0.678	3	120.5157	0.691	22	121.2005	2.074	127	121.4352	1.679	536	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<4>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,3|C<4>,6|H<1>}	120.2490	0.000	1	120.5157	0.691	22	121.2005	2.074	127	121.4352	1.679	536	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,2|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	120.3240	0.000	1	120.5157	0.691	22	121.2005	2.074	127	121.4352	1.679	536	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,2|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,5|H<1>}	121.8920	0.000	1	120.5157	0.691	22	121.2005	2.074	127	121.4352	1.679	536	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2	C[6,6a](C[5,6]N[5,6]C[6a]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6,6a](C[5,6]N[5,6]C[6a]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){3|C<4>,4|C<3>,5|H<1>}	119.9940	0.000	1	120.8585	1.495	2	121.2005	2.074	127	121.4352	1.679	536	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2	C[6,6a](C[5,6]N[5,6]C[6a]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[5,6]N[5,6]C[6a]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,4|H<1>,5|C<3>}	121.7230	0.000	1	120.8585	1.495	2	121.2005	2.074	127	121.4352	1.679	536	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2	C[6,6a](C[5,6]N[5,6]C[6a]N[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){2|C<3>,2|N<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6,6a](C[5,6]N[5,6]C[6a]N[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<4>,4|H<1>,5|C<3>}	121.9540	0.000	1	121.9540	0.000	1	121.2005	2.074	127	121.4352	1.679	536	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2	C[6,6a](C[5,6]N[5,6]N[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,2|N<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6,6a](C[5,6]N[5,6]N[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|S<4>,3|C<4>,4|H<1>}	121.1720	0.013	2	120.6643	0.773	3	121.2005	2.074	127	121.4352	1.679	536	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2	C[6,6a](C[5,6]N[5,6]N[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,2|N<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6,6a](C[5,6]N[5,6]N[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	119.6490	0.000	1	120.6643	0.773	3	121.2005	2.074	127	121.4352	1.679	536	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2	C[6,6a](C[5,6]N[5,6]O[5]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[5,6]N[5,6]O[5]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	117.4430	0.000	1	117.4430	0.000	1	121.2005	2.074	127	121.4352	1.679	536	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2	C[6,6a](C[5,6]N[5,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|Br<1>,1|C<3>,1|N<3>,1|O<2>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6,6a](C[5,6]N[5,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	119.5420	0.000	1	119.3857	0.112	3	121.2005	2.074	127	121.4352	1.679	536	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2	C[6,6a](C[5,6]N[5,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|N<3>,1|O<2>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6,6a](C[5,6]N[5,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	119.3075	0.432	2	119.3857	0.112	3	121.2005	2.074	127	121.4352	1.679	536	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2	C[6,6a](C[5,6]N[5,6]S[5]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,1|O<2>,1|S<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[5,6]N[5,6]S[5]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	121.7440	0.000	1	121.7440	0.000	1	121.2005	2.074	127	121.4352	1.679	536	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2	C[6,6a](C[5,6]N[5,6]S[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|N<3>,1|O<2>,1|S<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[5,6]N[5,6]S[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	120.2670	0.000	2	120.2670	0.000	2	121.2005	2.074	127	121.4352	1.679	536	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]HH){1|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,2|O<2>,3|C<3>,5|H<1>}	121.9420	0.000	1	121.9420	0.000	1	121.2005	2.074	127	121.4352	1.679	536	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2	C[6,6a](C[5,6]C[5,6a]N[5,6]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]HH){1|N<3>,2|C<3>,2|O<2>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2{1|C<4>,1|O<2>,3|C<3>}	C[6,6a](C[5,6]C[5,6a]N[5,6]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	122.5340	0.000	1	122.5340	0.000	1	121.2005	2.074	127	121.4352	1.679	536	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2	C[6,6a](C[5,6]C[5,6a]N[5,6]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]HH){1|N<3>,2|C<3>,2|O<2>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2{1|C<4>,1|O<2>,3|C<3>}	C[6,6a](C[5,6]C[5,6a]N[5,6]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	122.5780	0.000	1	122.5780	0.000	1	121.2005	2.074	127	121.4352	1.679	536	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5,6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HO)(H)2	C[6,6a](C[6,6]C[6,6]N[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5,6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,2|O<2>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HO)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6]C[6,6]N[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	120.5470	0.000	1	120.5470	0.000	1	121.5765	1.316	353	121.4352	1.679	536	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5,6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5,6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H){1|C<4>,1|O<2>,3|C<3>,5|H<1>}	119.6030	0.425	4	120.0823	0.364	8	121.5765	1.316	353	121.4352	1.679	536	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5,6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5,6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	120.4140	0.281	2	120.0823	0.364	8	121.5765	1.316	353	121.4352	1.679	536	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5,6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5,6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<4>,1|O<2>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	120.7090	0.047	2	120.0823	0.364	8	121.5765	1.316	353	121.4352	1.679	536	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5,6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2	C[6,6a](C[6,6]N[6,6]C[6]O)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5,6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<4>,2|O<2>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2{1|H<1>,2|C<3>,3|C<4>}	C[6,6a](C[6,6]N[6,6]C[6]O)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H){1|O<2>,2|C<3>,3|C<4>,5|H<1>}	121.9050	0.000	1	121.9050	0.000	1	121.5765	1.316	353	121.4352	1.679	536	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5a,6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[5a,6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5a,6a]H)(C[6]C[6]HH){2|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[5a,6a]H){1|N<3>,2|C<3>,2|C<4>,6|H<1>}	122.5245	0.083	2	122.5245	0.007	2	121.5765	1.316	353	121.4352	1.679	536	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5a,6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[5a,6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5a,6a]H)(C[6]C[6]HH){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[5a,6a]H){2|C<3>,3|C<4>,6|H<1>}	121.5050	0.000	1	121.5050	0.000	1	121.5765	1.316	353	121.4352	1.679	536	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]C)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]C)(C[6]C[6]HH){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|H<1>,2|C<3>,3|C<4>}	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|O<2>,4|C<4>,5|H<1>}	121.6193	0.295	3	120.9077	0.342	9	121.5765	1.316	353	121.4352	1.679	536	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]C)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]C)(C[6]C[6]HH){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|H<1>,2|C<3>,3|C<4>}	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,4|C<4>,6|H<1>}	120.5358	0.263	5	120.9077	0.342	9	121.5765	1.316	353	121.4352	1.679	536	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]C)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]C)(C[6]C[6]HH){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|H<1>,2|C<3>,3|C<4>}	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,3|C<4>,5|H<1>}	120.6320	0.000	1	120.9077	0.342	9	121.5765	1.316	353	121.4352	1.679	536	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]C)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]C)(C[6]C[6]HH){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<4>,3|C<3>,5|H<1>}	119.5380	0.000	1	119.5380	0.000	1	121.5765	1.316	353	121.4352	1.679	536	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]F)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2	C[6,6a](C[6,6]N[6,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]F)(C[6]C[6]HH){1|C<3>,1|N<3>,1|O<2>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2{1|C<4>,1|F<1>,1|N<3>,2|C<3>}	C[6,6a](C[6,6]N[6,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|F<1>,1|N<3>,2|C<4>,3|H<1>}	121.7345	1.972	2	121.7345	3.889	2	121.5765	1.316	353	121.4352	1.679	536	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6,6]HH)(H)2	C[6,6a](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6,6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6,6a](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	121.8360	0.000	1	121.8360	0.000	1	121.5765	1.316	353	121.4352	1.679	536	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6,6]HH)(H)2	C[6,6a](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6,6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6,6a](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	118.9585	0.226	2	118.9585	0.051	2	121.5765	1.316	353	121.4352	1.679	536	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CC)(H)2	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CC)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,6|H<1>}	122.1850	0.000	1	122.1850	0.000	1	121.5765	1.316	353	121.4352	1.679	536	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CH)(H)2	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,3|C<4>,7|H<1>}	116.7620	0.000	1	116.7620	0.000	1	121.5765	1.316	353	121.4352	1.679	536	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CH)(H)2	C[6,6a](C[6,6]C[6,6]C[6]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6]C[6,6]C[6]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,6|H<1>}	122.2530	0.195	2	122.2530	0.038	2	121.5765	1.316	353	121.4352	1.679	536	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6,6a](C[6,6]C[5,6]C[6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6,6a](C[6,6]C[5,6]C[6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,3|C<4>,5|H<1>}	120.5850	0.000	1	120.5850	0.000	1	121.5765	1.316	353	121.4352	1.679	536	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|Br<1>,1|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,3|C<4>,7|H<1>}	122.2788	0.790	4	122.1975	0.386	72	121.5765	1.316	353	121.4352	1.679	536	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,3|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<2>,1|C<3>,3|C<4>,6|H<1>}	121.8922	0.920	6	122.1975	0.386	72	121.5765	1.316	353	121.4352	1.679	536	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,3|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|N<3>,3|C<4>,6|H<1>}	121.5840	0.000	1	122.1975	0.386	72	121.5765	1.316	353	121.4352	1.679	536	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,3|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	122.1821	0.389	7	122.1975	0.386	72	121.5765	1.316	353	121.4352	1.679	536	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,3|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,3|C<4>,7|H<1>}	122.0786	0.363	14	122.1975	0.386	72	121.5765	1.316	353	121.4352	1.679	536	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,3|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|Cl<1>,1|C<3>,3|C<4>,6|H<1>}	122.2800	0.000	1	122.1975	0.386	72	121.5765	1.316	353	121.4352	1.679	536	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,3|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,7|H<1>}	123.0400	0.000	1	122.1975	0.386	72	121.5765	1.316	353	121.4352	1.679	536	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,3|H<1>,4|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|Br<1>,1|C<3>,3|C<4>,6|H<1>}	121.8250	0.000	1	122.1975	0.386	72	121.5765	1.316	353	121.4352	1.679	536	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,3|H<1>,4|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	122.4125	0.660	2	122.1975	0.386	72	121.5765	1.316	353	121.4352	1.679	536	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,3|H<1>,4|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,3|C<4>,7|H<1>}	122.2459	0.688	33	122.1975	0.386	72	121.5765	1.316	353	121.4352	1.679	536	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,3|H<1>,4|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|Cl<1>,1|C<3>,3|C<4>,6|H<1>}	122.9890	0.000	1	122.1975	0.386	72	121.5765	1.316	353	121.4352	1.679	536	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,3|H<1>,4|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,3|C<4>,6|H<1>}	122.7170	0.000	1	122.1975	0.386	72	121.5765	1.316	353	121.4352	1.679	536	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|C<3>,3|C<4>,7|H<1>}	122.4705	0.811	2	122.4705	0.658	2	121.5765	1.316	353	121.4352	1.679	536	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|I<1>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,3|C<4>,7|H<1>}	122.3170	0.000	1	121.9137	0.563	149	121.5765	1.316	353	121.4352	1.679	536	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,3|C<4>,7|H<1>}	121.1120	0.000	1	121.9137	0.563	149	121.5765	1.316	353	121.4352	1.679	536	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	122.5530	0.017	2	121.9137	0.563	149	121.5765	1.316	353	121.4352	1.679	536	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,3|C<4>,7|H<1>}	121.9079	0.782	131	121.9137	0.563	149	121.5765	1.316	353	121.4352	1.679	536	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,3|C<4>,6|H<1>}	122.0050	0.000	1	121.9137	0.563	149	121.5765	1.316	353	121.4352	1.679	536	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	121.4690	0.000	1	121.9137	0.563	149	121.5765	1.316	353	121.4352	1.679	536	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<4>,3|C<3>,6|H<1>}	122.3050	0.000	1	121.9137	0.563	149	121.5765	1.316	353	121.4352	1.679	536	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,3|C<4>,7|H<1>}	121.6243	0.208	6	121.9137	0.563	149	121.5765	1.316	353	121.4352	1.679	536	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,3|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,3|C<4>,7|H<1>}	122.1718	0.456	4	121.9137	0.563	149	121.5765	1.316	353	121.4352	1.679	536	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,3|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,4|C<4>,6|H<1>}	122.4570	0.000	1	121.9137	0.563	149	121.5765	1.316	353	121.4352	1.679	536	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6,6a](C[6,6]C[6,6]C[6]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6,6a](C[6,6]C[6,6]C[6]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	121.8670	0.000	1	121.8670	0.000	1	121.5765	1.316	353	121.4352	1.679	536	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6,6a](C[6,6]C[6,6]C[6]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6]C[6,6]C[6]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	122.1980	0.000	1	122.1980	0.000	1	121.5765	1.316	353	121.4352	1.679	536	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6,6a](C[6,6]C[6,6]N[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6]C[6,6]N[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,6|H<1>}	121.6715	0.117	2	121.6715	0.014	2	121.5765	1.316	353	121.4352	1.679	536	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6,6a](C[6,6]C[6,6]O[6]N)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6]C[6,6]O[6]N)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,5|H<1>}	122.3120	0.423	2	122.3120	0.179	2	121.5765	1.316	353	121.4352	1.679	536	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,2|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,4|C<3>,5|H<1>}	122.0100	0.000	1	122.0100	0.000	1	121.5765	1.316	353	121.4352	1.679	536	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HO)(H)2	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HO)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,3|C<4>,7|H<1>}	122.3107	0.150	3	122.3107	0.022	3	121.5765	1.316	353	121.4352	1.679	536	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]SS)(H)2	C[6,6a](C[6,6]C[6,6]C[6]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,1|O<2>,2|C<3>,2|H<1>,2|S<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]SS)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6]C[6,6]C[6]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,6|H<1>}	122.7600	0.000	1	122.7600	0.000	1	121.5765	1.316	353	121.4352	1.679	536	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6]C[5,6]C[6]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,3|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6]C[5,6]C[6]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,9|H<1>}	122.0420	0.000	2	122.0420	0.000	2	121.5765	1.316	353	121.4352	1.679	536	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]CH)(H)2	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|N<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]CH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	116.2590	0.000	1	116.2590	0.000	1	121.5765	1.316	353	121.4352	1.679	536	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2	C[6,6a](C[6,6]C[5,6]N[6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6]C[5,6]N[6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,2|C<4>,3|H<1>,4|C<3>}	118.5950	0.000	1	120.5333	2.872	6	121.5765	1.316	353	121.4352	1.679	536	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2	C[6,6a](C[6,6]C[5,6]N[6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6]C[5,6]N[6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<4>,3|C<3>,5|H<1>}	119.3335	0.206	2	120.5333	2.872	6	121.5765	1.316	353	121.4352	1.679	536	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2	C[6,6a](C[6,6]C[5,6]N[6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6,6a](C[6,6]C[5,6]N[6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){3|C<3>,3|C<4>,4|H<1>}	122.4510	0.273	2	120.5333	2.872	6	121.5765	1.316	353	121.4352	1.679	536	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2	C[6,6a](C[6,6]C[5,6]N[6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<4>,1|O<2>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6]C[5,6]N[6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,4|C<4>,6|H<1>}	121.0360	0.000	1	120.5333	2.872	6	121.5765	1.316	353	121.4352	1.679	536	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2	C[6,6a](C[6,6]C[5a,6]N[6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6,6a](C[6,6]C[5a,6]N[6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	121.0560	0.000	1	121.3935	0.228	2	121.5765	1.316	353	121.4352	1.679	536	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2	C[6,6a](C[6,6]C[5a,6]N[6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,2|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6]C[5a,6]N[6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|N<3>,3|C<3>,3|H<1>}	121.7310	0.000	1	121.3935	0.228	2	121.5765	1.316	353	121.4352	1.679	536	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2	C[6,6a](C[6,6]C[6,6]N[6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6]C[6,6]N[6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<4>,4|C<3>,4|H<1>}	118.4150	0.000	1	118.4150	0.000	1	121.5765	1.316	353	121.4352	1.679	536	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2{1|C<4>,1|H<1>,1|S<3>,2|C<3>}	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|O<2>,1|S<3>,2|C<4>,5|H<1>}	121.3980	0.000	1	120.5724	0.978	44	121.5765	1.316	353	121.4352	1.679	536	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2{1|C<4>,1|H<1>,1|S<3>,2|C<3>}	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|O<2>,1|S<3>,3|C<4>,4|H<1>}	121.2740	0.584	2	120.5724	0.978	44	121.5765	1.316	353	121.4352	1.679	536	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,5|H<1>}	121.7990	0.000	1	120.5724	0.978	44	121.5765	1.316	353	121.4352	1.679	536	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,5|H<1>}	120.7255	0.260	2	120.5724	0.978	44	121.5765	1.316	353	121.4352	1.679	536	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	120.6703	0.435	3	120.5724	0.978	44	121.5765	1.316	353	121.4352	1.679	536	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,2|O<2>,4|H<1>}	116.4540	0.000	1	120.5724	0.978	44	121.5765	1.316	353	121.4352	1.679	536	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	120.1690	0.448	9	120.5724	0.978	44	121.5765	1.316	353	121.4352	1.679	536	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	121.1588	0.340	5	120.5724	0.978	44	121.5765	1.316	353	121.4352	1.679	536	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|Br<1>,2|C<3>,2|C<4>,5|H<1>}	118.4920	0.000	1	120.5724	0.978	44	121.5765	1.316	353	121.4352	1.679	536	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,6|H<1>}	120.6915	0.402	4	120.5724	0.978	44	121.5765	1.316	353	121.4352	1.679	536	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,5|H<1>}	119.7755	1.111	2	120.5724	0.978	44	121.5765	1.316	353	121.4352	1.679	536	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	119.8030	0.000	1	120.5724	0.978	44	121.5765	1.316	353	121.4352	1.679	536	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	122.1700	0.000	1	120.5724	0.978	44	121.5765	1.316	353	121.4352	1.679	536	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,6|H<1>}	121.4890	0.000	1	120.5724	0.978	44	121.5765	1.316	353	121.4352	1.679	536	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<4>,3|C<3>,5|H<1>}	121.8060	0.000	1	120.5724	0.978	44	121.5765	1.316	353	121.4352	1.679	536	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<2>,2|C<3>,2|C<4>,5|H<1>}	121.1510	0.000	1	120.5724	0.978	44	121.5765	1.316	353	121.4352	1.679	536	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|N<3>,3|C<4>,5|H<1>}	120.7280	1.153	2	120.5724	0.978	44	121.5765	1.316	353	121.4352	1.679	536	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,3|C<4>,6|H<1>}	120.5880	0.000	1	120.5724	0.978	44	121.5765	1.316	353	121.4352	1.679	536	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|S<4>,2|C<3>,2|C<4>,5|H<1>}	120.5090	0.000	1	120.5724	0.978	44	121.5765	1.316	353	121.4352	1.679	536	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,6|H<1>}	120.2210	0.148	2	120.5724	0.978	44	121.5765	1.316	353	121.4352	1.679	536	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<4>,1|O<2>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	120.9930	0.776	2	120.5724	0.978	44	121.5765	1.316	353	121.4352	1.679	536	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,2|O<2>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){2|C<3>,2|C<4>,6|H<1>}	119.1160	0.247	3	119.1160	0.061	3	121.5765	1.316	353	121.4352	1.679	536	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2	C[6,6a](C[6,6]N[6,6]C[6a]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6]N[6,6]C[6a]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	120.5700	0.000	1	120.5700	0.000	1	121.5765	1.316	353	121.4352	1.679	536	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2	C[6,6a](C[6,6]N[6,6]N[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,2|N<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6,6a](C[6,6]N[6,6]N[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|S<4>,2|C<4>,4|H<1>}	118.9405	0.839	2	120.2733	2.183	9	121.5765	1.316	353	121.4352	1.679	536	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2	C[6,6a](C[6,6]N[6,6]N[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,2|N<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6]N[6,6]N[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	119.5155	2.092	2	120.2733	2.183	9	121.5765	1.316	353	121.4352	1.679	536	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2	C[6,6a](C[6,6]N[6,6]N[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,2|N<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6]N[6,6]N[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|S<4>,2|C<3>,5|H<1>}	119.6780	0.000	1	120.2733	2.183	9	121.5765	1.316	353	121.4352	1.679	536	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2	C[6,6a](C[6,6]N[6,6]N[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,2|N<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6]N[6,6]N[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,3|C<4>,4|H<1>}	120.6970	0.000	1	120.2733	2.183	9	121.5765	1.316	353	121.4352	1.679	536	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2	C[6,6a](C[6,6]N[6,6]N[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,2|N<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6]N[6,6]N[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	121.7243	0.645	3	120.2733	2.183	9	121.5765	1.316	353	121.4352	1.679	536	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2	C[6,6a](C[6,6]N[6,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|N<3>,1|O<2>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6,6a](C[6,6]N[6,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	120.2980	0.711	2	120.4417	0.240	4	121.5765	1.316	353	121.4352	1.679	536	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2	C[6,6a](C[6,6]N[6,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|N<3>,1|O<2>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6,6a](C[6,6]N[6,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	120.5855	0.364	2	120.4417	0.240	4	121.5765	1.316	353	121.4352	1.679	536	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2	C[6,6a](C[6,6]N[6,6]S[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|N<3>,1|O<2>,1|S<2>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6,6a](C[6,6]N[6,6]S[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	120.5885	0.470	2	120.5267	0.122	3	121.5765	1.316	353	121.4352	1.679	536	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2	C[6,6a](C[6,6]N[6,6]S[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|N<3>,1|S<2>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6,6a](C[6,6]N[6,6]S[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	120.4030	0.000	1	120.5267	0.122	3	121.5765	1.316	353	121.4352	1.679	536	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]N)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(H)2	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]N)(C[6]C[6]HH){1|Cl<1>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(H)2{1|C<4>,1|H<1>,1|N<3>,5|C<3>}	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,3|N<3>,4|H<1>}	122.4560	0.000	1	122.4560	0.000	1	121.5765	1.316	353	121.4352	1.679	536	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]N)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]N)(C[6]C[6]HH){1|C<3>,1|N<3>,3|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|N<3>,3|C<4>,5|H<1>}	122.5080	0.000	1	122.5080	0.000	1	121.5765	1.316	353	121.4352	1.679	536	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CO)(H)2	C[6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]HH){1|C<3>,2|C<4>,2|H<1>,3|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CO)(H)2{1|C<4>,1|O<2>,1|S<4>,3|C<3>}	C[6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,1|S<4>,3|C<3>,3|H<1>}	121.1300	0.000	1	121.1300	0.000	1	121.5765	1.316	353	121.4352	1.679	536	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]HH){1|C<3>,3|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	122.9800	0.313	2	122.8679	0.302	7	121.5765	1.316	353	121.4352	1.679	536	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]HH){1|C<3>,3|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	123.5310	0.058	2	122.8679	0.302	7	121.5765	1.316	353	121.4352	1.679	536	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]HH){1|C<3>,3|H<1>,4|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	122.3510	0.052	3	122.8679	0.302	7	121.5765	1.316	353	121.4352	1.679	536	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6]C[6a]C[5]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6]C[6a]C[5]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<2>,1|O<2>,3|C<3>,6|H<1>}	122.1750	0.000	1	122.1750	0.000	1	122.1750	0.000	1	121.4352	1.679	536	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:P[6]-4:H-1:H-1:	B[3,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]B[3,6]C[6a])(C[6a]C[6a]H)(C[6]P[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(P[6]B[3,6]C[6]2)(H)2	C[6,6a](B[3,6]B[3,6]C[5]P[3])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]B[3,6]C[6a])(C[6a]C[6a]H)(C[6]P[6]HH){1|B<4>,1|P<4>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(P[6]B[3,6]C[6]2)(H)2{1|B<4>,1|P<4>,2|C<3>,4|C<4>,4|H<1>}	C[6,6a](B[3,6]B[3,6]C[5]P[3])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|P<4>,2|N<3>,3|C<3>,5|H<1>}	123.3800	0.000	1	123.3800	0.000	1	123.3800	0.000	1	121.4352	1.679	536	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:P[6]-4:H-1:H-1:	B[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]B[6,6]C[6a])(C[6a]C[6a]H)(C[6]P[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(P[6]B[6,6]C[6]2)(H)2	C[6,6a](B[6,6]B[6,6]P[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]B[6,6]C[6a])(C[6a]C[6a]H)(C[6]P[6]HH){1|B<4>,1|C<3>,1|P<4>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(P[6]B[6,6]C[6]2)(H)2{1|B<4>,1|P<3>,3|C<3>,3|H<1>,4|C<4>}	C[6,6a](B[6,6]B[6,6]P[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|P<3>,1|P<4>,2|C<3>,3|C<4>,4|H<1>}	119.7460	0.000	1	119.7460	0.000	1	120.9955	3.123	2	121.4352	1.679	536	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:P[6]-4:H-1:H-1:	B[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]B[6,6]C[6a])(C[6a]C[6a]H)(C[6]P[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(P[6]B[6,6]C[6]2)(H)2	C[6,6a](B[6,6]B[6,6]P[6]P)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]B[6,6]C[6a])(C[6a]C[6a]H)(C[6]P[6]HH){1|B<4>,1|C<3>,1|P<3>,1|P<4>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(P[6]B[6,6]C[6]2)(H)2{1|B<4>,3|C<3>,4|C<4>,4|H<1>}	C[6,6a](B[6,6]B[6,6]P[6]P)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|P<4>,2|C<3>,3|C<4>,5|H<1>}	122.2450	0.000	1	122.2450	0.000	1	120.9955	3.123	2	121.4352	1.679	536	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	4:3:3:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]O[6]H)(H)2	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]O[6]H)(H)2{1|C<4>,1|H<1>,1|S<4>,4|C<3>}	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H){1|C<4>,1|S<4>,4|C<3>,4|H<1>}	121.6720	0.000	1	121.6720	0.000	1	121.6720	0.000	1	121.4352	1.679	536	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:2:1:	3:2:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:N[6a]-2:O[6]-2:	C[6,6a](C[6,6a]N[6a]O[6])(C[6a]C[6a,6a]O)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrH)(OC)(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(O[6]C[6])	C[6,6a](C[6,6a]N[6a]O[6])(C[6a]C[6a,6a]O)(C[6]C[6]HO){1|Br<1>,1|C<4>,1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrH)(OC)(H){1|C<3>,1|N<2>,2|C<4>,2|O<2>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(O[6]C[6]){1|H<1>,2|C<3>,2|O<2>,3|C<4>}	123.0720	0.000	1	123.0720	0.000	1	123.0720	0.000	1	122.2003	1.490	3	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:2:1:	3:2:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:N[6a]-2:S[6]-2:	C[6,6a](C[6,6a]N[6a]S[6])(C[6a]C[6a,6a]H)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(S[6]C[6])	C[6,6a](C[6,6a]N[6a]S[6])(C[6a]C[6a,6a]H)(C[6]C[6]HO){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(OH)(H){1|N<2>,1|S<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(S[6]C[6]){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	121.7645	1.357	2	121.7645	1.841	2	121.7645	1.841	2	122.2003	1.490	3	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:2:1:	3:2:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:O[6a]-2:C[6]-4:	C[6,6a](C[6,6a]O[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OC)(H)	C[6,6a](C[6,6a]C[6a]C[6])(O[6a]C[6a,6a])(C[6]C[6]HO)	C[6,6a](C[6,6a]O[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6]HO){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OC)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(O[6a]C[6a,6a])(C[6]C[6]HO){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	120.8910	0.113	2	120.8910	0.013	2	121.1077	0.147	3	121.1077	0.147	3	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:2:1:	3:2:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:O[6a]-2:C[6]-4:	C[6,6a](C[6,6a]O[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(O[6a]C[6a,6a])(C[6]C[6]HO)	C[6,6a](C[6,6a]O[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6]HO){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(O[6a]C[6a,6a])(C[6]C[6]HO){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	121.5410	0.000	1	121.5410	0.000	1	121.1077	0.147	3	121.1077	0.147	3	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:2:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:N-2:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HN)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(NN)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HN){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(NN)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|N<2>,3|C<4>,3|H<1>}	119.7500	0.000	1	119.7500	0.000	1	119.7500	0.000	1	120.3109	2.935	38	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:2:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrN)(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|Br<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrN)(OH)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	120.5680	0.000	1	120.5680	0.000	1	120.2531	1.851	14	120.3109	2.935	38	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:2:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|Br<1>,1|C<4>,1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(OH)(H){1|H<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	119.3760	0.280	2	119.3760	0.078	2	120.2531	1.851	14	120.3109	2.935	38	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:2:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(OC)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(OC)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	117.6330	0.000	1	117.6330	0.000	1	120.2531	1.851	14	120.3109	2.935	38	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:2:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OC)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OC)(H){1|H<1>,2|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	120.7865	1.080	2	120.6517	0.637	3	120.2531	1.851	14	120.3109	2.935	38	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:2:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OC)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OC)(H){1|O<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	120.3820	0.000	1	120.6517	0.637	3	120.2531	1.851	14	120.3109	2.935	38	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:2:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HO){2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OH)(H){1|H<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	117.5120	0.000	1	117.5120	0.000	1	120.2531	1.851	14	120.3109	2.935	38	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:2:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HS)(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<3>,1|C<4>,1|S<2>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HS)(OH)(H){1|H<1>,1|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	120.9830	0.455	2	121.0078	0.070	4	120.2531	1.851	14	120.3109	2.935	38	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:2:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HS)(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<3>,1|C<4>,1|S<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HS)(OH)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	121.0325	0.037	2	121.0078	0.070	4	120.2531	1.851	14	120.3109	2.935	38	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:2:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(OH)(H){1|H<1>,1|O<2>,2|F<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|O<2>,2|F<1>,3|H<1>}	121.1070	0.000	1	121.1070	0.000	1	120.2531	1.851	14	120.3109	2.935	38	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:2:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]HO){1|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(OH)(H){2|C<3>,2|H<1>,2|O<2>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,3|H<1>,3|O<2>}	121.9860	0.000	1	121.9860	0.000	1	120.2531	1.851	14	120.3109	2.935	38	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:2:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6])	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(OH)(H){1|C<4>,1|H<1>,1|S<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6]){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	118.6670	0.048	2	120.7912	6.128	4	120.6817	4.771	11	120.3109	2.935	38	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:2:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6])	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(OH)(H){1|S<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6]){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	123.3230	0.000	1	120.7912	6.128	4	120.6817	4.771	11	120.3109	2.935	38	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:2:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6])	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]HO){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(OH)(H){1|S<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6]){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	122.5080	0.000	1	120.7912	6.128	4	120.6817	4.771	11	120.3109	2.935	38	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:2:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6])	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]HO){2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OH)(H){1|H<1>,1|S<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6]){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	119.5975	1.722	4	119.5975	2.964	4	120.6817	4.771	11	120.3109	2.935	38	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:2:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6])	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(OH)(H){1|S<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6]){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	123.2985	0.449	2	123.2985	0.202	2	120.6817	4.771	11	120.3109	2.935	38	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:2:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]P[6])(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6])	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|P<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]P[6])(OH)(H){1|H<1>,1|O<1>,1|S<2>,2|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6]){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	119.3470	0.000	1	119.3470	0.000	1	120.6817	4.771	11	120.3109	2.935	38	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:2:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:S-2:H-1:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HS)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(SC)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HS){1|Br<1>,1|C<4>,1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(SC)(H){1|H<1>,1|N<2>,1|S<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|C<3>,1|C<4>,2|S<2>,3|H<1>}	116.9925	0.243	2	116.9925	0.059	2	116.9925	0.059	2	120.3109	2.935	38	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:2:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:S-2:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HS)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CN)(SC[6a])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HS){1|Br<1>,1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CN)(SC[6a])(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|S<2>,2|C<4>,4|H<1>}	120.2375	0.624	2	120.2375	0.390	2	120.2375	0.390	2	120.3109	2.935	38	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:2:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]Ga[6,6]CH)(OC)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]Ga[6,6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HO){1|Ga<5>,1|C<3>,1|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]Ga[6,6]CH)(OC)(H){1|H<1>,2|C<3>,2|N<3>,2|O<2>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]Ga[6,6]){1|C<3>,1|N<4>,2|N<3>,2|O<2>,3|H<1>}	119.4030	0.000	1	119.4030	0.000	1	119.4030	0.000	1	120.3109	2.935	38	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:2:1:	3:3:2:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-2:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]CH)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]CH)(CC)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]CH){1|C<4>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]CH)(CC)(H){1|O<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<2>,1|C<4>,2|C<3>,4|H<1>}	120.2193	0.569	3	120.2193	0.324	3	120.2193	0.324	3	120.3109	2.935	38	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:2:1:	3:3:2:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]HO)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]CH)(OH)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]C)(O[6]C[6])	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]HO){1|H<1>,1|O<1>,1|O<2>,2|C<4>,3|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]CH)(OH)(H){1|O<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]C)(O[6]C[6]){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	120.1100	0.000	1	120.1100	0.000	1	121.6250	1.349	4	120.3109	2.935	38	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:2:1:	3:3:2:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6a,6a]C[6a,6a]O[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]HO)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]BrH)(OC)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6a,6a]C[6a,6a]O[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]HO){1|Br<1>,1|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]BrH)(OC)(H){2|C<3>,2|C<4>,2|O<2>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,2|H<1>,2|O<2>,3|C<4>}	122.8410	0.000	1	122.8410	0.000	1	121.6250	1.349	4	120.3109	2.935	38	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:2:1:	3:3:2:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6a,6a]C[6a,6a]O[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]HO)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]BrH)(OH)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6a,6a]C[6a,6a]O[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]HO){1|Br<1>,1|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]BrH)(OH)(H){2|C<3>,2|C<4>,2|O<2>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,2|H<1>,2|O<2>,3|C<4>}	122.1120	0.000	1	122.1120	0.000	1	121.6250	1.349	4	120.3109	2.935	38	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:2:1:	3:3:2:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6a,6a]C[6a,6a]O[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]HO)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HO)(OC)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6a,6a]C[6a,6a]O[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]HO){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HO)(OC)(H){2|C<3>,2|C<4>,2|O<2>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,2|H<1>,2|O<2>,3|C<4>}	121.4370	0.000	1	121.4370	0.000	1	121.6250	1.349	4	120.3109	2.935	38	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:2:1:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]2)(C[6]O[6]CH)(OH)(H)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(C[6]O[6]O)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(C[6]C[6]HO){1|C<3>,1|O<1>,2|C<4>,3|H<1>,3|O<2>}	C[6](C[6,6a]C[6,6a]2)(C[6]O[6]CH)(OH)(H){1|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(C[6]O[6]O){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	116.5790	0.000	1	116.5790	0.000	1	116.5790	0.000	1	119.3630	5.292	92	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:2:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C-4:O[6]-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(CC[6a]CH)(O[6]C[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]CH){2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(CC[6a]CH)(O[6]C[6])(H){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	117.0350	0.950	2	117.0350	0.903	2	117.0350	0.903	2	119.3630	5.292	92	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:2:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[3,6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[3,6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]2O[3])(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[3,6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[3,6]HO){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]2O[3])(OH)(H){2|C<4>,3|C<3>,3|O<2>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[3,6]O){1|C<3>,1|C<4>,1|H<1>,5|O<2>}	124.3270	0.586	8	124.3270	0.344	8	124.3270	0.344	8	119.3630	5.292	92	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:2:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-2:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CN)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<4>,1|O<2>,1|S<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CN)(H){1|N<3>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){1|C<2>,1|C<3>,1|C<4>,1|O<2>,4|H<1>}	122.2390	0.000	1	121.9140	0.211	2	121.9140	0.211	2	119.3630	5.292	92	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:2:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-2:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CN)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<4>,1|S<4>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CN)(H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){1|C<2>,1|C<3>,2|C<4>,4|H<1>}	121.5890	0.000	1	121.9140	0.211	2	121.9140	0.211	2	119.3630	5.292	92	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:2:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:N-2:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]HN)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CO)(NC)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]HN){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CO)(NC)(H){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<2>,3|C<3>,4|H<1>}	118.5790	0.000	1	118.5790	0.000	1	118.0957	1.651	3	119.3630	5.292	92	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:2:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:N-2:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]HN)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HN)(NC[6a])(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]HN){1|N<2>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HN)(NC[6a])(H){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<2>,3|C<3>,4|H<1>}	117.8540	1.718	2	117.8540	2.952	2	118.0957	1.651	3	119.3630	5.292	92	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:2:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[5,6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HO)(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[5,6]C[5,6]2)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]HO){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HO)(OH)(H){1|H<1>,1|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[5,6]C[5,6]2)(C[6a]C[6a]H){2|C<4>,2|O<2>,3|C<3>,3|H<1>}	121.4960	0.000	1	121.4960	0.000	1	121.4960	0.000	1	119.3630	5.292	92	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:2:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CH)(OH)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]HO){3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CH)(OH)(H){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	117.4190	0.000	1	117.4190	0.000	1	117.8695	0.406	2	119.3630	5.292	92	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:2:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HN)(OH)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]HO){1|N<3>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HN)(OH)(H){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	118.3200	0.000	1	118.3200	0.000	1	117.8695	0.406	2	119.3630	5.292	92	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:2:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]HO)(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[3,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]HO)(OH)(H){1|H<1>,2|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[3,6]O)(C[6a]C[6a]H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	120.5700	0.000	1	120.5700	0.000	1	120.5700	0.000	1	119.3630	5.292	92	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:2:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HO)(OH)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])	C[6,6a](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]HO){1|O<2>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HO)(OH)(H){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6]){1|C<4>,1|O<2>,3|H<1>,6|C<3>}	116.0220	0.198	2	116.0220	0.039	2	116.0220	0.039	2	119.3630	5.292	92	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:2:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]O)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[6]HO){1|C<3>,1|H<1>,1|O<1>,2|C<4>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(OH)(H){3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]O)(C[6]C[6]O){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	119.3520	0.000	1	119.3520	0.000	1	118.6003	1.844	52	119.3630	5.292	92	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:2:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6]H)(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO){3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6]H)(OH)(H){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	117.1610	0.000	1	117.1610	0.000	1	118.6003	1.844	52	119.3630	5.292	92	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:2:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H)(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H)(OH)(H){2|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	119.3860	0.000	1	119.3860	0.000	1	118.6003	1.844	52	119.3630	5.292	92	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:2:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(OH)(H){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	117.9885	0.170	2	117.9885	0.029	2	118.6003	1.844	52	119.3630	5.292	92	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:2:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(OH)(H){3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	120.7980	0.000	1	120.7980	0.000	1	118.6003	1.844	52	119.3630	5.292	92	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:2:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<3>,1|H<1>,1|O<1>,2|C<4>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(OH)(H){3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	119.8310	0.000	1	119.8310	0.000	1	118.6003	1.844	52	119.3630	5.292	92	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:2:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO){3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OH)(H){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C){1|Cl<1>,1|C<4>,1|O<2>,2|C<3>,2|H<1>}	115.2100	0.000	1	115.2100	0.000	1	118.6003	1.844	52	119.3630	5.292	92	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:2:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO){2|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OH)(H){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	118.7510	0.000	1	118.7510	0.000	1	118.6003	1.844	52	119.3630	5.292	92	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:2:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<3>,1|C<4>,1|I<1>,1|O<1>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OH)(H){3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	120.9480	0.000	1	120.5532	0.332	6	118.6003	1.844	52	119.3630	5.292	92	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:2:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OH)(H){3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	120.6425	0.550	4	120.5532	0.332	6	118.6003	1.844	52	119.3630	5.292	92	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:2:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|O<1>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OH)(H){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	119.8010	0.000	1	120.5532	0.332	6	118.6003	1.844	52	119.3630	5.292	92	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:2:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OH)(H){3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	119.6575	0.380	2	119.6575	0.144	2	118.6003	1.844	52	119.3630	5.292	92	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:2:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|N<3>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(OH)(H){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	118.3125	1.359	4	118.3125	1.847	4	118.6003	1.844	52	119.3630	5.292	92	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:2:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|O<2>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(OH)(H){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	117.7520	0.370	4	117.7520	0.137	4	118.6003	1.844	52	119.3630	5.292	92	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:2:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<3>,1|C<4>,1|O<1>,2|H<1>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(OH)(H){3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	119.6540	0.000	1	119.6540	0.000	1	118.6003	1.844	52	119.3630	5.292	92	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:2:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N[6]H)(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<4>,1|F<1>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N[6]H)(OH)(H){2|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<3>,1|C<4>,1|F<1>,1|O<2>,3|H<1>}	118.0340	0.000	1	118.0340	0.000	1	118.6003	1.844	52	119.3630	5.292	92	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:2:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N[6]H)(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|N<3>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N[6]H)(OH)(H){2|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	118.4250	0.000	1	118.4250	0.000	1	118.6003	1.844	52	119.3630	5.292	92	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:2:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(OH)(H){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	118.3835	0.183	2	118.3835	0.034	2	118.6003	1.844	52	119.3630	5.292	92	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:2:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|O<2>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(OH)(H){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	120.1300	0.000	1	119.2150	1.674	2	118.6003	1.844	52	119.3630	5.292	92	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:2:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO){3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(OH)(H){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	118.3000	0.000	1	119.2150	1.674	2	118.6003	1.844	52	119.3630	5.292	92	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:2:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a]C[6]H)(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|N<3>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a]C[6]H)(OH)(H){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	118.2740	0.000	1	118.2740	0.000	1	118.6003	1.844	52	119.3630	5.292	92	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:2:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(OC)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]N)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<3>,1|C<4>,1|N<2>,1|O<2>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(OC)(H){1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]N){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	118.8320	0.491	3	118.8320	0.241	3	118.6003	1.844	52	119.3630	5.292	92	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:2:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(OC)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(OC)(H){1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]O){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	117.8790	0.000	1	117.8790	0.000	1	118.6003	1.844	52	119.3630	5.292	92	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:2:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(OH)(H){1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]O){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	118.8470	0.000	1	118.8470	0.000	1	118.6003	1.844	52	119.3630	5.292	92	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:2:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]O[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<3>,1|C<4>,1|O<1>,2|H<1>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(OH)(H){1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]O[6]O){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	117.1474	1.046	8	117.1474	1.094	8	118.6003	1.844	52	119.3630	5.292	92	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:2:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]HH)(OC)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]N)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<3>,1|N<2>,1|O<2>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]HH)(OC)(H){1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]N){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	118.3817	1.226	3	118.3817	1.504	3	118.6003	1.844	52	119.3630	5.292	92	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:2:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(OC)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HO){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(OC)(H){1|I<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2){1|I<1>,2|C<3>,2|C<4>,2|O<2>,3|H<1>}	119.4390	0.000	1	119.4390	0.000	1	118.6003	1.844	52	119.3630	5.292	92	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:2:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(OSi)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HO){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(OSi)(H){1|H<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2){2|C<3>,2|C<4>,2|O<2>,4|H<1>}	119.3680	0.000	1	119.3680	0.000	1	118.6003	1.844	52	119.3630	5.292	92	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:2:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HO){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(OH)(H){1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]O){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	119.9190	0.000	1	119.9190	0.000	1	118.6003	1.844	52	119.3630	5.292	92	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:2:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a,6a]H)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OC)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]Cl)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a,6a]H)(C[6]C[6]HO){1|Cl<1>,1|C<4>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OC)(H){1|N<3>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]Cl)(N[6]C[6]H){1|C<4>,1|N<2>,1|O<2>,2|C<3>,3|H<1>}	119.1440	0.000	1	119.1440	0.000	1	119.7060	5.158	11	119.3630	5.292	92	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:2:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CF)(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<4>,1|F<1>,1|S<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CF)(OH)(H){1|N<3>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	117.2260	0.000	1	117.2260	0.000	1	119.7060	5.158	11	119.3630	5.292	92	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:2:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(OH)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	120.6370	0.000	1	120.6370	0.000	1	119.7060	5.158	11	119.3630	5.292	92	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:2:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<4>,1|S<4>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(OH)(H){1|N<3>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	123.1810	0.000	1	123.1810	0.000	1	119.7060	5.158	11	119.3630	5.292	92	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:2:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OC)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|S<4>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OC)(H){1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	122.4460	0.000	1	122.4460	0.000	1	119.7060	5.158	11	119.3630	5.292	92	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:2:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OC)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OC)(H){1|N<3>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	118.9580	0.000	1	118.9580	0.000	1	119.7060	5.158	11	119.3630	5.292	92	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:2:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OH)(H){1|N<3>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	116.6970	0.000	1	116.6970	0.000	1	119.7060	5.158	11	119.3630	5.292	92	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:2:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<3>,1|C<4>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OH)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	119.6720	0.000	1	119.6720	0.000	1	119.7060	5.158	11	119.3630	5.292	92	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:2:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(OC)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(OC)(H){1|N<3>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	122.7150	0.000	1	122.7150	0.000	1	119.7060	5.158	11	119.3630	5.292	92	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:2:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|Br<1>,1|S<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(OH)(H){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	118.0450	0.687	2	118.0450	0.472	2	119.7060	5.158	11	119.3630	5.292	92	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:2:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]N)(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]N)(OH)(H){1|H<1>,1|N<3>,1|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,2|O<2>,3|H<1>}	123.1430	0.000	1	123.1430	0.000	1	123.2145	0.010	2	119.3630	5.292	92	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:2:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]O)(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]O)(OH)(H){1|H<1>,1|N<3>,1|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,2|O<2>,3|H<1>}	123.2860	0.000	1	123.2860	0.000	1	123.2145	0.010	2	119.3630	5.292	92	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:2:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(OH)(H)	C[6,6a](C[6a,6a]C[6a,6a]2)(C[6,6a]C[6a]C[6])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|O<2>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(OH)(H){2|H<1>,3|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]2)(C[6,6a]C[6a]C[6])(C[6]C[6]H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	120.2350	0.000	1	120.2350	0.000	1	120.2350	0.000	1	119.3630	5.292	92	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:2:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]CC)(OH)(H)	C[6,6a](N[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HO){1|H<1>,1|N<2>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]CC)(OH)(H){1|H<1>,1|N<3>,3|C<3>}	C[6,6a](N[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	119.2060	0.000	1	119.2060	0.000	1	119.5285	0.208	2	119.3630	5.292	92	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:2:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)(OH)(H)	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HO){3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)(OH)(H){1|H<1>,1|N<3>,3|C<3>}	C[6,6a](N[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	119.8510	0.000	1	119.8510	0.000	1	119.5285	0.208	2	119.3630	5.292	92	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:2:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:P[6]-4:O-2:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]P[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(P[6]C[6,6a]ClW)(OC)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]P[6]HO){1|Cl<1>,1|W<6>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(P[6]C[6,6a]ClW)(OC)(H){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,1|P<4>,3|C<3>,4|H<1>}	119.0290	0.000	1	119.0290	0.000	1	119.0290	0.000	1	119.3630	5.292	92	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:2:1:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:N[5a,6]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]N[5a,6]C[6a])(C[6]C[6]HO)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[5a,6]CC)(OH)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(N[5a,6]C[5a,6]N[5a])(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]N[5a,6]C[6a])(C[6]C[6]HO){1|N<2>,2|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[5a,6]CC)(OH)(H){1|N<3>,4|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(N[5a,6]C[5a,6]N[5a])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	119.4390	0.000	1	119.4390	0.000	1	119.4390	0.000	1	119.3630	5.292	92	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:2:1:	3:3:4:	C[6,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:N-2:H-1:	C[6,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6,6a]C[6])2(C[6]C[6]HN)	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(NN)(H)	C[6,6a](C[6,6a]C[6,6a]C[6])2(C[6]C[6]HN)	C[6,6a](C[6,6a]C[6,6a]C[6])2(C[6]C[6]HN){1|C<3>,2|N<2>,4|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(NN)(H){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]C[6])2(C[6]C[6]HN){1|C<3>,2|N<2>,4|C<4>,4|H<1>}	120.8438	0.748	6	120.8438	0.560	6	120.8438	0.560	6	120.7987	1.197	77	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:2:1:	3:3:4:	C[6,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:N-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(C[6]C[6]HN)	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(NC)(H)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(C[6]C[6]HN){1|C<4>,1|O<1>,3|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(NC)(H){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,1|N<2>,2|C<3>,4|H<1>}	119.9590	0.000	1	119.9590	0.000	1	119.9590	0.000	1	120.7987	1.197	77	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:2:1:	3:3:4:	C[6,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(OH)(H)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(C[6]C[6]HO){1|C<4>,1|O<1>,3|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(OH)(H){1|H<1>,2|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	119.3360	0.055	2	119.3360	0.003	2	119.3360	0.003	2	120.7987	1.197	77	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:2:1:	3:3:4:	C[6,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:S-2:H-1:	C[6,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6,6a]C[6])2(C[6]C[6]HS)	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(SC[6a])(H)	C[6,6a](C[6,6a]C[6,6a]C[6])2(C[6]C[6]HS)	C[6,6a](C[6,6a]C[6,6a]C[6])2(C[6]C[6]HS){1|C<3>,2|S<2>,4|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(SC[6a])(H){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]C[6])2(C[6]C[6]HS){1|C<3>,2|S<2>,4|C<4>,4|H<1>}	120.6667	0.545	6	120.6667	0.297	6	120.6667	0.297	6	120.7987	1.197	77	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:2:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C-4:N[6]-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(CC[6a]CH)(N[6]C[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(CC[6a]CH)(N[6]C[6])(H){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	119.3800	0.000	2	119.3800	0.000	2	117.9563	6.080	3	120.7987	1.197	77	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:2:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C-4:N[6]-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(CC[6a]CH)(N[6]C[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HN)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(CC[6a]CH)(N[6]C[6])(H){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HN){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	115.1090	0.000	1	115.1090	0.000	1	117.9563	6.080	3	120.7987	1.197	77	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:2:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(CN)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|C<4>,1|N<2>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(CN)(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<2>,1|C<3>,1|C<4>,5|H<1>}	120.5620	0.000	1	120.5620	0.000	1	120.5620	0.000	1	120.7987	1.197	77	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:2:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:N-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HN)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrH)(NS)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HN){1|Br<1>,1|C<3>,1|C<4>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrH)(NS)(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<2>,5|H<1>}	121.6140	0.000	1	121.6140	0.000	1	120.9971	0.720	8	120.7987	1.197	77	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:2:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:N-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HN)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(NS)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HN){1|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(NS)(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<2>,5|H<1>}	120.7920	0.000	1	120.7920	0.000	1	120.9971	0.720	8	120.7987	1.197	77	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:2:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:N-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HN)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NC)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HN){1|C<3>,1|C<4>,6|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NC)(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<2>,5|H<1>}	120.7335	1.163	4	120.7335	1.354	4	120.9971	0.720	8	120.7987	1.197	77	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:2:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:N-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HN)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NS)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HN){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NS)(H){1|C<2>,1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<2>,1|C<3>,1|C<4>,1|N<2>,4|H<1>}	121.1270	0.000	1	121.3185	0.073	2	120.9971	0.720	8	120.7987	1.197	77	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:2:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:N-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HN)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NS)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HN){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NS)(H){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,1|N<2>,2|C<3>,4|H<1>}	121.5100	0.000	1	121.3185	0.073	2	120.9971	0.720	8	120.7987	1.197	77	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:2:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]O)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OC[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]O)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]O)(C[6]C[6]HO){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OC[6])(H){1|C<4>,2|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]O)(C[6]C[6]HH){1|C<4>,1|H<1>,3|C<3>,3|O<2>}	121.8185	1.090	2	121.8185	1.187	2	121.0279	0.758	50	120.7987	1.197	77	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:2:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]Br)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrH)(OC)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]Br)(C[6]C[6]HO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]Br)(C[6]C[6]HO){2|Br<1>,1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrH)(OC)(H){2|Br<1>,1|C<4>,1|H<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]Br)(C[6]C[6]HO){2|Br<1>,1|C<4>,1|O<2>,2|C<3>,2|H<1>}	121.7110	1.105	2	121.7110	1.220	2	121.0279	0.758	50	120.7987	1.197	77	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:2:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]Br)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrH)(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]Br)(C[6]C[6]HO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]Br)(C[6]C[6]HO){2|Br<1>,1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrH)(OH)(H){2|Br<1>,1|C<4>,1|H<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]Br)(C[6]C[6]HO){2|Br<1>,1|C<4>,1|O<2>,2|C<3>,2|H<1>}	121.2295	0.653	2	121.2295	0.426	2	121.0279	0.758	50	120.7987	1.197	77	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:2:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OC)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HO){1|C<4>,3|C<3>,6|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OC)(H){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	120.3697	0.135	3	120.3697	0.018	3	121.0279	0.758	50	120.7987	1.197	77	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:2:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OC)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HO){1|C<4>,1|O<2>,3|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OC)(H){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	121.1690	0.000	1	121.1690	0.000	1	121.0279	0.758	50	120.7987	1.197	77	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:2:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OC)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]HO){1|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OC)(H){1|H<1>,2|C<3>,3|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	119.5050	0.000	1	119.5050	0.000	1	121.0279	0.758	50	120.7987	1.197	77	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:2:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6]H)(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6]H)(OH)(H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	119.5160	0.000	1	119.5160	0.000	1	121.0279	0.758	50	120.7987	1.197	77	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:2:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6]H)(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]N[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|N<2>,2|C<4>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6]H)(OH)(H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]N[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	119.8350	0.000	1	119.8350	0.000	1	121.0279	0.758	50	120.7987	1.197	77	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:2:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrH)(OC)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|Br<1>,1|C<3>,1|C<4>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrH)(OC)(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	120.8690	0.000	1	121.0957	0.072	3	121.0279	0.758	50	120.7987	1.197	77	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:2:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrH)(OC)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|Br<1>,1|C<4>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrH)(OC)(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	121.2090	0.260	2	121.0957	0.072	3	121.0279	0.758	50	120.7987	1.197	77	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:2:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrH)(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|Br<1>,1|C<3>,1|C<4>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrH)(OH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	121.7137	0.465	3	121.7137	0.217	3	121.0279	0.758	50	120.7987	1.197	77	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:2:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrH)(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|Br<1>,1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrH)(OH)(H){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	121.7860	0.041	2	121.7860	0.002	2	121.0279	0.758	50	120.7987	1.197	77	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:2:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(OH)(H){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	121.7947	0.440	3	121.7947	0.193	3	121.0279	0.758	50	120.7987	1.197	77	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:2:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(OH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	121.3850	0.000	1	121.3850	0.000	1	121.0279	0.758	50	120.7987	1.197	77	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:2:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(OH)(H){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|Br<1>,1|C<3>,1|C<4>,1|O<2>,4|H<1>}	121.2860	0.266	2	121.2008	0.052	5	121.0279	0.758	50	120.7987	1.197	77	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:2:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(OH)(H){1|H<1>,2|C<3>,3|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	121.1440	0.237	3	121.2008	0.052	5	121.0279	0.758	50	120.7987	1.197	77	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:2:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]ClC)(OC)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|Cl<1>,1|C<4>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]ClC)(OC)(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	120.9250	0.000	1	120.9250	0.000	1	121.0279	0.758	50	120.7987	1.197	77	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:2:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]ClH)(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|Cl<1>,1|C<3>,1|C<4>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]ClH)(OH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|Cl<1>,1|C<3>,1|C<4>,1|O<2>,4|H<1>}	120.6295	0.214	2	120.6295	0.046	2	121.0279	0.758	50	120.7987	1.197	77	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:2:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OC)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<3>,1|C<4>,6|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OC)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	121.6130	0.000	1	121.6130	0.000	1	121.0279	0.758	50	120.7987	1.197	77	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:2:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<4>,2|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OH)(H){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	122.7890	0.000	1	122.7890	0.000	1	121.0279	0.758	50	120.7987	1.197	77	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:2:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	120.0170	0.000	1	120.0170	0.000	1	121.0279	0.758	50	120.7987	1.197	77	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:2:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OSi)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<3>,1|C<4>,6|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OSi)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	120.8790	0.000	1	120.8790	0.000	1	121.0279	0.758	50	120.7987	1.197	77	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:2:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<3>,1|C<4>,1|N<4>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(OH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	121.8430	0.000	1	121.8430	0.000	1	121.0279	0.758	50	120.7987	1.197	77	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:2:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HP)(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<3>,1|C<4>,1|P<4>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HP)(OH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	123.0720	0.000	1	123.0720	0.000	1	121.0279	0.758	50	120.7987	1.197	77	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:2:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(OC)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(OC)(H){2|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	120.2510	0.000	1	120.2510	0.000	1	121.0279	0.758	50	120.7987	1.197	77	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:2:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(OH)(H){1|C<4>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	120.4510	0.000	1	120.4510	0.000	1	121.0279	0.758	50	120.7987	1.197	77	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:2:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(OSi)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<4>,1|N<3>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(OSi)(H){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	120.5780	0.000	1	120.5780	0.000	1	121.0279	0.758	50	120.7987	1.197	77	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:2:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]H)(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|O<2>,2|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]H)(OH)(H){1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HH){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.2420	0.000	1	120.2420	0.000	1	121.0279	0.758	50	120.7987	1.197	77	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:2:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]N[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<3>,1|N<4>,1|O<2>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(OH)(H){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]N[6]HH){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	119.9380	0.000	1	119.5230	0.344	2	121.0279	0.758	50	120.7987	1.197	77	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:2:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]N[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<3>,1|N<4>,2|O<2>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(OH)(H){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]N[6]HH){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	119.1080	0.000	1	119.5230	0.344	2	121.0279	0.758	50	120.7987	1.197	77	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:2:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]I)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OC)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]I)(C[6]C[6]HO){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OC)(H){1|C<4>,1|I<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH){1|C<3>,1|C<4>,1|I<3>,1|O<2>,4|H<1>}	120.4617	0.640	4	120.4617	0.410	4	121.0279	0.758	50	120.7987	1.197	77	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:2:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HO){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(OH)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	121.1600	0.000	1	121.1600	0.000	1	121.0279	0.758	50	120.7987	1.197	77	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:2:1:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C-4:O[6]-2:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(CC[6a]HH)(O[6]C[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]2C[6])(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]CH){2|O<2>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(CC[6a]HH)(O[6]C[6])(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]2C[6])(C[6a]C[6a]O){1|C<4>,1|O<1>,1|O<2>,3|H<1>,5|C<3>}	122.2170	0.000	1	122.2170	0.000	1	122.2170	0.000	1	122.4128	0.736	6	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:2:1:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]ClH)(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6,6]C[6]O[6]2)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]HO){1|Cl<1>,1|C<3>,1|C<4>,2|O<2>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]ClH)(OH)(H){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6,6]C[6]O[6]2)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>,3|O<2>}	123.7840	0.000	1	123.7840	0.000	1	123.7840	0.000	1	122.4128	0.736	6	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:2:1:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HP)(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[5,6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[6]HO){1|C<4>,1|O<2>,1|P<4>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HP)(OH)(H){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[5,6a]H){1|C<4>,2|O<2>,3|H<1>,4|C<3>}	121.4690	0.000	1	121.4690	0.000	1	121.9123	0.451	3	122.4128	0.736	6	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:2:1:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CC)(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HO){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CC)(OH)(H){1|O<2>,2|C<3>,3|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]O){1|C<3>,2|H<1>,2|O<2>,3|C<4>}	122.1340	0.779	2	122.1340	0.607	2	121.9123	0.451	3	122.4128	0.736	6	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:2:1:	3:4:3:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[5,6]-4:O-2:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[5,6]HO)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6]C[5]H)(OH)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6]C[5,6]C[6a]H)(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[5,6]HO){2|C<4>,4|C<3>,4|H<1>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6]C[5]H)(OH)(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6]C[5,6]C[6a]H)(C[6a]C[6a]H){1|C<4>,1|O<2>,3|H<1>,5|C<3>}	122.7390	0.000	1	122.7390	0.000	1	122.7390	0.000	1	122.4128	0.736	6	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:2:1:	4:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[5,6]-4:C[6,6a]-3:N[6a]-2:	C[6,6a](C[6,6a]C[5,6]N[6a])(C[6a]C[6,6a]H)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]CC)(OH)(H)	C[6,6a](C[5,6]C[5,6]O[5]C)(C[6,6a]C[6a]C[6])(N[6a]C[6,6a])	C[6,6a](C[6,6a]C[5,6]N[6a])(C[6a]C[6,6a]H)(C[6]C[6]HO){1|O<2>,2|C<3>,4|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]CC)(OH)(H){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	C[6,6a](C[5,6]C[5,6]O[5]C)(C[6,6a]C[6a]C[6])(N[6a]C[6,6a]){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	120.4360	0.339	2	120.4360	0.115	2	120.4360	0.115	2	120.4360	0.115	2	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:2:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[5,6]-4:N-2:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[5,6]HN)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(NN)(H)	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[5,6]HN){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(NN)(H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H){1|C<4>,1|N<2>,1|O<2>,3|H<1>,4|C<3>}	122.3170	0.000	1	122.3170	0.000	1	122.3170	0.000	1	122.6219	0.549	8	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:2:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[5,6]-4:O-2:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[5,6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(OC)(H)	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[5,6]HO){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(OC)(H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H){1|C<4>,2|O<2>,3|H<1>,4|C<3>}	121.4950	0.000	1	121.4950	0.000	1	122.3300	1.394	2	122.6219	0.549	8	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:2:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[5,6]-4:O-2:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]H)(C[6]C[5,6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(OH)(H)	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[6,6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]H)(C[6]C[5,6]HO){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(OH)(H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[6,6a]H){1|C<4>,2|O<2>,3|H<1>,4|C<3>}	123.1650	0.000	1	123.1650	0.000	1	122.3300	1.394	2	122.6219	0.549	8	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:2:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-2:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]N)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(CN)(H)	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]N)(C[6]C[6]CH){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(CN)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<2>,1|C<3>,1|N<3>,1|O<2>,3|C<4>,4|H<1>}	122.5550	0.000	1	122.5550	0.000	1	122.5550	0.000	1	122.6219	0.549	8	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:2:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrH)(OH)(H)	C[6,6a](C[5,6]C[5]C[6]O[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HO){1|Br<1>,1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrH)(OH)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[5,6]C[5]C[6]O[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,2|O<2>,6|H<1>}	122.5510	0.000	1	122.5510	0.000	1	122.5510	0.000	1	122.6219	0.549	8	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:2:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5,6a]H)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HO)(OH)(H)	C[6,6a](C[6,6]C[6,6]N[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5,6a]H)(C[6]C[6]HO){1|C<3>,1|C<4>,1|N<3>,2|O<2>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HO)(OH)(H){1|H<1>,2|C<4>,3|C<3>}	C[6,6a](C[6,6]C[6,6]N[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H){2|C<3>,2|H<1>,2|O<2>,4|C<4>}	122.5920	0.000	1	122.5920	0.000	1	122.9640	0.912	3	122.6219	0.549	8	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:2:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]N)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(OH)(H)	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]N)(C[6]C[6]HO){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(OH)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|O<2>,3|C<4>,4|H<1>}	124.0490	0.000	1	124.0490	0.000	1	122.9640	0.912	3	122.6219	0.549	8	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:2:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]HO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HO)(OH)(H)	C[6,6a](C[6,6]C[6,6]C[6]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]HO){1|C<3>,2|C<4>,2|H<1>,3|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HO)(OH)(H){2|C<3>,2|C<4>,2|O<2>}	C[6,6a](C[6,6]C[6,6]C[6]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|C<3>,3|C<4>,3|O<2>,4|H<1>}	122.2510	0.000	1	122.2510	0.000	1	122.9640	0.912	3	122.6219	0.549	8	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:2:2:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-2:C-2:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]CC)(CN)2	C[6,6a](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CC){1|H<1>,1|N<3>,1|O<2>,2|C<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]CC)(CN)2{1|H<1>,4|C<3>}	C[6,6a](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,2|C<2>,2|H<1>,4|C<3>}	117.6020	0.000	1	117.6020	0.000	1	117.6020	0.000	1	118.9937	1.584	3	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:2:2:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-2:C-2:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CN)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|Br<1>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CN)2{1|N<3>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|C<4>,2|C<2>,4|H<1>}	119.3270	0.000	1	119.6895	0.263	2	119.6895	0.263	2	118.9937	1.584	3	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:2:2:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-2:C-2:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CN)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CC){2|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CN)2{1|N<3>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|C<4>,2|C<2>,4|H<1>}	120.0520	0.000	1	119.6895	0.263	2	119.6895	0.263	2	118.9937	1.584	3	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:2:4:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:S-2:C-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CS)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(SC[6a])(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CS){1|O<2>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(SC[6a])(CH3){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|S<2>,2|C<4>,3|H<1>}	119.7140	0.000	1	119.7140	0.000	1	119.7140	0.000	1	119.7140	0.000	1	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:3:1:	3:2:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6,6a]-3:O[6a]-2:C[6]-3:	C[6,6a](C[6,6a]O[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(COO)(H)	C[6,6a](C[6,6a]C[6a]C[6])(O[6a]C[6a,6a])(C[6]C[6]H)	C[6,6a](C[6,6a]O[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6]CH){1|O<2>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(COO)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(O[6a]C[6a,6a])(C[6]C[6]H){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	118.6045	1.648	2	118.6045	2.717	2	118.6045	2.717	2	118.6045	2.717	2	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:3:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]CH)(CCH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]S[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|H<1>,1|O<2>,1|S<4>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]CH)(CCH)(H){1|H<1>,1|N<2>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]S[6]){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	120.7653	1.545	3	120.7653	2.386	3	120.7653	2.386	3	120.1172	1.065	33	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:3:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[5,6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6]H)(CCH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[5,6a]H)(C[6]C[6]CH){1|O<2>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6]H)(CCH)(H){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(O[6]C[6]){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	119.0870	0.000	1	119.0870	0.000	1	120.0800	1.408	10	120.1172	1.065	33	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:3:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[5,6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CCH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[5,6a]H)(C[6]C[6]CH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CCH)(H){1|O<2>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(O[6]C[6]){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	121.6495	0.648	2	121.6495	0.420	2	120.0800	1.408	10	120.1172	1.065	33	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:3:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(CC[5]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|Br<1>,1|C<3>,1|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(CC[5]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6]){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	120.4360	0.000	1	120.2370	0.079	2	120.0800	1.408	10	120.1172	1.065	33	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:3:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(CC[5]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(CC[5]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6]){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	120.0380	0.000	1	120.2370	0.079	2	120.0800	1.408	10	120.1172	1.065	33	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:3:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CNO)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH){3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CNO)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	119.4020	0.000	1	119.4020	0.000	1	120.0800	1.408	10	120.1172	1.065	33	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:3:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CN)(CCH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|H<1>,1|N<2>,1|O<2>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CN)(CCH)(H){1|O<2>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,2|C<3>,5|H<1>}	121.0790	0.000	1	121.0790	0.000	1	120.0800	1.408	10	120.1172	1.065	33	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:3:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|Cl<1>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCH)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	119.8030	0.000	1	119.8030	0.000	1	120.0800	1.408	10	120.1172	1.065	33	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:3:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(COO)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH){3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(COO)(H){1|H<1>,1|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,3|C<3>,3|H<1>}	118.8280	1.243	2	118.8280	1.545	2	120.0800	1.408	10	120.1172	1.065	33	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:3:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HN)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]HH)(NHH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]S[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HN){1|C<3>,1|S<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]HH)(NHH)(H){1|H<1>,1|N<2>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]S[6]){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	121.6420	0.000	1	121.6420	0.000	1	120.9220	1.037	2	120.1172	1.065	33	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:3:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]N)(C[6]C[6]HN)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NCH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]N)(C[6]C[6]HN){1|C<3>,1|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NCH)(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|C<3>,2|C<4>,2|N<3>,3|H<1>}	120.2020	0.000	1	120.2020	0.000	1	120.9220	1.037	2	120.1172	1.065	33	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:3:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HN)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(NHN)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HN){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(NHN)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	118.4680	0.000	1	118.4680	0.000	1	119.7677	0.790	13	120.1172	1.065	33	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:3:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HN)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(NHP)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HN){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(NHP)(H){1|O<2>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	120.7790	0.000	1	120.7790	0.000	1	119.7677	0.790	13	120.1172	1.065	33	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:3:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HN)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(NHS)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HN){1|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(NHS)(H){1|O<2>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	120.8450	0.000	1	120.5130	0.220	2	119.7677	0.790	13	120.1172	1.065	33	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:3:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HN)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(NHS)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HN){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(NHS)(H){1|O<2>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	120.1810	0.000	1	120.5130	0.220	2	119.7677	0.790	13	120.1172	1.065	33	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:3:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HN)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CN)(NC[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HN){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CN)(NC[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	119.1790	0.000	1	118.8880	0.284	3	119.7677	0.790	13	120.1172	1.065	33	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:3:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HN)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CN)(NC[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HN){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CN)(NC[6a]H)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	118.7425	0.664	2	118.8880	0.284	3	119.7677	0.790	13	120.1172	1.065	33	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:3:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HN)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NC[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HN){1|C<3>,1|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NC[6a]H)(H){1|O<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	120.0890	0.000	1	120.0890	0.000	1	119.7677	0.790	13	120.1172	1.065	33	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:3:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HN)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NHS)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HN){1|C<3>,1|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NHS)(H){1|O<2>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	120.2750	0.000	1	120.2733	0.754	3	119.7677	0.790	13	120.1172	1.065	33	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:3:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HN)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NHS)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HN){1|Cl<1>,1|C<3>,1|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NHS)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	120.2725	1.228	2	120.2733	0.754	3	119.7677	0.790	13	120.1172	1.065	33	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:3:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HN)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(NHS)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HN){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(NHS)(H){1|O<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	119.3550	0.000	1	119.3550	0.000	1	119.7677	0.790	13	120.1172	1.065	33	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:3:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HN)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(NCH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HN){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(NCH)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|N<3>,3|C<4>,3|H<1>}	119.7790	0.000	1	119.7790	0.000	1	119.7677	0.790	13	120.1172	1.065	33	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:3:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-4:N-3:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HN)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]Nb[6,6]CC)(NCC)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]Nb[6,6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HN){1|Nb<6>,1|C<3>,1|H<1>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]Nb[6,6]CC)(NCC)(H){1|H<1>,1|N<2>,2|C<3>,2|N<3>,2|O<2>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]Nb[6,6]){1|C<3>,1|N<2>,1|N<4>,1|O<2>,3|H<1>,3|N<3>}	121.4880	0.000	1	121.4880	0.000	1	121.4880	0.000	1	120.1172	1.065	33	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:3:1:	3:3:2:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:N[6a]-2:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(C[6]C[6a]C[6]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]HH)(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a,6a]C[6])(N[6a]C[6a])	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(C[6]C[6a]C[6]H){3|H<1>,7|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]HH)(C[6a]C[6a]2)(H){1|N<2>,2|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a,6a]C[6])(N[6a]C[6a]){1|C<4>,1|N<3>,2|H<1>,5|C<3>}	120.1590	0.081	2	120.1590	0.006	2	120.1590	0.006	2	120.1172	1.065	33	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:3:1:	3:3:2:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]HN)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[5,6]HH)(NC[6a]H)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6])	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]HN){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[5,6]HH)(NC[6a]H)(H){2|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6]){1|C<4>,1|N<3>,1|O<2>,2|H<1>,3|C<3>}	120.2510	0.000	1	120.2510	0.000	1	120.0700	0.066	2	120.1172	1.065	33	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:3:1:	3:3:2:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]HN)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]CH)(NN[5]C)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]HN){1|C<4>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]CH)(NN[5]C)(H){1|O<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	119.8890	0.000	1	119.8890	0.000	1	120.0700	0.066	2	120.1172	1.065	33	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:3:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-3:F-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CF)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(COO)(F)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CF){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(COO)(F){1|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<4>,1|F<1>,2|H<1>,3|C<3>}	118.8630	0.000	1	118.8630	0.000	1	118.8630	0.000	1	119.3777	2.751	59	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:3:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]CO)(COO)(H)	C[6,6a](C[5a,6]N[5a,6]N[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]CO)(COO)(H){1|H<1>,4|C<3>}	C[6,6a](C[5a,6]N[5a,6]N[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	119.5133	0.857	3	119.5133	0.734	3	119.4592	0.501	4	119.3777	2.751	59	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:3:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)(COO)(H)	C[6,6a](C[5a,6]C[5a,6a]C[5a,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]CH){3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)(COO)(H){1|N<3>,1|O<2>,3|C<3>}	C[6,6a](C[5a,6]C[5a,6a]C[5a,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<2>,2|H<1>,4|C<3>}	119.2970	0.000	1	119.2970	0.000	1	119.4592	0.501	4	119.3777	2.751	59	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:3:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HO)(CCH)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]CH){1|O<2>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HO)(CCH)(H){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	118.8050	0.000	1	118.8050	0.000	1	118.8050	0.000	1	119.3777	2.751	59	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:3:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(COO)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(COO)(H){1|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	121.5910	0.000	1	121.5910	0.000	1	121.5910	0.000	1	119.3777	2.751	59	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:3:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]N[6]H)(CN[5]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]N[6]H)(CN[5]O)(H){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O){2|C<3>,2|C<4>,3|H<1>}	118.4075	1.032	2	118.4075	1.064	2	119.0821	2.093	20	119.3777	2.751	59	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:3:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CC[6a]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CC[6a]O)(H){3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,2|C<3>,5|H<1>}	121.5310	0.000	1	121.5310	0.000	1	119.0821	2.093	20	119.3777	2.751	59	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:3:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(COO)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(COO)(H){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|Br<1>,1|N<3>,2|C<3>,2|C<4>,2|H<1>}	122.0290	0.000	1	121.8975	0.035	2	119.0821	2.093	20	119.3777	2.751	59	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:3:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(COO)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(COO)(H){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	121.7660	0.000	1	121.8975	0.035	2	119.0821	2.093	20	119.3777	2.751	59	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:3:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(COO)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(COO)(H){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O){2|C<3>,2|C<4>,3|H<1>}	117.9640	0.000	2	118.3815	0.536	8	119.0821	2.093	20	119.3777	2.751	59	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:3:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(COO)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(COO)(H){1|C<4>,1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O){2|C<3>,2|C<4>,3|H<1>}	117.8503	0.339	3	118.3815	0.536	8	119.0821	2.093	20	119.3777	2.751	59	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:3:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(COO)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(COO)(H){1|H<1>,1|S<4>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<4>,1|S<4>,2|C<3>,3|H<1>}	119.1910	0.424	3	118.3815	0.536	8	119.0821	2.093	20	119.3777	2.751	59	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:3:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]C)(COO)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]C)(COO)(H){1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]O){1|C<4>,2|C<3>,3|H<1>}	118.1890	0.000	1	118.1890	0.000	1	119.0821	2.093	20	119.3777	2.751	59	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:3:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(COO)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(COO)(H){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O){2|C<3>,2|C<4>,3|H<1>}	118.3243	0.986	3	118.3243	0.972	3	119.0821	2.093	20	119.3777	2.751	59	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:3:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CC)(CNO)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CC)(CNO)(H){1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]O){1|C<4>,2|C<3>,3|H<1>}	118.5530	0.000	1	118.5530	0.000	1	119.0821	2.093	20	119.3777	2.751	59	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:3:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(CCC)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]CH){1|O<1>,2|C<3>,2|H<1>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(CCC)(H){1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]O){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	120.3665	0.426	2	120.3665	0.182	2	119.0821	2.093	20	119.3777	2.751	59	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:3:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(CCH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|C<4>,1|S<4>,2|C<2>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(CCH)(H){1|N<3>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){1|C<4>,3|C<3>,4|H<1>}	117.3730	0.000	1	117.3730	0.000	1	117.6175	0.510	4	119.3777	2.751	59	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:3:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CN)(CCH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|N<3>,1|S<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CN)(CCH)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	118.1630	0.399	2	118.1630	0.159	2	117.6175	0.510	4	119.3777	2.751	59	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:3:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(CCH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(CCH)(H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){2|C<3>,2|C<4>,4|H<1>}	116.7710	0.000	1	116.7710	0.000	1	117.6175	0.510	4	119.3777	2.751	59	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:3:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C[6]-3:H-1:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]2H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6]H)(C[6]C[5,6]H)(H)	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]2H){4|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6]H)(C[6]C[5,6]H)(H){2|H<1>,7|C<3>}	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,3|H<1>,5|C<3>}	122.7235	0.040	2	122.7235	0.002	2	122.7235	0.002	2	119.3777	2.751	59	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:3:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6a,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]2H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6]H)(C[6]C[6,6a]2)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])	C[6,6a](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]2H){2|H<1>,7|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6]H)(C[6]C[6,6a]2)(H){10|C<3>,1|H<1>}	C[6,6a](C[6,6a]C[6a,6a]C[6,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6]){1|C<4>,3|H<1>,7|C<3>}	120.6490	0.057	2	120.6490	0.003	2	120.6490	0.003	2	119.3777	2.751	59	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:3:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]C)(C[6]C[6]2H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6]H)(C[6]C[6]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]C)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]C)(C[6]C[6]2H){1|C<2>,1|O<1>,2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6]H)(C[6]C[6]O)(H){1|C<2>,1|H<1>,1|O<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]C)(C[6]C[6]H){1|C<2>,1|C<4>,2|H<1>,3|C<3>}	117.8885	0.531	2	117.8885	0.282	2	117.8885	0.282	2	119.3777	2.751	59	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:3:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HN)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]CH)(NHS)(H)	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HN){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]CH)(NHS)(H){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,2|C<4>,3|C<3>,4|H<1>}	122.7620	0.000	1	122.7620	0.000	1	122.7620	0.000	1	119.3777	2.751	59	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:3:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]HN)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HO)(NCH)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]HN){1|Cl<1>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HO)(NCH)(H){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	116.8650	0.000	1	116.8650	0.000	1	116.8650	0.000	1	119.3777	2.751	59	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:3:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HN)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H)(NCH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HN){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H)(NCH)(H){2|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	120.2620	0.383	2	120.2620	0.147	2	119.5646	2.270	7	119.3777	2.751	59	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:3:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HN)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(NHS)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HN){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(NHS)(H){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	117.6210	0.000	1	117.6210	0.000	1	119.5646	2.270	7	119.3777	2.751	59	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:3:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HN)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(NCH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HN){1|N<3>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(NCH)(H){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	117.4370	0.000	1	117.4370	0.000	1	119.5646	2.270	7	119.3777	2.751	59	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:3:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HN)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(NCH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HN){1|O<2>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(NCH)(H){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	119.3940	0.000	1	119.3940	0.000	1	119.5646	2.270	7	119.3777	2.751	59	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:3:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HN)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(NCH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HN){3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(NCH)(H){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	121.2280	0.000	1	121.2280	0.000	1	119.5646	2.270	7	119.3777	2.751	59	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:3:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HN)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(NN[5a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HN){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(NN[5a]H)(H){3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	120.7480	0.000	1	120.7480	0.000	1	119.5646	2.270	7	119.3777	2.751	59	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:3:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]C)(C[6]C[6]HN)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NC[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]C)(C[6]C[6]HN){1|C<3>,1|C<4>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NC[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|N<3>,2|C<3>,2|H<1>,3|C<4>}	120.1010	0.000	1	120.1010	0.000	1	118.4885	2.651	4	119.3777	2.751	59	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:3:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HN)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(NC[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HN){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(NC[6a]H)(H){1|N<3>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	119.6680	0.000	1	119.6680	0.000	1	118.4885	2.651	4	119.3777	2.751	59	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:3:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HN)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(NHS)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HN){1|S<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(NHS)(H){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	116.9130	0.000	1	117.0925	0.064	2	118.4885	2.651	4	119.3777	2.751	59	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:3:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HN)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(NHS)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HN){1|S<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(NHS)(H){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	117.2720	0.000	1	117.0925	0.064	2	118.4885	2.651	4	119.3777	2.751	59	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:3:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:N[5]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[5a]C[6a])(C[6]C[6]N[5]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(N[5]C[5]2)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[5a]C[6a])(C[6]C[6]N[5]H){1|N<2>,2|C<4>,3|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(N[5]C[5]2)(H){1|N<3>,1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	119.1737	0.471	3	119.1737	0.222	3	119.1737	0.222	3	119.3777	2.751	59	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:3:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-4:C-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]CC)(CCC)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]N[6]CH){2|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]CC)(CCC)(H){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<4>,4|C<3>,4|H<1>}	118.4965	0.204	2	118.4965	0.042	2	118.4965	0.042	2	119.3777	2.751	59	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:3:1:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6,6a]-3:C[5,6]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[5,6]C[6a])(C[6]C[6]HN)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[5,6]HH)(NHS)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[5,6]C[5,6]C[5])(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[5,6]C[6a])(C[6]C[6]HN){1|C<4>,4|C<3>,4|H<1>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[5,6]HH)(NHS)(H){1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[5,6]C[5,6]C[5])(C[6a]C[6a]H){1|Si<4>,1|N<3>,2|C<4>,3|C<3>,3|H<1>}	121.6265	0.738	4	121.6265	0.545	4	121.6265	0.545	4	119.3777	2.751	59	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:3:1:	3:3:4:	C[6,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(C[6]C[6]HN)	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(NCH)(H)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(C[6]C[6]HN){1|C<4>,1|O<1>,3|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(NCH)(H){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	120.0780	0.000	1	120.0780	0.000	1	120.0780	0.000	1	121.2729	3.262	41	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(COO)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6]CH){1|C<4>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(COO)(H){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6]HH){1|C<4>,3|H<1>,4|C<3>}	121.1570	0.000	1	121.1570	0.000	1	121.7895	0.804	11	121.2729	3.262	41	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CN)(CCH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|Br<1>,1|C<3>,1|N<2>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CN)(CCH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,2|C<3>,5|H<1>}	121.8920	0.000	1	121.8920	0.000	1	121.7895	0.804	11	121.2729	3.262	41	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCH)(H){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	121.9110	0.000	1	121.9110	0.000	1	121.7895	0.804	11	121.2729	3.262	41	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[6a]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,3|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[6a]O)(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|C<4>,2|C<3>,5|H<1>}	122.6030	0.000	1	122.6030	0.000	1	121.7895	0.804	11	121.2729	3.262	41	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(CCO)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(CCO)(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,2|C<3>,5|H<1>}	120.7050	0.000	1	120.7050	0.000	1	121.7895	0.804	11	121.2729	3.262	41	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(CC[6a]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HN)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(CC[6a]O)(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HN){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	123.4670	0.000	1	123.4670	0.000	1	121.7895	0.804	11	121.2729	3.262	41	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HP)(COO)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|C<4>,1|P<4>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HP)(COO)(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,2|C<3>,5|H<1>}	122.3960	0.000	1	122.3960	0.000	1	121.7895	0.804	11	121.2729	3.262	41	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CC[6a]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CC[6a]O)(H){1|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	122.4060	0.000	1	122.4060	0.000	1	121.7895	0.804	11	121.2729	3.262	41	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CC[6a]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CC[6a]O)(H){1|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<4>,2|C<3>,5|H<1>}	121.2000	0.000	1	121.2000	0.000	1	121.7895	0.804	11	121.2729	3.262	41	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CCH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Br)(C[6]N[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|Br<1>,1|C<3>,1|N<3>,1|O<2>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CCH)(H){1|H<1>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Br)(C[6]N[6]HH){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	120.4580	0.000	1	120.4580	0.000	1	121.7895	0.804	11	121.2729	3.262	41	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CCH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|N<3>,2|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CCH)(H){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|C<4>,3|C<3>,3|H<1>}	121.4890	0.000	1	121.4890	0.000	1	121.7895	0.804	11	121.2729	3.262	41	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6,6a]-3:C[6a]-3:S[6]-4:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCO)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6]OO)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|C<4>,1|O<2>,2|O<1>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCO)(H){1|S<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6]OO){1|C<4>,2|C<3>,5|H<1>}	124.3195	0.156	2	124.3195	0.024	2	124.3195	0.024	2	121.2729	3.262	41	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]C)(C[6]C[6]2H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]2H)(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6]2H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]C)(C[6]C[6]2H){1|C<4>,4|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]2H)(C[6]C[6]H)(H){1|H<1>,2|C<4>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6]2H){2|H<1>,3|C<4>,5|C<3>}	114.0230	0.000	1	114.0230	0.000	1	118.0422	14.817	4	121.2729	3.262	41	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6]2H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]2C)(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]C)(C[6]C[6]2H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6]2H){2|H<1>,3|C<4>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]2C)(C[6]C[6]H)(H){1|C<4>,2|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]C)(C[6]C[6]2H){1|C<4>,4|H<1>,5|C<3>}	117.5180	0.000	1	117.5180	0.000	1	118.0422	14.817	4	121.2729	3.262	41	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]2C)(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2H){1|C<2>,1|C<4>,3|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]2C)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<2>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2C){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	117.3390	0.000	1	117.3390	0.000	1	118.0422	14.817	4	121.2729	3.262	41	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H)(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2H){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H)(C[6]C[6]H)(H){2|C<3>,3|C<4>,6|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	123.2890	0.000	1	123.2890	0.000	1	118.0422	14.817	4	121.2729	3.262	41	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HN)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6]H)(NCH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HN){1|C<4>,2|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6]H)(NCH)(H){1|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	121.6000	0.154	2	121.6000	0.024	2	121.3519	0.646	21	121.2729	3.262	41	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HN)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(NCH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HN){1|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(NCH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	121.7230	0.000	1	121.7230	0.000	1	121.3519	0.646	21	121.2729	3.262	41	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HN)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(NHS)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HN){1|C<2>,1|C<3>,1|C<4>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(NHS)(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	121.8610	0.000	1	121.5893	0.138	3	121.3519	0.646	21	121.2729	3.262	41	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HN)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(NHS)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HN){1|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(NHS)(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	121.4535	0.407	2	121.5893	0.138	3	121.3519	0.646	21	121.2729	3.262	41	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HN)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]FH)(NSS)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HN){1|C<3>,1|C<4>,1|F<1>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]FH)(NSS)(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	121.0117	0.658	3	121.0117	0.433	3	121.3519	0.646	21	121.2729	3.262	41	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HN)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NCH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HN){1|C<3>,1|C<4>,6|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NCH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	121.7814	0.838	8	121.7814	0.701	8	121.3519	0.646	21	121.2729	3.262	41	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HN)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NCP)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HN){1|C<3>,1|C<4>,6|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NCP)(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	120.3780	0.231	2	120.3780	0.053	2	121.3519	0.646	21	121.2729	3.262	41	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HN)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NC[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HN){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NC[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	119.8030	0.000	1	119.8030	0.000	1	121.3519	0.646	21	121.2729	3.262	41	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:3:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HN)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NHS)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HN){1|C<3>,1|C<4>,6|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NHS)(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	120.8540	0.000	1	120.8540	0.000	1	121.3519	0.646	21	121.2729	3.262	41	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:3:1:	3:3:4:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[6]CH)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]CH)(CCH)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[6]CH){2|C<4>,3|C<3>,5|H<1>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]CH)(CCH)(H){1|C<4>,5|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,2|H<1>,5|C<3>}	121.6150	0.006	2	121.6150	0.000	2	121.6150	0.000	2	121.2729	3.262	41	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:3:1:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]N[6]H)(C[6]N[6]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]N[6]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2H){1|C<4>,1|O<1>,2|C<3>,2|N<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]N[6]H)(C[6]N[6]O)(H){1|C<4>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]N[6]H)(C[6a]C[6a]H){1|C<4>,4|C<3>,5|H<1>}	115.9900	0.000	1	115.9900	0.000	1	115.4425	0.600	2	115.4425	0.600	2	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:3:1:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]N[6]H)(C[6]N[6]S)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]N[6]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2H){1|C<4>,1|S<2>,2|C<3>,2|N<2>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]N[6]H)(C[6]N[6]S)(H){1|C<4>,1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]N[6]H)(C[6a]C[6a]H){1|Br<1>,1|C<4>,3|H<1>,4|C<3>}	114.8950	0.000	1	114.8950	0.000	1	115.4425	0.600	2	115.4425	0.600	2	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:3:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[5,6]-4:N-3:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[5,6]HN)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(NCH)(H)	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[5,6]HN){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(NCH)(H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H){1|C<4>,1|N<3>,1|O<2>,3|H<1>,4|C<3>}	123.7885	0.627	4	123.7885	0.393	4	123.7885	0.393	4	122.2574	5.493	8	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:3:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]C[6a]H)(CC[6a]O)(H)	C[6,6a](C[3,6]C[3,6]N[3]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]C[6a]H)(CC[6a]O)(H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[3,6]C[3,6]N[3]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|S<4>,2|C<3>,4|H<1>}	120.5980	0.000	1	120.5980	0.000	1	120.5980	0.000	1	122.2574	5.493	8	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:3:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[5,6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(CCH)(H)	C[6,6a](C[5,6,6]C[5,6]2C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(CCH)(H){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[5,6,6]C[5,6]2C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<4>,5|C<3>,5|H<1>}	122.8760	0.000	1	122.8760	0.000	1	122.8760	0.000	1	122.2574	5.493	8	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:3:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(CC[6a]O)(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CH){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(CC[6a]O)(H){2|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,2|C<4>,4|C<3>,4|H<1>}	122.1480	0.000	1	122.1480	0.000	1	122.1480	0.000	1	122.2574	5.493	8	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:3:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C[6]-3:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]2H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]2H)(C[6]C[6]H)(H)	C[6,6a](C[5,6]C[5,6]C[5]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]2H){1|C<4>,4|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]2H)(C[6]C[6]H)(H){1|C<4>,2|H<1>,6|C<3>}	C[6,6a](C[5,6]C[5,6]C[5]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,4|H<1>,5|C<3>}	117.2830	0.000	1	117.2830	0.000	1	117.2830	0.000	1	122.2574	5.493	8	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:3:2:	3:2:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-3:O-2:	C[6,6a]-3:O[6a]-2:C[6]-4:	C[6,6a](C[6,6a]O[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6]CO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(COO)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(O[6a]C[6a,6a])(C[6]C[6]HH)	C[6,6a](C[6,6a]O[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6]CO){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(COO)(OH){1|C<3>,1|C<4>,1|H<1>,1|O<1>,2|O<2>}	C[6,6a](C[6,6a]C[6a]C[6])(O[6a]C[6a,6a])(C[6]C[6]HH){1|C<4>,1|H<1>,1|O<1>,2|O<2>,3|C<3>}	120.6590	0.000	1	120.6590	0.000	1	120.6590	0.000	1	120.6590	0.000	1	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:3:2:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-3:O-2:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(COO)(OH)	C[6,6a](C[6,6]C[6,6]N[6])(C[6,6a]C[6a]C[6])(C[6a]N[6a]Cl)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CO){1|Cl<1>,1|C<3>,1|N<2>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(COO)(OH){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6]C[6,6]N[6])(C[6,6a]C[6a]C[6])(C[6a]N[6a]Cl){1|H<1>,1|O<2>,2|C<3>,4|C<4>}	116.9750	0.000	1	116.9585	0.001	2	116.9585	0.001	2	118.7260	3.211	10	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:3:2:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-3:O-2:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(COO)(OH)	C[6,6a](C[6,6]C[6,6]N[6])(C[6,6a]C[6a]C[6])(C[6a]N[6a]Cl)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CO){2|Cl<1>,1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(COO)(OH){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6]C[6,6]N[6])(C[6,6a]C[6a]C[6])(C[6a]N[6a]Cl){1|H<1>,1|O<2>,2|C<3>,4|C<4>}	116.9420	0.000	1	116.9585	0.001	2	116.9585	0.001	2	118.7260	3.211	10	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:3:2:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(CCH)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]N)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CO){1|C<3>,1|N<2>,2|H<1>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(CCH)(OH){3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]N){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	119.7130	0.000	1	119.7130	0.000	1	118.6663	1.167	7	118.7260	3.211	10	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:3:2:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(COO)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]N[6a]Cl)(C[6]C[6]N)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CO){2|Cl<1>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(COO)(OH){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]N[6a]Cl)(C[6]C[6]N){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	117.9435	0.498	4	117.9435	0.248	4	118.6663	1.167	7	118.7260	3.211	10	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:3:2:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(CCO)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CO){1|O<2>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(CCO)(OH){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	120.4160	0.000	1	120.4160	0.000	1	118.6663	1.167	7	118.7260	3.211	10	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:3:2:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(COO)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]N[6a]Cl)(C[6]C[6]N)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CO){2|Cl<1>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(COO)(OH){1|H<1>,1|N<3>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]N[6a]Cl)(C[6]C[6]N){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	118.7610	0.000	1	118.7610	0.000	1	118.6663	1.167	7	118.7260	3.211	10	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:3:2:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C[6]-3:C-2:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]2C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(C[6]C[6]2)(CN)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]2C){2|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(C[6]C[6]2)(CN){1|N<3>,2|C<4>,3|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<2>,1|C<4>,2|C<3>,4|H<1>}	122.6790	0.000	1	122.6790	0.000	1	122.6790	0.000	1	118.7260	3.211	10	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:3:2:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C[6]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O[6]H)(C[6]O[6]C)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]CH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2O){1|C<4>,2|O<2>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O[6]H)(C[6]O[6]C)(OC){1|C<4>,1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]CH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	117.3890	0.000	1	117.1123	0.151	3	117.1123	0.151	3	117.1123	0.151	3	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:3:2:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C[6]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O[6]H)(C[6]O[6]C)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]CH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2O){1|C<4>,2|O<2>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O[6]H)(C[6]O[6]C)(OC){1|H<1>,2|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]CH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	116.9740	0.433	2	117.1123	0.151	3	117.1123	0.151	3	117.1123	0.151	3	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-3:C-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(COO)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]C)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]H)(C[6]C[6]CC){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(COO)2{1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]C){1|C<4>,2|H<1>,6|C<3>}	117.8930	0.000	1	117.8930	0.000	1	117.8930	0.000	1	118.4518	2.409	9	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-3:C-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(COO)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(COO)2{2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<4>,3|C<3>,3|H<1>}	117.5260	0.033	2	117.5260	0.001	2	117.3313	0.114	3	118.4518	2.409	9	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-3:C-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(COO)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC){3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(COO)2{2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,3|C<3>,3|H<1>}	116.9420	0.000	1	116.9420	0.000	1	117.3313	0.114	3	118.4518	2.409	9	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-3:C-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(COO)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(COO)2{1|N<3>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<4>,3|H<1>,4|C<3>}	116.2740	0.000	1	117.7365	4.278	2	117.7365	4.278	2	118.4518	2.409	9	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-3:C-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(COO)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|Cl<1>,1|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(COO)2{1|N<3>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<4>,3|H<1>,4|C<3>}	119.1990	0.000	1	117.7365	4.278	2	117.7365	4.278	2	118.4518	2.409	9	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:N-3:C-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CN)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NC[6a]H)(COO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CN){1|Br<1>,1|C<3>,1|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NC[6a]H)(COO){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	119.9550	0.000	1	120.2353	0.060	3	120.2353	0.060	3	118.4518	2.409	9	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:N-3:C-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CN)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NC[6a]H)(COO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CN){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NC[6a]H)(COO){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	120.3755	0.035	2	120.2353	0.060	3	120.2353	0.060	3	118.4518	2.409	9	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-3:C-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(COO)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]N[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[6]CC){1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(COO)2{1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]N[6]HH){1|C<4>,1|H<1>,1|O<2>,1|S<4>,3|C<3>}	118.4460	0.000	1	118.4460	0.000	1	118.4460	0.000	1	117.7190	1.057	2	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:3:3:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C[6]-3:C-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]2H)(C[6]C[6]O)(CN[5]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2C){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]2H)(C[6]C[6]O)(CN[5]O){1|C<4>,2|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2H){1|C<2>,1|C<4>,3|H<1>,5|C<3>}	116.9920	0.000	1	116.9920	0.000	1	116.9920	0.000	1	117.7190	1.057	2	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:3:4:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C[6]-3:C-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]2C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(C[6]C[6]2)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]2C){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(C[6]C[6]2)(CH3){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){2|C<3>,3|C<4>,3|H<1>}	122.0670	0.000	1	121.9775	0.016	2	121.9775	0.016	2	121.9775	0.016	2	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:3:4:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C[6]-3:C-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]2C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(C[6]C[6]2)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]2C){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(C[6]C[6]2)(CH3){1|O<2>,2|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){2|C<3>,2|H<1>,4|C<4>}	121.8880	0.000	1	121.9775	0.016	2	121.9775	0.016	2	121.9775	0.016	2	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:4:1:	3:2:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:N[6a]-2:N[6]-3:	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a,6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(N[6]C[6]C)	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a,6a]H)(C[6]C[6]CH){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(N[6]C[6]C){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	118.9930	0.000	1	118.9930	0.000	1	118.9930	0.000	1	118.9930	0.000	1	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:4:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CHHN)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CHHN)(H){1|H<1>,1|N<2>,1|O<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	118.4640	0.051	2	118.4640	0.003	2	119.8334	1.921	9	119.7791	2.102	66	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:4:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]HH)(CCCH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]S[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|C<4>,1|O<2>,1|S<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]HH)(CCCH)(H){1|H<1>,1|N<2>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]S[6]){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	119.6390	0.000	1	119.6390	0.000	1	119.8334	1.921	9	119.7791	2.102	66	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:4:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]HH)(CCHH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]S[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|S<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]HH)(CCHH)(H){1|H<1>,1|N<2>,1|O<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]S[6]){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	121.2470	0.000	1	119.9160	1.298	5	119.8334	1.921	9	119.7791	2.102	66	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:4:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]HH)(CCHH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]S[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|S<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]HH)(CCHH)(H){1|H<1>,1|N<2>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]S[6]){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	119.5832	0.996	4	119.9160	1.298	5	119.8334	1.921	9	119.7791	2.102	66	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:4:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]HH)(CHHS)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]S[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|S<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]HH)(CHHS)(H){1|H<1>,1|N<2>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]S[6]){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	122.3540	0.000	1	122.3540	0.000	1	119.8334	1.921	9	119.7791	2.102	66	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:4:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6]H)(CCHH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6]H)(CCHH)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	120.7457	1.458	3	119.6704	3.248	5	119.8155	2.368	46	119.7791	2.102	66	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:4:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6]H)(CCHH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6]H)(CCHH)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	118.0575	0.262	2	119.6704	3.248	5	119.8155	2.368	46	119.7791	2.102	66	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:4:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H)(CCHH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H)(CCHH)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	118.2595	1.845	2	118.7713	2.168	6	119.8155	2.368	46	119.7791	2.102	66	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:4:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H)(CCHH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H)(CCHH)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>,2|O<2>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	119.3227	1.674	3	118.7713	2.168	6	119.8155	2.368	46	119.7791	2.102	66	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:4:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H)(CCHH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H)(CCHH)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	118.1410	0.000	1	118.7713	2.168	6	119.8155	2.368	46	119.7791	2.102	66	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:4:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(CHHN)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(CHHN)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	116.6260	0.000	1	116.6260	0.000	1	119.8155	2.368	46	119.7791	2.102	66	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:4:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CCCH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<2>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CCCH)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	120.0420	0.000	1	120.9285	1.572	2	119.8155	2.368	46	119.7791	2.102	66	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:4:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CCCH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CCCH)(H){1|O<2>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,2|C<4>,5|H<1>}	121.8150	0.000	1	120.9285	1.572	2	119.8155	2.368	46	119.7791	2.102	66	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:4:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CCHH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CCHH)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	118.6845	0.425	2	118.4280	0.210	4	119.8155	2.368	46	119.7791	2.102	66	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:4:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CCHH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CCHH)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	117.8660	0.000	1	118.4280	0.210	4	119.8155	2.368	46	119.7791	2.102	66	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:4:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CCHH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH){3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CCHH)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	118.4770	0.000	1	118.4280	0.210	4	119.8155	2.368	46	119.7791	2.102	66	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:4:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CC[6a]2O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CC[6a]2O)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	118.6930	0.000	1	118.6930	0.000	1	119.8155	2.368	46	119.7791	2.102	66	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:4:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CHHN)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CHHN)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	120.6380	0.000	1	120.0360	0.285	3	119.8155	2.368	46	119.7791	2.102	66	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:4:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CHHN)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CHHN)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	119.7350	0.161	2	120.0360	0.285	3	119.8155	2.368	46	119.7791	2.102	66	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:4:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CN)(CCHH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|Br<1>,1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CN)(CCHH)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,3|C<4>,4|H<1>}	119.5540	0.000	1	119.5540	0.000	1	119.8155	2.368	46	119.7791	2.102	66	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:4:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CN)(CHHN)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CN)(CHHN)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	118.7305	0.575	2	118.7305	0.330	2	119.8155	2.368	46	119.7791	2.102	66	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:4:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO)(CCCH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO)(CCCH)(H){1|O<2>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|F<1>,2|C<4>,4|H<1>}	121.3740	0.000	1	121.3740	0.000	1	119.8155	2.368	46	119.7791	2.102	66	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:4:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|Br<1>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	120.1080	0.000	1	120.4080	0.295	4	119.8155	2.368	46	119.7791	2.102	66	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:4:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,3|H<1>,4|C<4>}	121.0730	0.000	1	120.4080	0.295	4	119.8155	2.368	46	119.7791	2.102	66	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:4:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH)(H){1|H<1>,1|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){2|C<4>,3|C<3>,3|H<1>}	119.8470	0.000	1	120.4080	0.295	4	119.8155	2.368	46	119.7791	2.102	66	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:4:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH)(H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	120.6040	0.000	1	120.4080	0.295	4	119.8155	2.368	46	119.7791	2.102	66	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:4:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[6a]2O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH){2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[6a]2O)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	120.4850	0.000	1	120.4850	0.000	1	119.8155	2.368	46	119.7791	2.102	66	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:4:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5a]C[6a])(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5a]C[6a])(O[6]C[6]){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	117.0040	0.000	1	117.0040	0.000	1	119.8155	2.368	46	119.7791	2.102	66	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:4:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CHHN)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CHHN)(H){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	120.5940	0.000	1	120.7205	0.032	2	119.8155	2.368	46	119.7791	2.102	66	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:4:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CHHN)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CHHN)(H){2|C<3>,2|H<1>,2|O<2>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	120.8470	0.000	1	120.7205	0.032	2	119.8155	2.368	46	119.7791	2.102	66	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:4:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CHHN)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CHHN)(H){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(O[6]C[6]){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	119.6210	0.000	1	119.6210	0.000	1	119.8155	2.368	46	119.7791	2.102	66	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:4:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(CCHH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Cl)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(CCHH)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Cl)(O[6]C[6]){1|C<3>,3|C<4>,4|H<1>}	120.4985	0.482	2	120.4985	0.232	2	119.8155	2.368	46	119.7791	2.102	66	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:4:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(CCHH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|Br<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(CCHH)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){2|C<3>,3|C<4>,3|H<1>}	121.0180	0.000	1	121.5810	0.288	5	119.8155	2.368	46	119.7791	2.102	66	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:4:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(CCHH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|Br<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(CCHH)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,3|C<4>,4|H<1>}	122.2800	0.000	1	121.5810	0.288	5	119.8155	2.368	46	119.7791	2.102	66	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:4:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(CCHH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(CCHH)(H){1|O<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){2|C<3>,2|C<4>,4|H<1>}	121.7500	0.000	1	121.5810	0.288	5	119.8155	2.368	46	119.7791	2.102	66	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:4:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(CCHH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(CCHH)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,3|C<4>,4|H<1>}	121.7980	0.000	1	121.5810	0.288	5	119.8155	2.368	46	119.7791	2.102	66	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:4:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(CCHH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(CCHH)(H){1|O<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){2|C<3>,2|C<4>,4|H<1>}	121.0590	0.000	1	121.5810	0.288	5	119.8155	2.368	46	119.7791	2.102	66	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:4:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(CC[6]HN)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(CC[6]HN)(H){1|O<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){2|C<3>,2|C<4>,4|H<1>}	121.0660	0.000	1	121.0660	0.000	1	119.8155	2.368	46	119.7791	2.102	66	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:4:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(CC[6a]CH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(CC[6a]CH)(H){1|O<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){2|C<3>,2|C<4>,4|H<1>}	122.6730	0.000	1	122.6730	0.000	1	119.8155	2.368	46	119.7791	2.102	66	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:4:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CHHN)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CHHN)(H){2|H<1>,2|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	120.8290	0.000	1	120.8290	0.000	1	119.8155	2.368	46	119.7791	2.102	66	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:4:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]I)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CH3)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]I)(C[6]C[6]CH){1|O<2>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CH3)(H){1|I<1>,1|O<1>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|I<1>,1|O<1>,2|C<4>,2|H<1>}	117.4960	0.000	1	117.4960	0.000	1	119.8155	2.368	46	119.7791	2.102	66	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:4:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(CCHH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6])	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(CCHH)(H){1|S<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6]){2|C<3>,2|C<4>,4|H<1>}	120.7330	0.000	1	120.7330	0.000	1	120.7330	0.000	1	119.7791	2.102	66	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:4:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6a]O[6a]O)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6])	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6a]O[6a]O)(C[6]C[6]CH){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH)(H){1|O<1>,2|C<3>,3|O<2>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6]){1|O<1>,2|C<4>,2|H<1>,2|O<2>,3|C<3>}	122.2420	0.000	1	122.2420	0.000	1	122.2420	0.000	1	119.7791	2.102	66	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:4:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]2H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6]H)(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]2H){1|C<4>,3|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6]H)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	120.1630	0.000	1	118.9940	0.655	4	119.1656	0.509	7	119.7791	2.102	66	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:4:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]2H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6]H)(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]2H){1|C<4>,3|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6]H)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	118.6043	0.266	3	118.9940	0.655	4	119.1656	0.509	7	119.7791	2.102	66	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:4:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]2H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H)(C[6]C[6]CO)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]2H){1|Cl<1>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H)(C[6]C[6]CO)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	119.8350	0.000	1	119.8350	0.000	1	119.1656	0.509	7	119.7791	2.102	66	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:4:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]2H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O[6]H)(C[6]C[6]2H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]2H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O[6]H)(C[6]C[6]2H)(H){2|C<3>,2|H<1>,2|O<1>,2|O<2>,3|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	118.6630	0.000	1	118.6630	0.000	1	119.1656	0.509	7	119.7791	2.102	66	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:4:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]2H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O[6]H)(C[6]C[6]CH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]2H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O[6]H)(C[6]C[6]CH)(H){1|C<4>,1|H<1>,2|C<3>,2|O<1>,2|O<2>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	119.6850	0.000	1	119.6850	0.000	1	119.1656	0.509	7	119.7791	2.102	66	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:4:1:	3:3:2:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]CH)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)(CCHO)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]CH){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)(CCHO)(H){1|H<1>,2|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	118.3930	0.000	1	118.3930	0.000	1	119.1345	1.100	2	119.7791	2.102	66	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:4:1:	3:3:2:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]CH)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)(CHHN)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]CH){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)(CHHN)(H){1|C<4>,2|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	119.8760	0.000	1	119.8760	0.000	1	119.1345	1.100	2	119.7791	2.102	66	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:4:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:B[6]-4:C-4:H-1:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]B[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6,6]Br2)(CCCH)(H)	C[6,6a](C[6,6]N[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]B[6]CH){2|Br<1>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6,6]Br2)(CCCH)(H){1|H<1>,4|C<3>}	C[6,6a](C[6,6]N[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|B<4>,1|C<4>,3|C<3>,4|H<1>}	120.1230	0.000	1	120.1230	0.000	1	120.6188	5.265	9	119.4846	3.262	77	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:4:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:B[6]-4:C-4:H-1:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]B[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6,6]C[6a]2)(CCCH)(H)	C[6,6a](C[6,6]N[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]B[6]CH){1|N<3>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6,6]C[6a]2)(CCCH)(H){1|H<1>,8|C<3>}	C[6,6a](C[6,6]N[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|B<4>,1|C<4>,1|N<3>,2|C<3>,4|H<1>}	119.3732	1.139	4	120.7548	8.230	6	120.6188	5.265	9	119.4846	3.262	77	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:4:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:B[6]-4:C-4:H-1:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]B[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6,6]C[6a]2)(CCCH)(H)	C[6,6a](C[6,6]N[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]B[6]CH){1|N<3>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6,6]C[6a]2)(CCCH)(H){1|H<1>,8|C<3>}	C[6,6a](C[6,6]N[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|B<4>,1|C<4>,3|C<3>,4|H<1>}	123.5180	3.789	2	120.7548	8.230	6	120.6188	5.265	9	119.4846	3.262	77	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:4:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:B[6]-4:C-4:H-1:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]B[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6,6]FF)(CCCH)(H)	C[6,6a](C[6,6]N[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]B[6]CH){1|N<3>,2|C<3>,2|F<1>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6,6]FF)(CCCH)(H){1|H<1>,4|C<3>}	C[6,6a](C[6,6]N[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|B<4>,1|C<4>,3|C<3>,4|H<1>}	120.9880	0.000	1	120.9880	0.000	1	120.6188	5.265	9	119.4846	3.262	77	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:4:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:B[6]-4:C-4:H-1:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]B[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6,6]II)(CCCH)(H)	C[6,6a](C[6,6]N[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]B[6]CH){1|N<3>,2|C<3>,2|H<1>,2|I<1>}	C[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6,6]II)(CCCH)(H){1|H<1>,4|C<3>}	C[6,6a](C[6,6]N[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|B<4>,1|C<4>,3|C<3>,4|H<1>}	119.9290	0.000	1	119.9290	0.000	1	120.6188	5.265	9	119.4846	3.262	77	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:4:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]CC)(CCCN)(H)	C[6,6a](C[5a,6]C[5a,6a]C[5a,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CH){2|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]CC)(CCCN)(H){1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[5a,6]C[5a,6a]C[5a,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	120.3170	0.000	1	120.3170	0.000	1	120.3170	0.000	1	119.4846	3.262	77	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:4:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(CCHH)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]CH){3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(CCHH)(H){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	118.9145	0.808	2	118.9145	0.653	2	118.9107	0.327	3	119.4846	3.262	77	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:4:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]O)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(CCHH)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]C)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]O)(C[6]C[6]CH){1|Br<1>,1|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(CCHH)(H){1|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]C){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	118.9030	0.000	1	118.9030	0.000	1	118.9107	0.327	3	119.4846	3.262	77	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:4:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(CC3)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(CC3)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	119.7110	0.000	1	119.7110	0.000	1	120.3750	0.882	2	119.4846	3.262	77	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:4:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(CH3)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(CH3)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	121.0390	0.000	1	121.0390	0.000	1	120.3750	0.882	2	119.4846	3.262	77	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:4:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(CCHO)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[6]CH){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(CCHO)(H){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]N[6]O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	118.2290	0.000	1	118.2290	0.000	1	118.7240	1.879	21	119.4846	3.262	77	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:4:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5a,6a]C)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(CH3)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5a,6a]O)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5a,6a]C)(C[6]C[6]CH){2|H<1>,2|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(CH3)(H){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5a,6a]O)(C[6]C[6]H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	117.8320	0.000	1	117.8320	0.000	1	118.7240	1.879	21	119.4846	3.262	77	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:4:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]CH){1|O<2>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)(H){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	117.8480	0.000	1	117.8480	0.000	1	118.7240	1.879	21	119.4846	3.262	77	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:4:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(CH3)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]O[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]CH){1|C<3>,1|C<4>,1|H<1>,1|O<1>,3|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(CH3)(H){1|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]O[6]O){1|H<1>,2|C<3>,3|C<4>}	116.2005	0.142	2	116.2005	0.020	2	118.7240	1.879	21	119.4846	3.262	77	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:4:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CO)(CH3)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]O[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]CH){1|C<3>,1|C<4>,1|O<1>,4|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CO)(CH3)(H){1|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]O[6]O){1|C<3>,1|H<1>,4|C<4>}	117.8640	0.000	1	117.8640	0.000	1	118.7240	1.879	21	119.4846	3.262	77	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:4:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Cl)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CHHS)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Cl)(C[6]C[6]CH){1|Cl<1>,1|C<3>,1|N<3>,1|O<1>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CHHS)(H){1|Cl<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O){1|Cl<1>,1|C<3>,1|O<2>,2|C<4>,2|H<1>}	120.4470	0.000	1	120.4470	0.000	1	118.7240	1.879	21	119.4846	3.262	77	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:4:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]N[6]H)(CHHO)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]N[6]H)(CHHO)(H){1|C<4>,1|H<1>,1|S<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,3|C<4>,3|H<1>}	119.1000	0.000	1	119.1000	0.000	1	118.7240	1.879	21	119.4846	3.262	77	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:4:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC3)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|O<1>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC3)(H){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){2|C<3>,2|C<4>,3|H<1>}	120.2380	0.856	2	120.2380	0.732	2	118.7240	1.879	21	119.4846	3.262	77	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:4:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCCH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){2|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCCH)(H){1|H<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	117.8900	0.000	1	117.8900	0.000	1	118.7240	1.879	21	119.4846	3.262	77	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:4:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCCH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|O<1>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCCH)(H){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){2|C<3>,2|C<4>,3|H<1>}	118.7410	0.000	1	118.7410	0.000	1	118.7240	1.879	21	119.4846	3.262	77	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:4:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|O<1>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH)(H){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){2|C<3>,2|C<4>,3|H<1>}	120.0840	0.450	2	120.0840	0.202	2	118.7240	1.879	21	119.4846	3.262	77	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:4:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHO)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|C<4>,1|O<1>,2|H<1>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHO)(H){3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]O){1|C<3>,2|C<4>,5|H<1>}	120.9360	0.000	1	120.9360	0.000	1	118.7240	1.879	21	119.4846	3.262	77	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:4:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CHHO)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CHHO)(H){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,2|C<4>,4|H<1>}	119.0450	0.092	2	119.0450	0.008	2	118.7240	1.879	21	119.4846	3.262	77	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:4:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CBrCH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|N<3>,1|O<1>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CBrCH)(H){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,3|C<4>,3|H<1>}	118.6430	0.000	1	118.6430	0.000	1	118.7240	1.879	21	119.4846	3.262	77	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:4:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CCHH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|N<3>,1|O<1>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CCHH)(H){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,3|C<4>,3|H<1>}	118.3050	0.000	1	118.3050	0.000	1	118.7240	1.879	21	119.4846	3.262	77	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:4:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CC[3]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|N<3>,1|O<1>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CC[3]HH)(H){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,3|C<4>,3|H<1>}	116.8480	0.000	1	116.8480	0.000	1	118.7240	1.879	21	119.4846	3.262	77	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:4:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(CCCH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]CH){1|O<1>,2|C<3>,2|H<1>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(CCCH)(H){1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]O){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	119.3870	0.000	1	119.3870	0.000	1	118.7240	1.879	21	119.4846	3.262	77	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:4:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(CH3)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|Cl<1>,1|C<4>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(CH3)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]C){1|C<3>,3|H<1>,4|C<4>}	116.0850	0.000	1	116.0850	0.000	1	119.1836	3.854	21	119.4846	3.262	77	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:4:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CCCH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<4>,1|S<4>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CCCH)(H){1|N<3>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){1|C<3>,2|C<4>,5|H<1>}	119.8180	0.027	2	119.8180	0.001	2	119.1836	3.854	21	119.4846	3.262	77	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:4:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CCHH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CCHH)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	117.9570	0.000	1	117.9570	0.000	1	119.1836	3.854	21	119.4846	3.262	77	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:4:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CS)(CCHH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CS)(CCHH)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	116.9700	0.000	1	116.9700	0.000	1	119.1836	3.854	21	119.4846	3.262	77	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:4:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Br)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|Br<1>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Br)(N[6]C[6]C){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	118.0500	0.000	1	118.0500	0.000	1	119.1836	3.854	21	119.4846	3.262	77	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:4:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|Br<1>,1|C<3>,1|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH)(H){1|N<3>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,2|C<4>,5|H<1>}	120.6610	0.000	1	120.6610	0.000	1	119.1836	3.854	21	119.4846	3.262	77	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:4:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[6a]2O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[6a]2O)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	120.9160	0.000	1	120.9160	0.000	1	119.1836	3.854	21	119.4846	3.262	77	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:4:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|C<4>,1|F<1>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)(H){1|N<3>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){2|C<3>,2|C<4>,4|H<1>}	120.9590	0.000	1	120.8675	0.017	2	119.1836	3.854	21	119.4846	3.262	77	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:4:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,3|H<1>,4|C<4>}	120.7760	0.000	1	120.8675	0.017	2	119.1836	3.854	21	119.4846	3.262	77	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:4:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CHHN)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|C<4>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CHHN)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|F<1>,3|C<4>,3|H<1>}	120.2450	0.000	1	120.2450	0.000	1	119.1836	3.854	21	119.4846	3.262	77	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:4:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(CCHH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|C<4>,1|N<3>,1|S<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(CCHH)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){1|C<3>,3|C<4>,4|H<1>}	117.7720	0.238	2	117.3820	0.485	3	119.1836	3.854	21	119.4846	3.262	77	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:4:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(CCHH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|C<4>,1|N<3>,1|S<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(CCHH)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){1|Cl<1>,1|C<3>,3|C<4>,3|H<1>}	116.6020	0.000	1	117.3820	0.485	3	119.1836	3.854	21	119.4846	3.262	77	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:4:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(CCHO)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(CCHO)(H){1|N<3>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,2|C<4>,5|H<1>}	120.2190	0.000	1	120.2190	0.000	1	119.1836	3.854	21	119.4846	3.262	77	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:4:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(CH3)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|C<4>,1|O<2>,1|S<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(CH3)(H){1|N<3>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){1|C<3>,2|C<4>,5|H<1>}	123.2280	0.000	1	123.2280	0.000	1	119.1836	3.854	21	119.4846	3.262	77	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:4:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HS)(CCHH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]F)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<4>,1|H<1>,1|S<4>,2|C<3>,2|F<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HS)(CCHH)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]F)(N[6]C[6]C){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	117.1830	0.000	1	117.1830	0.000	1	119.1836	3.854	21	119.4846	3.262	77	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:4:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HS)(CCHH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<4>,1|S<4>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HS)(CCHH)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	118.2890	0.000	1	118.2890	0.000	1	119.1836	3.854	21	119.4846	3.262	77	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:4:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]SiH)(CH3)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|Si<4>,1|C<3>,1|C<4>,1|S<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]SiH)(CH3)(H){1|N<3>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){1|C<3>,2|C<4>,5|H<1>}	119.9530	0.000	1	119.9530	0.000	1	119.1836	3.854	21	119.4846	3.262	77	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:4:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CCHH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CCHH)(H){1|N<3>,1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	117.2700	0.000	1	117.2700	0.000	1	119.1836	3.854	21	119.4846	3.262	77	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:4:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]CH)(CCCH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]S[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|O<2>,1|S<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]CH)(CCCH)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]S[6]H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	122.3120	0.000	1	122.3120	0.000	1	119.1836	3.854	21	119.4846	3.262	77	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:4:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]CC)(CH3)(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|H<1>,1|N<3>,2|C<2>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]CC)(CH3)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H){1|C<3>,5|C<4>,5|H<1>}	120.7692	0.729	4	120.7692	0.532	4	120.9340	0.535	5	119.4846	3.262	77	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:4:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(CClHH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(CClHH)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H){1|C<3>,1|O<1>,4|C<4>,4|H<1>}	121.5930	0.000	1	121.5930	0.000	1	120.9340	0.535	5	119.4846	3.262	77	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:4:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)(H){1|N<3>,2|H<1>,3|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]C){2|C<4>,4|C<3>,4|H<1>}	122.2695	0.453	2	122.2695	0.205	2	122.2695	0.205	2	119.4846	3.262	77	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:4:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	N[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(CH3)(H)	C[6,6a](N[5,6]C[5,6a]C[5,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(CH3)(H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6,6a](N[5,6]C[5,6a]C[5,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){3|C<3>,3|C<4>,4|H<1>}	122.2360	0.000	1	122.2360	0.000	1	122.2360	0.000	1	119.4846	3.262	77	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:4:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]CH)(CCHH)(H)	C[6,6a](N[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<2>,1|N<2>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]CH)(CCHH)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6,6a](N[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,2|C<4>,2|N<2>,3|H<1>}	122.1230	0.000	1	122.1230	0.000	1	122.1230	0.000	1	119.4846	3.262	77	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:4:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	N[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]Nb[6,6]HH)(CH3)(H)	C[6,6a](N[6,6]Nb[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]C)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CH){1|Nb<5>,1|C<4>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]Nb[6,6]HH)(CH3)(H){1|H<1>,1|N<2>,1|O<2>,2|C<3>,2|N<3>}	C[6,6a](N[6,6]Nb[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]C){1|N<2>,1|N<3>,1|O<2>,2|C<3>,3|C<4>,3|H<1>}	117.5980	0.199	2	117.5980	0.040	2	117.5980	0.040	2	119.4846	3.262	77	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:4:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6]H)(C[6]C[6a]O[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6]H)(C[6]C[6a]O[6]H)(H){1|O<2>,2|H<1>,8|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]O){1|C<3>,2|C<4>,3|H<1>}	118.3112	0.641	5	118.3112	0.410	5	118.3112	0.410	5	119.4846	3.262	77	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:4:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:P-4:H-1:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HP)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(PC[6a]2O)(H)	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HP){1|C<3>,1|C<4>,1|N<2>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(PC[6a]2O)(H){1|N<3>,1|P<4>,2|C<3>,2|H<1>}	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]H){1|C<4>,2|P<4>,3|C<3>,3|H<1>}	119.7160	0.000	1	119.7160	0.000	1	119.7160	0.000	1	119.4846	3.262	77	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:4:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:S-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HS)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HS){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO)(H){1|N<3>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,1|S<4>,2|C<3>,4|H<1>}	120.0810	0.000	1	120.0810	0.000	1	120.0810	0.000	1	119.4846	3.262	77	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:4:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:P[6]-4:C-4:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]P[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(P[6]C[6,6a]C[6a]O)(CCHH)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]P[6]CH){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(P[6]C[6,6a]C[6a]O)(CCHH)(H){1|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|C<4>,1|P<4>,3|C<3>,4|H<1>}	120.6460	0.000	1	120.6460	0.000	1	120.6460	0.000	1	119.4846	3.262	77	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:4:1:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[5,6]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[5,6]C[6a])(C[6]C[6]CH)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[5,6]HH)(CH3)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[5,6]C[5,6]2)(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[5,6]C[6a])(C[6]C[6]CH){1|C<4>,4|C<3>,4|H<1>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[5,6]HH)(CH3)(H){5|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[5,6]C[5,6]2)(C[6a]C[6a]H){3|C<3>,3|H<1>,4|C<4>}	120.1250	0.000	1	120.1250	0.000	1	120.1250	0.000	1	119.4846	3.262	77	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:4:1:	3:3:4:	C[5a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]C[6])(C[6]C[6]CH)	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]HH)(CH3)(H)	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6a]C[6a]C)(C[6]C[6]HH)	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]C[6])(C[6]C[6]CH){2|C<4>,3|C<3>,5|H<1>}	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]HH)(CH3)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6a]C[6a]C)(C[6]C[6]HH){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	123.6290	0.000	1	123.6290	0.000	1	123.6290	0.000	1	120.8844	3.614	45	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:4:1:	3:3:4:	C[6,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(CClHH)(H)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(C[6]C[6]CC)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(C[6]C[6]CH){1|O<1>,1|O<2>,2|C<3>,2|H<1>,4|C<4>}	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(CClHH)(H){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(C[6]C[6]CC){2|C<3>,2|C<4>,4|H<1>}	119.0483	0.170	3	119.0483	0.029	3	119.0483	0.029	3	120.8844	3.614	45	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:4:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]CH){1|C<4>,1|O<2>,3|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH)(H){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){2|C<3>,2|C<4>,4|H<1>}	119.9050	0.000	1	119.9050	0.000	1	120.7906	1.253	18	120.8844	3.614	45	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:4:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CHHN)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]CH){1|C<3>,1|C<4>,6|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CHHN)(H){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|F<1>,2|C<3>,2|C<4>,3|H<1>}	120.2400	0.000	1	120.2400	0.000	1	120.7906	1.253	18	120.8844	3.614	45	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:4:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CHHO)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CHHO)(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,2|C<4>,5|H<1>}	119.5190	0.437	3	119.5190	0.191	3	120.7906	1.253	18	120.8844	3.614	45	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:4:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,2|C<4>,5|H<1>}	122.6570	0.000	1	122.2975	0.258	2	120.7906	1.253	18	120.8844	3.614	45	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:4:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	121.9380	0.000	1	122.2975	0.258	2	120.7906	1.253	18	120.8844	3.614	45	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:4:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[6a]CC)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|C<4>,6|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[6a]CC)(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,2|C<4>,5|H<1>}	120.8515	0.156	4	120.8515	0.024	4	120.7906	1.253	18	120.8844	3.614	45	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:4:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CHOP)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|C<4>,6|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CHOP)(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,2|C<4>,5|H<1>}	121.3540	0.000	1	121.3540	0.000	1	120.7906	1.253	18	120.8844	3.614	45	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:4:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(CHHO)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(CHHO)(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,2|C<4>,5|H<1>}	122.5880	0.000	1	122.5880	0.000	1	120.7906	1.253	18	120.8844	3.614	45	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:4:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(CN[5]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(CN[5]HH)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	121.8590	0.000	1	121.8590	0.000	1	120.7906	1.253	18	120.8844	3.614	45	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:4:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]C)(CCHH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|O<2>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]C)(CCHH)(H){1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HH){1|C<3>,2|C<4>,3|H<1>}	119.1970	0.000	1	119.1970	0.000	1	120.7906	1.253	18	120.8844	3.614	45	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:4:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CC[6a]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|N<3>,6|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CC[6a]HH)(H){1|H<1>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|C<3>,3|C<4>,3|H<1>}	120.8860	0.000	1	120.8860	0.000	1	120.7906	1.253	18	120.8844	3.614	45	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:4:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CPdHH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|N<4>,6|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CPdHH)(H){1|H<1>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|Pd<4>,1|C<3>,3|C<4>,3|H<1>}	119.6270	0.000	1	119.6270	0.000	1	120.7906	1.253	18	120.8844	3.614	45	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:4:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CHHO)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]CH){1|C<3>,1|C<4>,6|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CHHO)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	122.0170	0.000	1	122.0170	0.000	1	120.7906	1.253	18	120.8844	3.614	45	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:4:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:S[6]-4:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CCHH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]N[6]OO)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|C<4>,1|N<3>,2|O<1>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CCHH)(H){1|S<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]N[6]OO){1|C<3>,2|C<4>,4|H<1>}	124.1380	0.000	1	124.1380	0.000	1	124.1380	0.000	1	120.8844	3.614	45	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:4:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[6]CC)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){2|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[6]CC){2|C<4>,3|C<3>,5|H<1>}	123.2380	0.564	3	123.2380	0.319	3	119.8054	6.338	10	120.8844	3.614	45	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:4:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)(H){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H){1|O<2>,1|S<4>,2|C<4>,3|H<1>,5|C<3>}	118.0990	0.404	2	118.3343	0.985	7	119.8054	6.338	10	120.8844	3.614	45	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:4:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)(H){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H){1|S<4>,2|C<4>,4|H<1>,5|C<3>}	118.4284	1.182	5	118.3343	0.985	7	119.8054	6.338	10	120.8844	3.614	45	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:4:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6]H)(C[6]C[6a]O[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2H){1|C<4>,1|O<2>,3|C<3>,6|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6]H)(C[6]C[6a]O[6]H)(H){1|C<4>,1|O<2>,2|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HH){1|C<3>,2|C<4>,3|H<1>}	120.9590	0.000	1	120.9590	0.000	1	120.9590	0.000	1	120.8844	3.614	45	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:4:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:N-4:H-1:	C[6,6a]-3:C[6a]-3:S[6]-4:	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]HN)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(NCHH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]N[6]OO)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]HN){1|C<3>,1|N<3>,2|O<1>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(NCHH)(H){1|S<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]N[6]OO){1|C<3>,1|C<4>,1|N<4>,4|H<1>}	122.5790	0.884	2	122.5790	0.781	2	122.5790	0.781	2	120.8844	3.614	45	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:4:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]N[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]CC)(CC[6a]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]N[6]CH){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]CC)(CC[6a]HH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<4>,1|O<2>,4|H<1>}	121.5910	0.000	1	121.5910	0.000	1	121.7198	0.576	5	120.8844	3.614	45	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:4:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]CC)(CC[6a]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]CC)(CC[6a]HH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<4>,1|O<2>,4|H<1>}	122.5700	0.000	1	122.5700	0.000	1	121.7198	0.576	5	120.8844	3.614	45	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:4:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]CH)(CCHH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]CH)(CCHH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<4>,5|H<1>}	120.6080	0.000	1	120.6080	0.000	1	121.7198	0.576	5	120.8844	3.614	45	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:4:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]N[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]HH)(CH3)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]N[6]CH){1|C<4>,2|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]HH)(CH3)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|N<4>,2|C<4>,2|H<1>,2|O<2>}	121.9150	0.503	2	121.9150	0.253	2	121.7198	0.576	5	120.8844	3.614	45	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:4:1:	3:3:4:	C[6,6a]-3:N[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(CH3)(H)	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]H)(C[6]C[6]CH){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(CH3)(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH){1|C<2>,2|C<4>,3|C<3>,4|H<1>}	126.0940	0.000	1	126.0940	0.000	1	126.0940	0.000	1	120.8844	3.614	45	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:4:1:	3:3:4:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[6]CH)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]N[6]HH)(CHHI)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]C)(C[6]N[6]HH)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[6]CH){1|N<3>,4|C<3>,5|H<1>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]N[6]HH)(CHHI)(H){1|C<4>,1|S<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]C)(C[6]N[6]HH){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	120.5967	0.659	3	120.5967	0.434	3	120.5967	0.434	3	120.8844	3.614	45	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:4:1:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]C)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[5,6]C[5]2C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]C)(C[6]C[6]CH){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)(H){1|Br<1>,1|H<1>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[5,6]C[5]2C[6])(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|O<1>,5|C<4>,5|H<1>}	121.2260	0.000	1	121.2260	0.000	2	122.1655	1.862	4	122.0114	2.706	13	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:4:1:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]C)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[5,6]C[5]2C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]C)(C[6]C[6]CH){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)(H){1|F<1>,1|H<1>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[5,6]C[5]2C[6])(C[6a]C[6a]H){1|C<3>,1|F<1>,1|O<1>,5|C<4>,5|H<1>}	121.2260	0.000	1	121.2260	0.000	2	122.1655	1.862	4	122.0114	2.706	13	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:4:1:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]F)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[5,6]C[5]2C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]F)(C[6]C[6]CH){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)(H){1|C<4>,1|H<1>,2|C<3>,2|F<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[5,6]C[5]2C[6])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|F<1>,4|C<4>,5|H<1>}	124.1190	0.000	1	124.1190	0.000	1	122.1655	1.862	4	122.0114	2.706	13	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:4:1:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[5,6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[5,6]C[5]2C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]CH){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)(H){1|C<4>,1|F<1>,1|H<1>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[5,6]C[5]2C[6])(C[6a]C[6a]H){1|C<3>,1|F<1>,1|O<1>,1|O<2>,4|C<4>,5|H<1>}	122.0910	0.000	1	122.0910	0.000	1	122.1655	1.862	4	122.0114	2.706	13	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:4:1:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCCH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6,6]C[6]2O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCCH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6,6]C[6]2O[6])(C[6a]C[6a]H){2|C<3>,3|C<4>,7|H<1>}	123.2160	0.000	1	123.2160	0.000	1	123.2160	0.000	1	122.0114	2.706	13	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:4:1:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[5,6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[6]CH){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)(H){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[5,6a]H){1|O<2>,1|S<4>,2|C<4>,3|C<3>,3|H<1>}	122.4070	0.000	1	122.4070	0.000	1	121.6997	4.937	6	122.0114	2.706	13	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:4:1:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CNiHH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]NiO)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|Ni<5>,1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CNiHH)(H){1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]NiO)(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	117.6630	0.000	1	117.6630	0.000	1	121.6997	4.937	6	122.0114	2.706	13	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:4:1:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)(H){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|O<2>,1|S<4>,2|C<4>,3|C<3>,3|H<1>}	120.6390	0.000	1	122.4800	2.544	3	121.6997	4.937	6	122.0114	2.706	13	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:4:1:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)(H){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|O<2>,2|C<4>,3|H<1>,4|C<3>}	123.4005	0.069	2	122.4800	2.544	3	121.6997	4.937	6	122.0114	2.706	13	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:4:1:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]CH){1|C<4>,2|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)(H){1|C<4>,1|H<1>,1|O<2>,1|S<4>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|S<4>,2|C<4>,2|H<1>,2|O<2>,3|C<3>}	122.6880	0.000	1	122.6880	0.000	1	121.6997	4.937	6	122.0114	2.706	13	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:4:1:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:N-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HN)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NCHH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HN){1|C<4>,2|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NCHH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<4>,1|N<4>,3|C<3>,5|H<1>}	122.0360	0.249	2	122.0360	0.062	2	122.0360	0.062	2	122.0114	2.706	13	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:4:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]HH)(CCCH)(H)	C[6,6a](C[3,6]C[3,6]C[3]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]HH)(CCCH)(H){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[3,6]C[3,6]C[3]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	120.5920	0.000	1	120.5920	0.000	1	120.6090	0.003	3	121.0113	0.200	6	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:4:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]HH)(CH3)(H)	C[6,6a](C[3,6]C[3,6]C[3]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]HH)(CH3)(H){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[3,6]C[3,6]C[3]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	120.6175	0.069	2	120.6175	0.005	2	120.6090	0.003	3	121.0113	0.200	6	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:4:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]CH)(CCHH)(H)	C[6,6a](C[5,6]C[5,6]C[5]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]CH)(CCHH)(H){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[5,6]C[5,6]C[5]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	121.3550	0.000	1	121.3550	0.000	1	121.3525	0.000	2	121.0113	0.200	6	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:4:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CHHN)(H)	C[6,6a](C[5,6]C[5]C[6]O[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CHHN)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6,6a](C[5,6]C[5]C[6]O[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,3|C<3>,3|C<4>,4|H<1>}	121.3500	0.000	1	121.3500	0.000	1	121.3525	0.000	2	121.0113	0.200	6	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:4:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3x6]HH)(CHHN)(H)	C[6,6a](C[6,6]C[3x6]C[6]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3x6]HH)(CHHN)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6]C[3x6]C[6]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	121.5360	0.000	1	121.5360	0.000	1	121.5360	0.000	1	121.0113	0.200	6	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:4:2:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:O-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CC[6a]2H)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CO){1|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CC[6a]2H)(OH){1|O<2>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	120.1035	0.984	2	120.1035	0.967	2	120.4173	0.779	3	120.4173	0.779	3	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:4:2:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:O-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[5a]CH)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CO){1|C<3>,1|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[5a]CH)(OH){1|O<2>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	121.0450	0.000	1	121.0450	0.000	1	120.4173	0.779	3	120.4173	0.779	3	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:4:2:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:O-2:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]CO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HN)(CCCH)(OH)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]CO){1|N<2>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HN)(CCCH)(OH){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	120.6780	0.000	1	120.6780	0.000	1	120.6780	0.000	1	121.5520	2.899	8	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:4:2:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:O-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(CH3)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CO){2|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(CH3)(OH){3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	123.2020	0.000	1	123.2020	0.000	1	121.9410	4.661	3	121.5520	2.899	8	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:4:2:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:O-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N[6]H)(CH3)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CO){1|F<1>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N[6]H)(CH3)(OH){2|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|F<1>,1|O<2>,2|C<4>,2|H<1>}	119.4480	0.000	1	119.4480	0.000	1	121.9410	4.661	3	121.5520	2.899	8	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:4:2:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:O-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]CO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6]H)(CH3)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]CO){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6]H)(CH3)(OH){1|C<4>,1|H<1>,2|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|H<1>,3|C<4>,3|O<2>}	123.1730	0.000	1	123.1730	0.000	1	121.9410	4.661	3	121.5520	2.899	8	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:4:2:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:O-2:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]FF)(CF3)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CO){1|C<3>,1|C<4>,1|O<2>,2|F<1>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]FF)(CF3)(OH){1|N<3>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	119.4160	0.000	1	119.4160	0.000	1	121.4787	3.245	4	121.5520	2.899	8	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:4:2:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:O-2:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CF3)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CO){2|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CF3)(OH){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<4>}	120.5210	0.000	1	120.5210	0.000	1	121.4787	3.245	4	121.5520	2.899	8	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:4:2:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:O-2:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CO){1|S<4>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)(OH){1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	122.9890	0.014	2	122.9890	0.000	2	121.4787	3.245	4	121.5520	2.899	8	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:4:2:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[5]-4:C[6]-4:O-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N[5])(C[6]C[5]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]O[5]H)(C[6]C[6]HH)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N[5])(C[6]C[5]C[6]O){1|O<2>,2|C<4>,4|C<3>,6|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]O[5]H)(C[6]C[6]HH)(OH){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH){1|N<3>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	119.8620	0.000	1	119.8620	0.000	1	119.9903	0.555	3	120.2649	1.013	9	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:4:2:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[5]-4:C[6]-4:O-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N[6])(C[6]C[5]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]O[5]H)(C[6]C[6]HH)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N[6])(C[6]C[5]C[6]O){1|O<2>,2|C<4>,3|C<3>,7|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]O[5]H)(C[6]C[6]HH)(OH){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|N<3>,1|O<2>,2|C<4>,3|H<1>}	120.0545	1.042	2	120.0545	1.085	2	119.9903	0.555	3	120.2649	1.013	9	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:4:2:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:O-2:	C[6,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(CH3)(OH)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CO){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(CH3)(OH){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(C[6]C[6]HH){1|O<1>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	121.1600	0.000	1	121.1600	0.000	1	121.1600	0.000	1	120.2649	1.013	9	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:4:2:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:O-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCFF)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CO){1|C<3>,1|C<4>,6|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCFF)(OH){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	121.3960	0.000	1	121.3960	0.000	1	120.2085	2.820	2	120.2649	1.013	9	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:4:2:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:O-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(CCHH)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CO){1|N<3>,2|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(CCHH)(OH){1|C<4>,1|H<1>,1|S<4>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|C<3>,1|O<2>,1|S<4>,2|C<4>,2|H<1>}	119.0210	0.000	1	119.0210	0.000	1	120.2085	2.820	2	120.2649	1.013	9	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:4:2:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C[6]-4:C-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[3,6]O)(C[6]C[6]HH)(CN)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2C){2|C<3>,2|C<4>,2|O<2>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[3,6]O)(C[6]C[6]HH)(CN){1|O<2>,2|C<4>,4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH){1|C<2>,1|C<3>,2|C<4>,4|H<1>}	120.9490	0.666	2	120.9490	0.444	2	120.9490	0.444	2	120.2649	1.013	9	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:4:2:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C[6]-4:O-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N[6]H)(C[6]C[6]HH)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2O){1|C<3>,1|N<3>,2|C<4>,7|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N[6]H)(C[6]C[6]HH)(OH){1|F<1>,2|C<4>,4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	118.9380	0.000	1	118.9380	0.000	1	118.9380	0.000	1	120.2649	1.013	9	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:4:2:	3:4:2:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:O-2:	C[6,6a]-3:C[5,6]-4:O[6a]-2:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[5,6]O[6a])(C[6]C[6]CO)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)(CH3)(OH)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[5,6]C[5]C[6]O[5])(O[6a]C[6a])	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[5,6]O[6a])(C[6]C[6]CO){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)(CH3)(OH){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[5,6]C[5]C[6]O[5])(O[6a]C[6a]){1|O<1>,2|O<2>,3|C<3>,3|C<4>,3|H<1>}	120.2910	0.000	1	120.2910	0.000	1	120.2910	0.000	1	120.2910	0.000	1	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:4:3:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:C-3:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(CH3)(CCH)	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CC){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(CH3)(CCH){1|N<3>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,3|H<1>,4|C<3>}	122.2560	0.000	1	122.2560	0.000	1	122.2560	0.000	1	122.2560	0.000	1	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:4:3:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:C-3:	C[6,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)(COO)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|C<4>,2|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)(COO){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(C[6]C[6]HH){1|O<1>,2|C<4>,3|H<1>,4|C<3>}	122.6875	0.569	2	122.6875	0.324	2	123.7400	1.042	5	122.6823	2.146	9	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:4:3:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:C-3:	C[6,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)(COO)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(C[6]C[6]CH)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(C[6]C[6]CC){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)(COO){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(C[6]C[6]CH){1|O<1>,1|O<2>,2|C<3>,2|H<1>,4|C<4>}	124.4417	0.275	3	124.4417	0.075	3	123.7400	1.042	5	122.6823	2.146	9	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:4:3:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:N-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CN)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[6a]HH)(NHS)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CN){1|Br<1>,1|C<3>,1|C<4>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[6a]HH)(NHS){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	121.5150	0.000	1	121.5150	0.000	1	121.5150	0.000	1	122.6823	2.146	9	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:4:3:	3:3:4:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:C-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[6]CC)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)(CH3)(COO)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[6]CC){2|C<4>,3|C<3>,5|H<1>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)(CH3)(COO){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){2|C<4>,3|C<3>,3|H<1>}	121.3087	0.440	3	121.3087	0.194	3	121.3087	0.194	3	122.6823	2.146	9	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:4:4:	3:3:2:	C[5a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6,6]-4:C-4:C-4:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a](C[5a,6a]C[5a,6a]2)(C[6,6a]C[6a]N[6])(C[6]C[6,6]CC)	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6]C[6,6]C[6]H)(CH3)2	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6])	C[6,6a](C[5a,6a]C[5a,6a]2)(C[6,6a]C[6a]N[6])(C[6]C[6,6]CC){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6]C[6,6]C[6]H)(CH3)2{1|N<2>,2|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]){2|C<3>,2|H<1>,4|C<4>}	120.8120	0.000	1	120.8120	0.000	1	120.8120	0.000	1	120.8467	4.428	39	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:4:4:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|C<4>,1|I<1>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2{1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6]){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	118.1900	0.000	1	118.1900	0.000	1	118.1900	0.000	1	120.8467	4.428	39	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:4:4:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[5,6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(CH3)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(O[6]C[6,6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[5,6a]H)(C[6]C[6]CC){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(CH3)2{1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(O[6]C[6,6]){1|H<1>,1|O<2>,2|C<3>,4|C<4>}	121.6935	0.132	2	121.6935	0.017	2	120.5902	4.906	28	120.8467	4.428	39	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:4:4:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]C)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]C)(C[6]C[6]CC){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2{1|C<4>,1|O<1>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6]){1|C<3>,1|O<1>,5|C<4>}	116.8940	0.127	4	116.8940	0.016	4	120.5902	4.906	28	120.8467	4.428	39	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:4:4:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(CH3)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C[5])(O[6]C[6,6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CC){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(CH3)2{1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C[5])(O[6]C[6,6]){1|C<3>,1|N<2>,2|H<1>,2|O<2>,4|C<4>}	121.9660	0.223	2	121.9660	0.050	2	120.5902	4.906	28	120.8467	4.428	39	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:4:4:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(CH3)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|C<3>,1|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(CH3)2{1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<3>,1|H<1>,1|O<2>,5|C<4>}	122.2950	0.000	1	122.2950	0.000	1	120.5902	4.906	28	120.8467	4.428	39	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:4:4:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(CH3)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]P)(O[6]C[6,6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|C<3>,1|P<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(CH3)2{1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]P)(O[6]C[6,6]){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	122.0400	0.220	4	122.1373	0.058	6	120.5902	4.906	28	120.8467	4.428	39	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:4:4:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(CH3)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]P)(O[6]C[6,6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|C<3>,1|P<4>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(CH3)2{1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]P)(O[6]C[6,6]){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	122.3320	0.178	2	122.1373	0.058	6	120.5902	4.906	28	120.8467	4.428	39	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:4:4:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(CH3)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]P[6])(O[6]C[6,6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|C<3>,1|P<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(CH3)2{1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]P[6])(O[6]C[6,6]){1|O<2>,2|H<1>,3|C<3>,4|C<4>}	122.1905	0.087	2	122.1905	0.008	2	120.5902	4.906	28	120.8467	4.428	39	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:4:4:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[6a]2O)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CC){2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[6a]2O)(CH3){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	120.3860	0.000	1	120.3860	0.000	1	120.5902	4.906	28	120.8467	4.428	39	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:4:4:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|Cl<1>,1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(O[6]C[6]){1|C<3>,2|H<1>,5|C<4>}	121.5980	0.000	1	120.9166	3.565	8	120.5902	4.906	28	120.8467	4.428	39	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:4:4:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|Cl<1>,1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2{1|H<1>,1|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(O[6]C[6]){2|H<1>,3|C<3>,3|C<4>}	120.6030	0.030	2	120.9166	3.565	8	120.5902	4.906	28	120.8467	4.428	39	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:4:4:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(O[6]C[6]){1|C<3>,2|H<1>,5|C<4>}	120.6573	2.772	4	120.9166	3.565	8	120.5902	4.906	28	120.8467	4.428	39	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:4:4:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2{1|H<1>,1|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(O[6]C[6]){2|H<1>,3|C<3>,3|C<4>}	121.9000	0.000	1	120.9166	3.565	8	120.5902	4.906	28	120.8467	4.428	39	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:4:4:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]N)(CH3)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]N)(CH3)2{1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	117.2060	0.198	2	117.2060	0.039	2	120.5902	4.906	28	120.8467	4.428	39	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:4:4:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CH3)2	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6])	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CC){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CH3)2{1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6]){1|O<1>,2|H<1>,3|C<3>,3|C<4>}	118.6550	0.000	1	118.6550	0.000	1	121.9437	2.009	9	120.8467	4.428	39	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:4:4:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CHHI)(CH3)	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a]C[6])(O[6]C[6])	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|Cl<1>,1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CHHI)(CH3){1|O<2>,2|H<1>,3|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a]C[6])(O[6]C[6]){2|H<1>,3|C<4>,4|C<3>}	121.3125	0.153	2	121.3125	0.024	2	121.9437	2.009	9	120.8467	4.428	39	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:4:4:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6a]O[6a]O)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(CH3)2	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6,6])	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6a]O[6a]O)(C[6]C[6]CC){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(CH3)2{1|O<1>,2|O<2>,3|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6,6]){1|H<1>,1|O<1>,1|O<2>,3|C<4>,4|C<3>}	123.0237	0.160	3	123.0237	0.026	3	121.9437	2.009	9	120.8467	4.428	39	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:4:4:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6a]O[6a]O)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6])	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6a]O[6a]O)(C[6]C[6]CC){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|O<2>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6]){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,4|C<4>}	122.2160	0.389	2	122.3807	0.157	3	121.9437	2.009	9	120.8467	4.428	39	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:4:4:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6a]O[6a]O)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6])	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6a]O[6a]O)(C[6]C[6]CC){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2{1|C<4>,1|O<1>,2|C<3>,2|O<2>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6]){1|H<1>,1|O<1>,1|O<2>,3|C<3>,4|C<4>}	122.7100	0.000	1	122.3807	0.157	3	121.9437	2.009	9	120.8467	4.428	39	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:4:4:	3:3:3:	C[5a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[5,6]-4:C-4:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[5a,6a]C[5a,6a]2)(C[6,6a]C[6a]N[6])(C[6]C[5,6]CC)	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[5,6]C[5,6]C[5]H)(CH3)2	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]H)	C[6,6a](C[5a,6a]C[5a,6a]2)(C[6,6a]C[6a]N[6])(C[6]C[5,6]CC){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[5,6]C[5,6]C[5]H)(CH3)2{2|N<3>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]H){2|H<1>,3|C<3>,3|C<4>}	120.8293	0.766	3	120.8293	0.587	3	120.8293	0.587	3	120.0010	2.122	29	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:4:4:	3:3:3:	C[5a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6,6]-4:C-4:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[5a,6a]C[5a,6a]2)(C[6,6a]C[6a]N[6])(C[6]C[6,6]CC)	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6]C[6,6]C[6]H)(CH3)2	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]H)	C[6,6a](C[5a,6a]C[5a,6a]2)(C[6,6a]C[6a]N[6])(C[6]C[6,6]CC){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6]C[6,6]C[6]H)(CH3)2{1|N<3>,1|O<2>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]H){2|H<1>,3|C<3>,3|C<4>}	120.4150	0.577	3	120.1410	0.522	4	120.1410	0.522	4	120.0010	2.122	29	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:4:4:	3:3:3:	C[5a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6,6]-4:C-4:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[5a,6a]C[5a,6a]2)(C[6,6a]C[6a]N[6])(C[6]C[6,6]CC)	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6]C[6,6]C[6]H)(CH3)2	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]H)	C[6,6a](C[5a,6a]C[5a,6a]2)(C[6,6a]C[6a]N[6])(C[6]C[6,6]CC){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6]C[6,6]C[6]H)(CH3)2{1|N<3>,2|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]H){2|C<3>,2|H<1>,4|C<4>}	119.3190	0.000	1	120.1410	0.522	4	120.1410	0.522	4	120.0010	2.122	29	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:4:4:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:B[6]-4:C-4:C-4:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(C[6]B[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(B[6]C[5,6]HN)(CH3)2	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]C)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(C[6]B[6]CC){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(B[6]C[5,6]HN)(CH3)2{1|H<1>,2|C<3>,2|N<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]C){1|B<4>,1|N<3>,2|C<3>,2|C<4>,3|H<1>}	120.0310	0.000	1	120.0310	0.000	1	120.0310	0.000	1	120.0010	2.122	29	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:4:4:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(CH3)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]CC){3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(CH3)2{1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){3|C<3>,3|C<4>,3|H<1>}	119.6010	0.000	1	119.6010	0.000	1	119.6010	0.000	1	120.0010	2.122	29	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:4:4:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(CH3)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(CH3)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	121.6910	0.000	1	121.6910	0.000	1	121.6910	0.000	1	120.0010	2.122	29	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:4:4:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2{1|Br<1>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]O){1|Br<1>,2|C<3>,2|H<1>,3|C<4>}	123.5490	0.000	1	123.5490	0.000	1	119.7100	3.056	9	120.0010	2.122	29	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:4:4:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|O<1>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2{1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){2|C<3>,2|H<1>,3|C<4>}	121.5970	0.000	1	121.5970	0.000	1	119.7100	3.056	9	120.0010	2.122	29	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:4:4:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(CCHN)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|O<2>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(CCHN)(CH3){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,2|H<1>,4|C<4>}	118.4695	0.022	2	118.4695	0.000	2	119.7100	3.056	9	120.0010	2.122	29	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:4:4:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(CCHH)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]Si)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|Si<4>,1|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(CCHH)(CH3){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]Si){1|C<3>,3|C<4>,3|H<1>}	118.8505	0.636	2	118.8505	0.404	2	119.7100	3.056	9	120.0010	2.122	29	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:4:4:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CCHH)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|C<3>,1|N<3>,1|O<1>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CCHH)(CH3){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,2|H<1>,4|C<4>}	119.3735	0.483	2	119.3735	0.233	2	119.7100	3.056	9	120.0010	2.122	29	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:4:4:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CCHH)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|C<3>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CCHH)2{1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,2|H<1>,4|C<4>}	118.8570	0.000	1	118.8570	0.000	1	119.7100	3.056	9	120.0010	2.122	29	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:4:4:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|C<3>,1|I<1>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2{1|N<3>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6]H){1|C<3>,3|C<4>,4|H<1>}	119.7060	1.860	2	119.3387	2.134	3	119.0078	1.043	6	120.0010	2.122	29	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:4:4:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|C<4>,1|I<1>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2{1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6]H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	118.6040	0.000	1	119.3387	2.134	3	119.0078	1.043	6	120.0010	2.122	29	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:4:4:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|B<3>,1|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2{1|N<3>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,3|C<4>,4|H<1>}	118.8235	0.404	2	118.8235	0.163	2	119.0078	1.043	6	120.0010	2.122	29	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:4:4:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|I<1>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2{1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	118.3840	0.000	1	118.3840	0.000	1	119.0078	1.043	6	120.0010	2.122	29	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:4:4:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6,6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH)2	C[6,6a](C[6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6,6a]H)(C[6]C[6]CC){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH)2{1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6,6a](C[6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]H){1|H<1>,1|N<3>,3|C<3>,5|C<4>}	122.6815	0.197	2	122.6815	0.039	2	122.6815	0.039	2	120.0010	2.122	29	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:4:4:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6]-4:C-4:C-4:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]N[6a]C)(C[6]N[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]HH)(CH3)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]N[6a]C)(C[6]N[6]CC){3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]HH)(CH3)2{1|C<4>,1|N<2>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<2>,1|N<4>,2|C<3>,2|H<1>,3|C<4>}	119.1840	0.000	1	119.1840	0.000	1	119.1840	0.000	1	120.0010	2.122	29	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:4:4:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[5,6]-4:C-4:C-4:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]C[6])(C[6]C[5,6]CC)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6]C[5]H)(CH3)2	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]C[6])(C[6]C[5,6]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]C[6])(C[6]C[5,6]CC){1|C<4>,3|H<1>,5|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6]C[5]H)(CH3)2{2|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]C[6])(C[6]C[5,6]H){1|H<1>,4|C<3>,4|C<4>}	119.6690	0.000	1	119.6690	0.000	1	119.6690	0.000	1	120.0010	2.122	29	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:4:4:	3:3:4:	C[5,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[5,6a]C[5,6,6a]C[5])(C[6,6a]C[6a]C[6])(C[6]C[6]CC)	C[6](C[6,6a]C[5,6a]C[6,6a])(C[6]C[6]HH)(CH3)2	C[6,6a](C[6,6a]C[5,6a]C[6])(C[6a]C[6,6a]H)(C[6]C[6]CC)	C[6,6a](C[5,6a]C[5,6,6a]C[5])(C[6,6a]C[6a]C[6])(C[6]C[6]CC){2|C<3>,4|H<1>,5|C<4>}	C[6](C[6,6a]C[5,6a]C[6,6a])(C[6]C[6]HH)(CH3)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[5,6a]C[6])(C[6a]C[6,6a]H)(C[6]C[6]CC){1|C<3>,2|H<1>,5|C<4>}	121.0800	0.000	1	121.0800	0.000	1	121.0800	0.000	1	122.6798	1.682	52	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:4:4:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[5,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[5,6a]C[6])(C[6a]C[6,6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2	C[6,6a](C[5,6a]C[5,6,6a]C[5])(C[6,6a]C[6a]C[6])(C[6]C[6]CC)	C[6,6a](C[6,6a]C[5,6a]C[6])(C[6a]C[6,6a]H)(C[6]C[6]CC){1|C<3>,2|H<1>,5|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[5,6a]C[5,6,6a]C[5])(C[6,6a]C[6a]C[6])(C[6]C[6]CC){2|C<3>,4|H<1>,5|C<4>}	124.9220	0.000	1	124.9220	0.000	1	124.9220	0.000	1	122.6798	1.682	52	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:4:4:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(C[6]C[6]HH){1|C<3>,5|C<4>,5|H<1>}	122.7610	0.000	1	123.0547	0.225	3	123.2002	0.235	4	122.6798	1.682	52	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:4:4:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(C[6]C[6]HH){2|F<1>,3|C<3>,3|C<4>,3|H<1>}	122.8010	0.000	1	123.0547	0.225	3	123.2002	0.235	4	122.6798	1.682	52	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:4:4:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|C<4>,2|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(C[6]C[6]HH){1|O<1>,2|C<3>,3|H<1>,4|C<4>}	123.6020	0.000	1	123.0547	0.225	3	123.2002	0.235	4	122.6798	1.682	52	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:4:4:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(CH3)2	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(CH3)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(C[6]C[6]HH){1|C<3>,5|C<4>,5|H<1>}	123.6370	0.000	1	123.6370	0.000	1	123.2002	0.235	4	122.6798	1.682	52	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:4:4:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[6]CC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[6]CC){1|C<3>,3|H<1>,4|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[6]CC){2|C<3>,3|C<4>,3|H<1>}	121.7925	0.207	4	122.7458	1.081	8	122.5910	1.752	44	122.6798	1.682	52	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:4:4:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[6]CC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[6]CC){2|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[6]CC){1|C<3>,3|H<1>,4|C<4>}	123.6990	0.238	4	122.7458	1.081	8	122.5910	1.752	44	122.6798	1.682	52	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:4:4:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]C)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]H)(C[6]C[6]CC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]C)(C[6]C[6]CC){1|C<3>,3|H<1>,4|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2{1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]H)(C[6]C[6]CC){2|C<3>,2|H<1>,4|C<4>}	119.5025	0.183	2	119.5025	0.034	2	122.5910	1.752	44	122.6798	1.682	52	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:4:4:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]C)(C[6]C[6]CC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]H)(C[6]C[6]CC){2|C<3>,2|H<1>,4|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]C)(C[6]C[6]CC){1|C<3>,3|H<1>,4|C<4>}	125.4860	0.392	2	125.4860	0.153	2	122.5910	1.752	44	122.6798	1.682	52	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:4:4:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6]CC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6]CC){2|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6]CC){2|C<3>,3|C<4>,3|H<1>}	122.2805	0.786	2	122.2805	0.617	2	122.5910	1.752	44	122.6798	1.682	52	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:4:4:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Br)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CH3)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Br)(C[6]C[6]CC){1|C<3>,2|H<1>,5|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CH3)2{1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|Br<1>,2|C<3>,2|H<1>,3|C<4>}	121.5610	0.709	4	121.5610	0.503	4	122.5910	1.752	44	122.6798	1.682	52	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:4:4:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH)(CH3){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,3|H<1>,4|C<4>}	121.0035	1.145	2	121.0035	1.311	2	122.5910	1.752	44	122.6798	1.682	52	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:4:4:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Br)(C[6]C[6]CC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|Br<1>,2|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Br)(C[6]C[6]CC){1|C<3>,2|H<1>,5|C<4>}	123.6585	0.200	4	123.6585	0.040	4	122.5910	1.752	44	122.6798	1.682	52	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:4:4:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|C<4>,2|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]HH){2|C<3>,3|C<4>,3|H<1>}	122.7160	0.000	1	122.7160	0.000	1	122.5910	1.752	44	122.6798	1.682	52	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:4:4:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|C<4>,2|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2{1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2H){1|S<4>,3|C<3>,3|C<4>,3|H<1>}	123.2310	0.000	1	123.2310	0.000	1	122.5910	1.752	44	122.6798	1.682	52	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:4:4:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|Br<1>,1|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|C<3>,3|C<4>,4|H<1>}	123.0930	0.000	1	122.9641	0.277	14	122.5910	1.752	44	122.6798	1.682	52	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:4:4:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|C<2>,1|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|C<3>,3|C<4>,4|H<1>}	123.2717	0.170	3	122.9641	0.277	14	122.5910	1.752	44	122.6798	1.682	52	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:4:4:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|C<3>,1|I<1>,3|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|C<3>,3|C<4>,4|H<1>}	123.4670	0.000	1	122.9641	0.277	14	122.5910	1.752	44	122.6798	1.682	52	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:4:4:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|C<3>,3|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|Br<1>,1|C<3>,3|C<4>,3|H<1>}	123.1410	0.000	1	122.9641	0.277	14	122.5910	1.752	44	122.6798	1.682	52	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:4:4:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|C<3>,3|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|C<2>,1|C<3>,3|C<4>,3|H<1>}	122.3047	0.158	3	122.9641	0.277	14	122.5910	1.752	44	122.6798	1.682	52	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:4:4:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|C<3>,3|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|C<3>,1|I<1>,3|C<4>,3|H<1>}	122.3170	0.000	1	122.9641	0.277	14	122.5910	1.752	44	122.6798	1.682	52	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:4:4:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|C<3>,3|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|C<3>,3|H<1>,4|C<4>}	123.6640	0.000	1	122.9641	0.277	14	122.5910	1.752	44	122.6798	1.682	52	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:4:4:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|C<3>,3|H<1>,4|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|C<3>,3|C<4>,4|H<1>}	122.4410	0.000	1	122.9641	0.277	14	122.5910	1.752	44	122.6798	1.682	52	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:4:4:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|C<3>,3|H<1>,4|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC){2|C<3>,3|C<4>,3|H<1>}	123.0400	0.000	1	122.9641	0.277	14	122.5910	1.752	44	122.6798	1.682	52	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:4:4:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC){2|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|C<3>,3|H<1>,4|C<4>}	123.6060	0.000	1	122.9641	0.277	14	122.5910	1.752	44	122.6798	1.682	52	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:4:4:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|C<4>,2|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,3|C<4>,4|H<1>}	122.6690	0.000	1	122.6690	0.000	1	122.5910	1.752	44	122.6798	1.682	52	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:4:4:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|C<3>,1|C<4>,6|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){2|C<3>,3|C<4>,3|H<1>}	122.6940	0.000	1	122.6940	0.000	1	122.5910	1.752	44	122.6798	1.682	52	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:4:4:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CHHN)(CHHO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|C<3>,1|C<4>,6|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CHHN)(CHHO){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|Cl<1>,1|C<3>,3|C<4>,3|H<1>}	121.9690	0.000	1	121.9690	0.000	1	122.5910	1.752	44	122.6798	1.682	52	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:4:4:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]H)(CHHI)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|O<2>,2|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]H)(CHHI)(CH3){1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HH){1|C<3>,2|H<1>,3|C<4>}	119.8370	0.000	1	119.8370	0.000	1	122.5910	1.752	44	122.6798	1.682	52	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:4:4:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2	C[6,6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6,6a]C[6a]C[6])(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|C<4>,2|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6,6a]C[6a]C[6])(C[6]C[6]HH){1|N<2>,3|C<3>,3|C<4>,3|H<1>}	123.2560	0.000	1	123.2720	0.001	2	123.2720	0.001	2	122.6798	1.682	52	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:4:4:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2	C[6,6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6,6a]C[6a]C[6])(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|C<4>,2|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6,6a]C[6a]C[6])(C[6]C[6]HH){1|N<3>,3|C<3>,3|C<4>,3|H<1>}	123.2880	0.000	1	123.2720	0.001	2	123.2720	0.001	2	122.6798	1.682	52	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:4:4:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]FeH)(CH3)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]FeH)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|Fe<9>,1|C<3>,1|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]FeH)(CH3)2{1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]FeH)(C[6a]C[6a]H){1|C<3>,3|C<4>,3|H<1>}	120.5990	0.000	1	120.5990	0.000	1	121.8846	1.751	5	121.8846	1.751	5	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:4:4:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]C)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]C)(C[6a]C[6a]H){3|C<3>,3|C<4>,4|H<1>}	123.2850	0.436	2	123.2850	0.190	2	121.8846	1.751	5	121.8846	1.751	5	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:4:4:	3:4:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]RuH)(CH3)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]RuH)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|Ru<9>,1|C<3>,1|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]RuH)(CH3)2{1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]RuH)(C[6a]C[6a]H){1|C<3>,3|C<4>,3|H<1>}	121.1270	0.304	2	121.1270	0.092	2	121.8846	1.751	5	121.8846	1.751	5	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:4:4:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[4,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[4,6]CC)(CH3)2	C[6,6a](C[4,6]C[4,6]C[4]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CC){2|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[4,6]CC)(CH3)2{1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[4,6]C[4,6]C[4]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,3|H<1>,5|C<4>}	121.2750	0.000	1	121.2750	0.000	1	121.2750	0.000	1	121.8040	0.531	5	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:4:4:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]CC)(CH3)2	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]Br)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CC){2|Br<1>,1|H<1>,2|C<3>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]CC)(CH3)2{1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]Br){1|O<2>,3|C<3>,3|H<1>,4|C<4>}	122.0710	1.283	2	122.0710	1.645	2	121.9363	0.592	4	121.8040	0.531	5	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:4:4:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]CC)(CH3)2	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CC){2|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]CC)(CH3)2{1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,3|C<3>,3|H<1>,4|C<4>}	121.8015	0.240	2	121.8015	0.057	2	121.9363	0.592	4	121.8040	0.531	5	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	4:3:1:1:	3:3:2:	C[6,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6]-4:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6,6a]O[6])(C[6,6a]C[6a]O[6])(C[6]C[6,6]HH)	C[6](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6,6a]2)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	C[6,6a](C[6,6a]C[6,6a]O[6])(C[6,6a]C[6a]O[6])(C[6]C[6,6]HH){2|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6,6a]2)(H)2{2|C<3>,2|O<2>,5|C<4>}	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	122.0020	0.284	6	122.0020	0.081	6	122.0020	0.081	6	122.0020	0.081	6	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	4:3:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6]-4:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]H)(C[6]C[6,6]HH)	C[6](C[6,6]C[6,6,6a]O[6]H)(C[6,6a]C[6,6a]C[6a])(H)2	C[6,6a](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]O)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]H)(C[6]C[6,6]HH){1|H<1>,2|O<2>,4|C<3>}	C[6](C[6,6]C[6,6,6a]O[6]H)(C[6,6a]C[6,6a]C[6a])(H)2{1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]O){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	118.3300	0.000	1	118.3300	0.000	1	118.3300	0.000	1	118.3300	0.000	1	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	4:3:1:1:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C[6]-4:	C[3,6]-4:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]O[6])(C[6,6a]C[6a]C[6])(C[6]C[3,6]HH)	C[6](C[3,6]C[3,6]O[3]H)(C[6,6a]C[6,6a]2)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6]C[3,6]HH)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]O[6])(C[6,6a]C[6a]C[6])(C[6]C[3,6]HH){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[3,6]C[3,6]O[3]H)(C[6,6a]C[6,6a]2)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6]C[3,6]HH)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	122.7330	0.167	2	122.7330	0.028	2	122.7330	0.028	2	122.7330	0.028	2	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	4:3:1:1:	4:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6]-4:C[6,6a]-3:Br-1:H-1:	C[6,6]-4:C[6,6a]-3:N[6a]-2:	C[6,6a](C[6,6a]C[6,6]N[6a])(C[6a]C[6a,6a]C[6a])(C[6]C[6,6]BrH)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(Br)(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])	C[6,6a](C[6,6a]C[6,6]N[6a])(C[6a]C[6a,6a]C[6a])(C[6]C[6,6]BrH){2|C<4>,2|H<1>,5|C<3>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(Br)(H){1|C<4>,2|H<1>,2|N<2>,3|C<3>}	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(N[6a]C[6a,6a]){2|Br<1>,1|C<4>,4|C<3>,4|H<1>}	120.0585	0.767	6	120.0585	0.588	6	121.2911	1.332	19	121.3700	1.192	27	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	4:3:1:1:	4:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6]-4:C[6,6a]-3:Br-1:H-1:	C[6,6]-4:C[6,6a]-3:N[6a]-2:	C[6,6a](C[6,6a]C[6,6]N[6a])(C[6a]C[6a,6a]C[6a])(C[6]C[6,6]BrH)	C[6](C[6,6]C[6,6a]S[6,6]H)(C[6,6a]C[6,6a]C[6a])(Br)(H)	C[6,6a](C[6,6]S[6,6]C[6]H)(C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])	C[6,6a](C[6,6a]C[6,6]N[6a])(C[6a]C[6a,6a]C[6a])(C[6]C[6,6]BrH){1|C<4>,1|S<2>,2|H<1>,5|C<3>}	C[6](C[6,6]C[6,6a]S[6,6]H)(C[6,6a]C[6,6a]C[6a])(Br)(H){1|C<4>,2|N<2>,3|C<3>}	C[6,6a](C[6,6]S[6,6]C[6]H)(C[6,6a]C[6a]C[6])(N[6a]C[6a,6a]){2|Br<1>,1|C<4>,2|H<1>,4|C<3>}	121.3474	0.704	7	121.3474	0.496	7	121.2911	1.332	19	121.3700	1.192	27	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	4:3:1:1:	4:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6]-4:C[6,6a]-3:Br-1:H-1:	C[6,6]-4:C[6,6a]-3:N[6a]-2:	C[6,6a](C[6,6a]C[6,6]N[6a])(C[6a]C[6a,6a]H)(C[6]C[6,6]BrH)	C[6](C[6,6]C[6,6a]S[6,6]H)(C[6,6a]C[6,6a]C[6a])(Br)(H)	C[6,6a](C[6,6]S[6,6]C[6]H)(C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])	C[6,6a](C[6,6a]C[6,6]N[6a])(C[6a]C[6a,6a]H)(C[6]C[6,6]BrH){1|C<4>,1|S<2>,2|H<1>,3|C<3>}	C[6](C[6,6]C[6,6a]S[6,6]H)(C[6,6a]C[6,6a]C[6a])(Br)(H){1|C<4>,1|H<1>,2|C<3>,2|N<2>}	C[6,6a](C[6,6]S[6,6]C[6]H)(C[6,6a]C[6a]C[6])(N[6a]C[6a,6a]){2|Br<1>,1|C<4>,3|C<3>,3|H<1>}	122.4580	0.386	6	122.4580	0.149	6	121.2911	1.332	19	121.3700	1.192	27	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	4:3:1:1:	4:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6]-4:C[6,6a]-3:H-1:H-1:	C[6,6]-4:C[6,6a]-3:N[6a]-2:	C[6,6a](C[6,6a]C[6,6]N[6a])(C[6a]C[6a,6a]C[6a])(C[6]C[6,6]HH)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(H)2	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])	C[6,6a](C[6,6a]C[6,6]N[6a])(C[6a]C[6a,6a]C[6a])(C[6]C[6,6]HH){2|C<4>,2|H<1>,5|C<3>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(H)2{1|C<4>,2|H<1>,2|N<2>,3|C<3>}	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(N[6a]C[6a,6a]){1|C<4>,4|C<3>,6|H<1>}	120.7485	0.366	2	120.7485	0.134	2	121.5574	0.947	8	121.3700	1.192	27	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	4:3:1:1:	4:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6]-4:C[6,6a]-3:H-1:H-1:	C[6,6]-4:C[6,6a]-3:N[6a]-2:	C[6,6a](C[6,6a]C[6,6]N[6a])(C[6a]C[6a,6a]H)(C[6]C[6,6]HH)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(H)2	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])	C[6,6a](C[6,6a]C[6,6]N[6a])(C[6a]C[6a,6a]H)(C[6]C[6,6]HH){2|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(H)2{1|C<4>,2|C<3>,2|N<2>,3|H<1>}	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(N[6a]C[6a,6a]){1|C<4>,3|C<3>,7|H<1>}	121.2442	0.462	4	121.2442	0.214	4	121.5574	0.947	8	121.3700	1.192	27	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	4:3:1:1:	4:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6]-4:C[6,6a]-3:H-1:H-1:	C[6,6]-4:C[6,6a]-3:N[6a]-2:	C[6,6a](C[6,6a]C[6,6]N[6a])(C[6a]C[6a,6a]H)(C[6]C[6,6]HH)	C[6](C[6,6]C[6,6a]S[6,6]H)(C[6,6a]C[6,6a]C[6a])(H)2	C[6,6a](C[6,6]S[6,6]C[6]H)(C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])	C[6,6a](C[6,6a]C[6,6]N[6a])(C[6a]C[6a,6a]H)(C[6]C[6,6]HH){1|C<4>,1|S<2>,2|H<1>,3|C<3>}	C[6](C[6,6]C[6,6a]S[6,6]H)(C[6,6a]C[6,6a]C[6a])(H)2{1|C<4>,1|H<1>,2|C<3>,2|N<2>}	C[6,6a](C[6,6]S[6,6]C[6]H)(C[6,6a]C[6a]C[6])(N[6a]C[6a,6a]){1|C<4>,3|C<3>,5|H<1>}	122.9925	0.182	2	122.9925	0.033	2	121.5574	0.947	8	121.3700	1.192	27	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	4:3:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6]-4:C[6,6a]-3:H-1:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5,6a]H)(C[6]C[6,6]HH)	C[6](C[6,6]O[6,6]C[6a]C[6])(C[6,6a]C[6,6a]C[6a])(H)2	C[6,6a](C[6,6]O[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5,6a]H)(C[6]C[6,6]HH){1|C<4>,2|H<1>,2|O<2>,3|C<3>}	C[6](C[6,6]O[6,6]C[6a]C[6])(C[6,6a]C[6,6a]C[6a])(H)2{1|C<4>,2|H<1>,5|C<3>}	C[6,6a](C[6,6]O[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	120.0960	0.000	1	120.0960	0.000	1	120.0960	0.000	1	121.2330	0.715	4	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	4:3:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	N[5,6]-4:C[6,6a]-3:H-1:H-1:	C[5,6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6a]C[5,6a]H)(C[6]N[5,6]HH)	C[6](N[5,6]C[5,6,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(H)2	C[6,6a](C[5,6,6]C[5,6,6]C[5]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6a]C[5,6a]H)(C[6]N[5,6]HH){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[6](N[5,6]C[5,6,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(H)2{2|C<3>,3|C<4>,4|H<1>}	C[6,6a](C[5,6,6]C[5,6,6]C[5]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H){1|C<3>,1|N<4>,1|O<2>,3|C<4>,8|H<1>}	121.0820	0.000	1	121.6120	0.211	3	121.6120	0.211	3	121.2330	0.715	4	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	4:3:1:1:	4:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	N[5,6]-4:C[6,6a]-3:H-1:H-1:	C[5,6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6a]C[5,6a]H)(C[6]N[5,6]HH)	C[6](N[5,6]C[5,6,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(H)2	C[6,6a](C[5,6,6]C[5,6,6]C[5]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6a]C[5,6a]H)(C[6]N[5,6]HH){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[6](N[5,6]C[5,6,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(H)2{2|C<3>,3|C<4>,4|H<1>}	C[6,6a](C[5,6,6]C[5,6,6]C[5]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H){1|N<4>,2|C<3>,2|C<4>,2|O<2>,6|H<1>}	121.8770	0.008	2	121.6120	0.211	3	121.6120	0.211	3	121.2330	0.715	4	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	4:3:1:1:	6:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6,6a]-3:H-1:H-1:	C[5x3,5x5,21x6]-6:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5x3,5x5,21x6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](C[6]C[5x3,5x5,21x6]HH)(C[6,6a]C[6,6a]C[6a])(H)2	C[6,6a](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5x3,5x5,21x6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<6>,4|B<6>,4|H<1>}	C[6](C[6]C[5x3,5x5,21x6]HH)(C[6,6a]C[6,6a]C[6a])(H)2{1|C<6>,1|H<1>,2|C<3>,4|B<6>}	C[6,6a](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,5|B<6>,8|H<1>}	121.6990	0.000	1	121.6990	0.000	1	121.6990	0.000	1	121.6990	0.000	1	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:3:4:	4:3:4:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[5,6]-4:C[6,6a]-3:S-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[5,6]HS)	C[6](C[5,6]N[5,6]C[6a]C[5])(C[6,6a]C[6,6a]C[6a])(SC[6a]OO)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]N[5,6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[5,6]HS){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6](C[5,6]N[5,6]C[6a]C[5])(C[6,6a]C[6,6a]C[6a])(SC[6a]OO)(H){1|C<4>,1|O<2>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]N[5,6]HH){1|C<4>,1|S<4>,2|H<1>,3|C<3>}	118.9920	0.000	1	118.9920	0.000	1	118.9920	0.000	1	118.9920	0.000	1	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:2:	3:3:1:1:	3:3:4:	C[6,6a]-3:C[6]-4:N[6a]-2:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[6]HH)(N[6a]C[6a])	C[6](C[6,6a]C[6,6a]N[6a])(N[6]C[6]C)(H)2	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[6]HH)(N[6a]C[6a]){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]N[6a])(N[6]C[6]C)(H)2{2|C<3>,3|C<4>}	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	116.0100	0.000	1	116.0100	0.000	1	116.0100	0.000	1	116.0100	0.000	1	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:2:	3:3:2:1:	3:3:3:	C[6,6a]-3:C[6]-4:N[6a]-2:	C[6,6a]-3:C[6a]-3:O[6]-2:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]H)(N[6a]C[6a])	C[6](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a]2)(O[6]C[6,6a])(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]N[6a]C[6])(C[6a]C[6a]C)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]H)(N[6a]C[6a]){1|C<2>,1|O<2>,5|C<3>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|Br<1>,1|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]N[6a]C[6])(C[6a]C[6a]C){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	120.7770	0.000	1	120.2915	0.471	2	120.2915	0.471	2	120.2915	0.471	2	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:2:	3:3:2:1:	3:3:3:	C[6,6a]-3:C[6]-4:N[6a]-2:	C[6,6a]-3:C[6a]-3:O[6]-2:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]H)(N[6a]C[6a])	C[6](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a]2)(O[6]C[6,6a])(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]N[6a]C[6])(C[6a]C[6a]C)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]H)(N[6a]C[6a]){1|C<2>,1|O<2>,5|C<3>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|H<1>,1|N<3>,6|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]N[6a]C[6])(C[6a]C[6a]C){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	119.8060	0.000	1	120.2915	0.471	2	120.2915	0.471	2	120.2915	0.471	2	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:2:	3:3:4:1:	3:3:2:	C[6,6a]-3:C[6]-4:O[6a]-2:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(O[6a]C[6a])	C[6](C[6,6a]C[6,6a]O[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]O[6a]C[6])(C[6a]C[6a]O)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(O[6a]C[6a]){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]O[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){2|H<1>,2|O<2>,5|C<3>}	C[6,6a](C[6,6a]O[6a]C[6])(C[6a]C[6a]O)(O[6]C[6]){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	123.5190	0.000	1	123.5190	0.000	1	123.5190	0.000	1	123.5190	0.000	1	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:2:	3:3:4:1:	3:4:3:	C[6,6a]-3:C[6]-4:N[6a]-2:	C[6,6a]-3:C[6,6a]-3:C-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(N[6a]C[6a])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(CC[6a]HH)(H)	C[6,6a](C[6,6a]N[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(N[6a]C[6a]){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(CC[6a]HH)(H){1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[6,6a]N[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	118.2170	0.096	3	118.2170	0.009	3	118.1833	0.011	4	118.1833	0.011	4	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:2:	3:3:4:1:	3:4:3:	C[6,6a]-3:C[6]-4:N[6a]-2:	C[6,6a]-3:C[6,6a]-3:C-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(N[6a]C[6a])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(CC[6a]HH)(H)	C[6,6a](C[6,6a]N[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]N)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(N[6a]C[6a]){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(CC[6a]HH)(H){1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[6,6a]N[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]N){1|C<4>,2|H<1>,3|C<3>}	118.0820	0.000	1	118.0820	0.000	1	118.1833	0.011	4	118.1833	0.011	4	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:2:	3:3:4:4:	3:4:3:	C[6,6a]-3:C[6]-4:O[6a]-2:	C[6,6a]-3:C[6]-3:C-4:C-4:	C[6,6a]-3:C[4,6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6]C[6]CC)(O[6a]C[6a])	C[6](C[6,6a]C[6,6a]O[6a])(C[6]C[4,6]O)(CCHH)(CH3)	C[6,6a](C[6,6a]O[6a]C[6])(C[4,6]C[4,6]2H)(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6]C[6]CC)(O[6a]C[6a]){1|C<3>,1|H<1>,2|O<1>,3|C<4>}	C[6](C[6,6a]C[6,6a]O[6a])(C[6]C[4,6]O)(CCHH)(CH3){1|H<1>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]O[6a]C[6])(C[4,6]C[4,6]2H)(C[6a]C[6a]O){2|H<1>,3|C<3>,4|C<4>}	127.3300	0.126	2	127.3300	0.016	2	127.3300	0.016	2	127.3300	0.016	2	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:2:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:N[6a]-2:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6]HH)(N[6a]C[6a])	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6,6]HH)(H)2	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]N[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6]HH)(N[6a]C[6a]){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6,6]HH)(H)2{2|C<4>,3|C<3>}	C[6,6a](C[6,6]C[6,6]C[6])(C[6,6a]N[6a]C[6])(C[6a]C[6a]H){1|C<3>,4|C<4>,4|H<1>}	121.3710	0.571	3	121.3710	0.326	3	121.3710	0.326	3	122.0767	6.795	31	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:2:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:N[6a]-2:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(N[6a]C[6a])	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6,6a]HH)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]C[6])(C[6,6a]N[6a]C[6])	C[6,6a](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(N[6a]C[6a]){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6,6a]HH)(H)2{4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]C[6])(C[6,6a]N[6a]C[6]){2|C<4>,4|C<3>,5|H<1>}	119.4818	0.573	6	119.4818	0.328	6	119.4818	0.328	6	122.0767	6.795	31	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:2:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:N[6a]-2:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]HH)(N[6a]C[6a])	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[5,6]HH)(H)2	C[6,6a](C[6,6a]N[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]HH)(N[6a]C[6a]){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[5,6]HH)(H)2{2|C<4>,3|C<3>}	C[6,6a](C[6,6a]N[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<3>,3|C<4>,3|H<1>}	120.1453	0.234	3	120.1453	0.055	3	120.1453	0.055	3	122.0767	6.795	31	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:2:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:N[6a]-2:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]HH)(N[6a]C[6a])	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]CC)(H)2	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]HH)(N[6a]C[6a]){1|O<1>,3|C<3>,3|C<4>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]CC)(H)2{2|H<1>,3|C<3>}	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]O){1|C<4>,3|C<3>,5|H<1>}	121.8900	0.000	1	121.5430	0.241	2	121.1537	0.293	9	122.0767	6.795	31	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:2:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:N[6a]-2:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]HH)(N[6a]C[6a])	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]CC)(H)2	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]HH)(N[6a]C[6a]){1|O<1>,3|C<3>,3|C<4>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]CC)(H)2{2|H<1>,3|C<3>}	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]O){2|C<4>,3|C<3>,4|H<1>}	121.1960	0.000	1	121.5430	0.241	2	121.1537	0.293	9	122.0767	6.795	31	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:2:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:N[6a]-2:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]HH)(N[6a]C[6a])	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]CC)(H)2	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]HH)(N[6a]C[6a]){1|C<3>,1|H<1>,1|N<3>,1|O<1>,3|C<4>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]CC)(H)2{2|H<1>,3|C<3>}	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	120.4450	0.000	1	120.8690	0.159	4	121.1537	0.293	9	122.0767	6.795	31	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:2:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:N[6a]-2:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]HH)(N[6a]C[6a])	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]CC)(H)2	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]HH)(N[6a]C[6a]){1|C<3>,1|H<1>,1|N<3>,1|O<1>,3|C<4>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]CC)(H)2{2|H<1>,3|C<3>}	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|C<4>,5|H<1>}	120.8135	0.070	2	120.8690	0.159	4	121.1537	0.293	9	122.0767	6.795	31	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:2:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:N[6a]-2:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]HH)(N[6a]C[6a])	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]CC)(H)2	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]HH)(N[6a]C[6a]){1|H<1>,1|O<1>,2|C<3>,3|C<4>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]CC)(H)2{2|H<1>,3|C<3>}	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|C<4>,5|H<1>}	121.4040	0.000	1	120.8690	0.159	4	121.1537	0.293	9	122.0767	6.795	31	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:2:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:N[6a]-2:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]HH)(N[6a]C[6a])	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]HH)(N[6a]C[6a]){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(H)2{2|H<1>,3|C<3>}	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]O){1|C<4>,4|C<3>,4|H<1>}	122.0690	0.000	1	122.0690	0.000	1	121.1537	0.293	9	122.0767	6.795	31	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:2:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:N[6a]-2:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]HH)(N[6a]C[6a])	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]HH)(N[6a]C[6a]){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(H)2{2|C<4>,3|C<3>}	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,3|C<4>,3|H<1>}	120.8760	0.066	2	120.8760	0.004	2	121.1537	0.293	9	122.0767	6.795	31	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:2:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:N[6a]-2:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6]C[6]HH)(N[6a]C[6a])	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]N[6a]C[6])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6]C[6]HH)(N[6a]C[6a]){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(H)2{2|H<1>,3|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]N[6a]C[6])(C[6]C[6]O){1|C<4>,3|C<3>,5|H<1>}	122.5735	0.298	2	122.8243	0.233	3	122.8243	0.233	3	122.0767	6.795	31	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:2:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:N[6a]-2:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6]C[6]HH)(N[6a]C[6a])	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]N[6a]C[6])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6]C[6]HH)(N[6a]C[6a]){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(H)2{2|H<1>,3|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]N[6a]C[6])(C[6]C[6]O){1|C<4>,3|C<3>,5|H<1>}	123.3260	0.000	1	122.8243	0.233	3	122.8243	0.233	3	122.0767	6.795	31	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:2:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:O[6a]-2:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O[6a]C[6a])	C[6](C[6,6a]C[6,6a]O[6a])(C[6]C[6,6a]HH)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]O[6a]C[6])(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O[6a]C[6a]){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]O[6a])(C[6]C[6,6a]HH)(H)2{4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]O[6a]C[6])(C[6a]C[6a]O){2|C<4>,3|C<3>,3|H<1>}	123.4550	0.000	1	123.4550	0.000	1	123.4550	0.000	1	122.0767	6.795	31	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:2:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:O[6a]-2:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]HH)(O[6a]C[6a])	C[6](C[6,6a]C[6,6a]O[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]O[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]HH)(O[6a]C[6a]){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	C[6](C[6,6a]C[6,6a]O[6a])(C[6]C[6]HH)(H)2{2|H<1>,3|C<3>}	C[6,6a](C[6,6a]O[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]O){1|C<3>,1|C<4>,5|H<1>}	126.3005	0.936	2	126.3005	0.875	2	126.3005	0.875	2	122.0767	6.795	31	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:2:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:O[6a]-2:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6]C[6]HH)(O[6a]C[6a])	C[6](C[6,6a]C[6,6a]O[6a])(C[6]C[6]CC)(H)2	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]O[6a]C[6])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6]C[6]HH)(O[6a]C[6a]){2|C<3>,2|O<1>,3|C<4>}	C[6](C[6,6a]C[6,6a]O[6a])(C[6]C[6]CC)(H)2{2|H<1>,3|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]O[6a]C[6])(C[6]C[6]O){1|C<4>,3|C<3>,5|H<1>}	127.1943	0.266	3	127.1943	0.071	3	127.0062	0.189	4	122.0767	6.795	31	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:2:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:O[6a]-2:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6]C[6]HH)(O[6a]C[6a])	C[6](C[6,6a]C[6,6a]O[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]O[6a]C[6])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6]C[6]HH)(O[6a]C[6a]){1|C<4>,2|C<3>,2|H<1>,2|O<1>}	C[6](C[6,6a]C[6,6a]O[6a])(C[6]C[6]HH)(H)2{2|H<1>,3|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]O[6a]C[6])(C[6]C[6]O){1|C<4>,3|C<3>,5|H<1>}	126.4420	0.000	1	126.4420	0.000	1	127.0062	0.189	4	122.0767	6.795	31	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:2:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6]-4:N[6a]-2:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]HH)(N[6a]C[6a])	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]HH)(N[6a]C[6a]){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH){1|C<4>,3|C<3>,5|H<1>}	122.3430	0.000	1	122.3430	0.000	1	121.5377	0.375	7	121.6369	0.400	8	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:2:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6]-4:N[6a]-2:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]HH)(N[6a]C[6a])	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]HH)(N[6a]C[6a]){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	121.6270	0.000	1	121.6270	0.000	1	121.5377	0.375	7	121.6369	0.400	8	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:2:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6]-4:N[6a]-2:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]HH)(N[6a]C[6a])	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]HH)(N[6a]C[6a]){1|C<3>,1|C<4>,1|N<2>,5|H<1>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,5|H<1>}	120.7845	0.199	2	121.2223	0.595	3	121.5377	0.375	7	121.6369	0.400	8	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:2:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6]-4:N[6a]-2:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]HH)(N[6a]C[6a])	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]HH)(N[6a]C[6a]){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,5|H<1>}	122.0980	0.000	1	121.2223	0.595	3	121.5377	0.375	7	121.6369	0.400	8	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:2:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6]-4:N[6a]-2:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]HH)(N[6a]C[6a])	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]N[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]HH)(N[6a]C[6a]){1|C<4>,1|N<2>,1|N<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(H)2{1|C<2>,1|C<4>,3|C<3>}	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]N[6a]H)(C[6]C[6]HH){1|C<2>,1|C<4>,2|C<3>,2|H<1>}	121.3350	0.000	1	121.3350	0.000	1	121.5377	0.375	7	121.6369	0.400	8	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:2:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6]-4:N[6a]-2:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]HH)(N[6a]C[6a])	C[6](C[6,6a]C[6,6a]N[6a])(C[6]N[6]HH)(H)2	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]N[6a]C)(C[6]N[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]HH)(N[6a]C[6a]){1|Cl<1>,1|C<3>,1|N<2>,1|N<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]N[6]HH)(H)2{1|C<4>,3|C<3>}	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]N[6a]C)(C[6]N[6]HH){1|C<4>,2|C<3>,2|H<1>}	121.7920	0.000	1	121.7920	0.000	1	121.5377	0.375	7	121.6369	0.400	8	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:2:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6]-4:N[6a]-2:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:N[6a]-3:C[6]-4:	C[6,6a](C[6,6a]N[6a]C[6])(C[6]C[6]HH)(N[6a]C[6a])	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]N[6a]C[6])(N[6a]C[6a]C)(C[6]C[6]HH)	C[6,6a](C[6,6a]N[6a]C[6])(C[6]C[6]HH)(N[6a]C[6a]){1|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6,6a](C[6,6a]N[6a]C[6])(N[6a]C[6a]C)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	122.3310	0.000	1	122.3310	0.000	1	122.3310	0.000	1	121.6369	0.400	8	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:2:	3:4:1:1:	3:4:3:	C[6,6a]-3:C[6]-4:N[6a]-2:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(N[6a]C[6a])	C[6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6,6]C[6]H)(H)2	C[6,6a](C[6,6a]N[6a]C[6])(C[6]C[6,6]CH)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(N[6a]C[6a]){1|C<3>,3|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6,6]C[6]H)(H)2{2|C<3>,2|H<1>,4|C<4>}	C[6,6a](C[6,6a]N[6a]C[6])(C[6]C[6,6]CH)(C[6a]C[6a]H){1|C<3>,3|C<4>,3|H<1>}	122.0460	0.000	1	122.0460	0.000	1	122.0460	0.000	1	123.9350	0.740	10	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:2:	3:4:1:1:	3:4:3:	C[6,6a]-3:C[6]-4:O[6a]-2:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(O[6a]C[6a])	C[6](C[6,6a]C[6,6a]O[6a])(C[6,6]C[6,6]C[6]O)(H)2	C[6,6a](C[6,6a]O[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(O[6a]C[6a]){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]O[6a])(C[6,6]C[6,6]C[6]O)(H)2{2|C<3>,3|C<4>,3|H<1>}	C[6,6a](C[6,6a]O[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]O){1|C<3>,2|C<4>,4|H<1>}	124.8220	0.000	1	124.8220	0.000	1	124.8220	0.000	1	123.9350	0.740	10	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:2:	3:4:1:1:	3:4:3:	C[6,6a]-3:C[6]-4:S[6a]-2:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(S[6a]C[6a])	C[6](C[6,6a]C[6,6a]S[6a])(C[5,6]C[5,6]C[5]H)(H)2	C[6,6a](C[6,6a]S[6a]C[6])(C[6]C[5,6]CH)(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(S[6a]C[6a]){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]S[6a])(C[5,6]C[5,6]C[5]H)(H)2{2|C<3>,3|C<4>,3|H<1>}	C[6,6a](C[6,6a]S[6a]C[6])(C[6]C[5,6]CH)(C[6a]C[6a]O){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	124.0602	0.558	8	124.0602	0.312	8	124.0602	0.312	8	123.9350	0.740	10	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:2:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6]-4:N[6a]-2:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[3x6]C[6a])(C[6]C[6,6]HH)(N[6a]C[6a])	C[6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[3x6]C[6]H)(H)2	C[6,6a](C[3x6]C[3x6]C[6]N[6])(C[6,6a]N[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[3x6]C[6a])(C[6]C[6,6]HH)(N[6a]C[6a]){1|C<3>,1|N<4>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[3x6]C[6]H)(H)2{1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[6,6a](C[3x6]C[3x6]C[6]N[6])(C[6,6a]N[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|O<2>,4|C<4>,7|H<1>}	122.6460	0.000	1	122.6460	0.000	1	122.6460	0.000	1	122.2313	0.153	7	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:2:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6]-4:N[6a]-2:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(N[6a]C[6a])	C[6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6,6]C[6]H)(H)2	C[6,6a](C[6,6]C[6,6]C[6]N)(C[6,6a]N[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(N[6a]C[6a]){1|C<3>,1|N<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6,6]C[6]H)(H)2{1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[6,6a](C[6,6]C[6,6]C[6]N)(C[6,6a]N[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	122.1930	0.000	1	122.2916	0.053	5	122.2916	0.053	5	122.2313	0.153	7	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:2:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6]-4:N[6a]-2:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(N[6a]C[6a])	C[6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6,6]C[6]H)(H)2	C[6,6a](C[6,6]C[6,6]C[6]N)(C[6,6a]N[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(N[6a]C[6a]){1|C<4>,1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6,6]C[6]H)(H)2{1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6,6a](C[6,6]C[6,6]C[6]N)(C[6,6a]N[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	122.3680	0.000	1	122.2916	0.053	5	122.2916	0.053	5	122.2313	0.153	7	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:2:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6]-4:N[6a]-2:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(N[6a]C[6a])	C[6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6,6]C[6]H)(H)2	C[6,6a](C[6,6]C[6,6]C[6]N)(C[6,6a]N[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(N[6a]C[6a]){1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6,6]C[6]H)(H)2{1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6,6a](C[6,6]C[6,6]C[6]N)(C[6,6a]N[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	122.6600	0.000	1	122.2916	0.053	5	122.2916	0.053	5	122.2313	0.153	7	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:2:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6]-4:N[6a]-2:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(N[6a]C[6a])	C[6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6,6]C[6]H)(H)2	C[6,6a](C[6,6]C[6,6]C[6]N)(C[6,6a]N[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(N[6a]C[6a]){1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6,6]C[6]H)(H)2{1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6]C[6,6]C[6]N)(C[6,6a]N[6a]C[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	122.1185	0.029	2	122.2916	0.053	5	122.2916	0.053	5	122.2313	0.153	7	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:2:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6]-4:N[6a]-2:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6]HH)(N[6a]C[6a])	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6,6]HH)(H)2	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]N[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6]HH)(N[6a]C[6a]){1|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6,6]HH)(H)2{2|C<3>,3|C<4>}	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]N[6a]C[6])(C[6a]C[6a]H){1|C<3>,4|C<4>,5|H<1>}	121.5150	0.000	1	121.5150	0.000	1	121.5150	0.000	1	122.2313	0.153	7	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:2:	3:4:2:1:	3:3:4:	C[6,6a]-3:C[6]-4:N[6a]-2:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]HO)(N[6a]C[6a])	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(OH)(H)	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]HO)(N[6a]C[6a]){1|C<4>,2|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(OH)(H){1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	122.3328	0.604	4	122.3328	0.365	4	122.3328	0.365	4	122.3328	0.365	4	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:2:	3:4:2:1:	4:3:3:	C[6,6a]-3:C[6]-4:O[6a]-2:	C[6,6a]-3:C[6,6]-4:O-2:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HO)(O[6a]C[6a])	C[6](C[6,6a]C[6,6a]O[6a])(C[6,6]C[6,6]O[6]H)(OH)(H)	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]O[6a]C[6])(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HO)(O[6a]C[6a]){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]O[6a])(C[6,6]C[6,6]O[6]H)(OH)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]O[6a]C[6])(C[6a]C[6a]O){1|C<4>,2|O<2>,3|C<3>,3|H<1>}	125.3070	0.000	1	125.3070	0.000	1	125.3070	0.000	1	125.3070	0.000	1	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:2:	3:4:3:1:	3:3:3:	C[6,6a]-3:C[6]-4:N[6a]-2:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(N[6a]C[6a,6a])	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6a]O[6]H)(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]H)(C[6]O[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(N[6a]C[6a,6a]){1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6a]O[6]H)(C[6a]C[6a]2)(H){2|H<1>,7|C<3>}	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]H)(C[6]O[6]O){1|C<4>,1|H<1>,3|C<3>}	117.6900	0.980	3	117.6900	0.961	3	117.6900	0.961	3	117.6900	0.961	3	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:2:	3:4:3:1:	3:3:4:	C[6,6a]-3:C[6]-4:N[6a]-2:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]HN)(N[6a]C[6a])	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(NCC)(H)	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]HN)(N[6a]C[6a]){1|C<3>,1|C<4>,6|H<1>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(NCC)(H){1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	120.8840	0.000	1	120.8840	0.000	1	120.8840	0.000	1	120.8840	0.000	1	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:2:	3:4:3:3:	3:3:4:	C[6,6a]-3:C[6]-4:N[6a]-2:	C[6,6a]-3:C[6]-4:C[6]-3:N-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]2N)(N[6a]C[6a])	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(C[6]C[6]2)(NC[6a]H)	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]2N)(N[6a]C[6a]){1|Cl<1>,2|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(C[6]C[6]2)(NC[6a]H){1|N<3>,2|C<4>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	122.5210	0.000	1	122.5210	0.000	1	122.5210	0.000	1	122.5210	0.000	1	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:2:	3:4:4:4:	3:4:2:	C[6,6a]-3:C[6]-4:N[6a]-2:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6,6a]-3:C[6]-4:N[6a]-2:	C[6,6a](C[6,6a]N[6a]C[6])(C[6]C[6]CC)(N[6a]C[6a])	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(CH3)2	C[6,6a](C[6,6a]N[6a]C[6])(C[6]C[6]CC)(N[6a]N[6a])	C[6,6a](C[6,6a]N[6a]C[6])(C[6]C[6]CC)(N[6a]C[6a]){1|C<3>,1|N<2>,2|H<1>,3|C<4>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(CH3)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6,6a](C[6,6a]N[6a]C[6])(C[6]C[6]CC)(N[6a]N[6a]){1|C<3>,2|H<1>,3|C<4>}	123.0760	0.209	3	123.0760	0.044	3	123.3640	0.263	6	123.3640	0.263	6	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:2:	3:4:4:4:	3:4:2:	C[6,6a]-3:C[6]-4:N[6a]-2:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6,6a]-3:C[6]-4:N[6a]-2:	C[6,6a](C[6,6a]N[6a]C[6])(C[6]C[6]CC)(N[6a]N[6a])	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(CH3)2	C[6,6a](C[6,6a]N[6a]C[6])(C[6]C[6]CC)(N[6a]C[6a])	C[6,6a](C[6,6a]N[6a]C[6])(C[6]C[6]CC)(N[6a]N[6a]){1|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(CH3)2{1|C<4>,2|H<1>,2|N<2>}	C[6,6a](C[6,6a]N[6a]C[6])(C[6]C[6]CC)(N[6a]C[6a]){1|C<3>,1|N<2>,2|H<1>,3|C<4>}	123.6520	0.604	3	123.6520	0.365	3	123.3640	0.263	6	123.3640	0.263	6	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:2:	4:3:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:N[6a]-2:	C[5,6]-4:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(N[6a]C[6a])	C[6](C[5,6]C[5,6,6a]C[5]C)(C[6,6a]C[6,6a]N[6a])(H)2	C[6,6a](C[6,6a]C[5,6,6a]C[6a])(C[6,6a]N[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(N[6a]C[6a]){1|H<1>,1|O<2>,5|C<3>}	C[6](C[5,6]C[5,6,6a]C[5]C)(C[6,6a]C[6,6a]N[6a])(H)2{1|N<3>,1|O<1>,4|C<3>}	C[6,6a](C[6,6a]C[5,6,6a]C[6a])(C[6,6a]N[6a]C[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	121.9000	0.000	1	121.9000	0.000	1	121.9000	0.000	1	121.9000	0.000	1	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:2:	4:3:1:1:	4:3:3:	C[6,6a]-3:C[6]-4:N[6a]-2:	C[6,6]-4:C[6,6a]-3:Br-1:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]BrH)(N[6a]C[6a,6a])	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]N[6a])(Br)(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]BrH)(N[6a]C[6a,6a]){2|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]N[6a])(Br)(H){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]H){2|Br<1>,1|C<4>,3|C<3>,4|H<1>}	120.0055	0.448	2	120.0055	0.200	2	120.0055	0.200	2	119.9883	0.101	3	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:2:	4:3:1:1:	4:3:3:	C[6,6a]-3:C[6]-4:N[6a]-2:	C[6,6]-4:C[6,6a]-3:H-1:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(N[6a]C[6a])	C[6](C[6,6]C[6,6a]O[6,6]H)(C[6,6a]C[6,6a]N[6a])(H)2	C[6,6a](C[6,6]O[6,6]O[6]C)(C[6,6a]N[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(N[6a]C[6a]){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6](C[6,6]C[6,6a]O[6,6]H)(C[6,6a]C[6,6a]N[6a])(H)2{1|C<4>,4|C<3>}	C[6,6a](C[6,6]O[6,6]O[6]C)(C[6,6a]N[6a]C[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	119.9540	0.000	1	119.9540	0.000	1	119.9540	0.000	1	119.9883	0.101	3	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:2:1:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:Se[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a](C[6,6a]C[6a]S[6])(C[6]Se[6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(Se[6]C[6])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6])	C[6,6a](C[6,6a]C[6a]S[6])(C[6]Se[6]HH)(C[6a]C[6a]H){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(Se[6]C[6])(H)2{1|H<1>,1|S<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6]){1|Se<2>,2|C<3>,4|H<1>}	119.2680	0.000	1	119.2680	0.000	1	119.2680	0.000	1	119.2680	0.000	1	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:2:3:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:O[6]-2:C[6a]-3:H-1:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6a]O[6]H)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[4,6,6])(C[6a]C[6a]2)(H)	C[6,6a](C[6,6]C[4,6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6a]O[6]H)(C[6a]C[6a]O){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[4,6,6])(C[6a]C[6a]2)(H){1|O<2>,2|C<4>,2|H<1>,5|C<3>}	C[6,6a](C[6,6]C[4,6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,2|H<1>,3|C<4>,3|O<2>}	122.1415	0.214	2	122.1415	0.046	2	122.1415	0.046	2	122.1415	0.046	2	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:1:1:	3:2:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:O[6]-2:N[6a]-2:	C[6,6a](C[6,6a]N[6a]O[6])(C[6]C[6,6a]HH)(C[6a]N[6a]N)	C[6](C[6,6a]C[6,6a]C[6a])2(H)2	C[6,6a](C[6,6a]C[6a]C[6])(O[6]C[6,6a])(N[6a]C[6a])	C[6,6a](C[6,6a]N[6a]O[6])(C[6]C[6,6a]HH)(C[6a]N[6a]N){3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(H)2{1|H<1>,1|N<3>,1|O<2>,2|C<3>,2|N<2>}	C[6,6a](C[6,6a]C[6a]C[6])(O[6]C[6,6a])(N[6a]C[6a]){1|N<2>,1|N<3>,2|C<3>,3|H<1>}	121.6900	0.000	1	121.6900	0.000	1	121.6900	0.000	1	121.6900	0.000	1	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:1:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[5a,6]-3:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5a,6]HH)(C[6a]C[6a]H)	C[6](C[5a,6]N[5a,6a]C[5a,6])(C[6,6a]C[6,6a]C[6a])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5a,6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5a,6]HH)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[5a,6]N[5a,6a]C[5a,6])(C[6,6a]C[6,6a]C[6a])(H)2{1|H<1>,1|N<2>,1|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5a,6]){1|N<2>,2|C<3>,4|H<1>}	122.6180	0.000	1	122.6180	0.000	1	122.6180	0.000	1	120.8929	3.196	35	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:1:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]HH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6]){1|C<4>,2|C<3>,4|H<1>}	122.0280	0.000	1	122.0280	0.000	1	122.0280	0.000	1	120.8929	3.196	35	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:1:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(O[6]C[6,6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|Br<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(O[6]C[6,6]){1|C<4>,2|C<3>,4|H<1>}	121.0280	0.000	1	121.0280	0.000	1	121.0280	0.000	1	120.8929	3.196	35	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:1:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]HH)(C[6a]C[5,6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(O[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]HH)(C[6a]C[5,6a]H){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(H)2{1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(O[6]C[6,6a]){1|C<4>,3|C<3>,3|H<1>}	120.4470	0.000	1	120.4470	0.000	1	120.7386	0.186	7	120.8929	3.196	35	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:1:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]HH)(C[6a]C[6a]C)	C[6](C[6,6a]C[6,6a]C[6a])2(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]HH)(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(H)2{1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a]){2|C<4>,2|H<1>,3|C<3>}	121.2580	0.000	1	121.2580	0.000	1	120.7386	0.186	7	120.8929	3.196	35	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:1:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]HH)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(H)2{1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a]){3|C<3>,4|H<1>}	120.9420	0.000	1	120.6930	0.188	5	120.7386	0.186	7	120.8929	3.196	35	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:1:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]HH)(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(H)2{1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a]){3|C<3>,4|H<1>}	121.1090	0.000	1	120.6930	0.188	5	120.7386	0.186	7	120.8929	3.196	35	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:1:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]HH)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(H)2{1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a]){3|C<3>,4|H<1>}	120.4500	0.000	1	120.6930	0.188	5	120.7386	0.186	7	120.8929	3.196	35	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:1:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]HH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(H)2{1|H<1>,1|N<3>,1|O<2>,2|C<3>,2|N<2>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|N<2>,2|C<3>,4|H<1>}	120.9110	0.000	1	120.6930	0.188	5	120.7386	0.186	7	120.8929	3.196	35	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:1:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]HH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(H)2{1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a]){3|C<3>,4|H<1>}	120.0530	0.000	1	120.6930	0.188	5	120.7386	0.186	7	120.8929	3.196	35	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:1:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:H-1:H-1:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6,6a]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(H)2	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6,6a])	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6,6a]HH)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(H)2{1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6,6a]){4|H<1>,5|C<3>}	121.6390	0.000	1	121.6390	0.000	1	122.6803	0.997	3	120.8929	3.196	35	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:1:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:H-1:H-1:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6,6a]HH)(C[6a]O[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])2(H)2	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6,6a])	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6,6a]HH)(C[6a]O[6a]O){4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(H)2{2|C<3>,2|O<1>,3|O<2>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6,6a]){1|C<4>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	123.2010	0.607	2	123.2010	0.368	2	122.6803	0.997	3	120.8929	3.196	35	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:1:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[4,6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[4,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[4,6]C[4,6]C[4])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[4,6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[4,6]HH)(C[6a]C[6a]H){1|Cl<1>,1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[4,6]C[4,6]C[4])(H)2{1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[4,6]){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	121.4980	0.000	1	121.4980	0.000	1	121.4980	0.000	1	120.8929	3.196	35	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:1:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[5,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[5,6]HH)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2{1|H<1>,1|N<2>,2|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	120.8450	0.000	1	120.2413	0.803	3	120.3838	0.483	5	120.8929	3.196	35	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:1:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[5,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[5,6]HH)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2{1|N<2>,2|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	120.6670	0.000	1	120.2413	0.803	3	120.3838	0.483	5	120.8929	3.196	35	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:1:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[5,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[5,6]HH)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2{1|N<2>,2|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	119.2120	0.000	1	120.2413	0.803	3	120.3838	0.483	5	120.8929	3.196	35	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:1:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[5,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]S[5])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[5,6]HH)(C[6a]C[6a]H){1|S<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]S[5])(H)2{1|H<1>,1|N<2>,2|O<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]){1|N<3>,2|C<3>,4|H<1>}	120.3030	0.000	1	120.3030	0.000	1	120.3838	0.483	5	120.8929	3.196	35	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:1:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[5,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]C[5,6])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[5,6]HH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]C[5,6])(H)2{1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	120.8920	0.000	1	120.8920	0.000	1	120.3838	0.483	5	120.8929	3.196	35	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:1:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]C[5,6])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,6]HH)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]C[5,6])(H)2{1|H<1>,1|O<2>,2|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6]){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	119.3330	0.485	2	119.6467	0.638	4	119.6467	0.638	4	120.8929	3.196	35	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:1:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]C[5,6])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,6]HH)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]C[5,6])(H)2{1|C<4>,1|H<1>,1|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6]){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	119.1590	0.000	1	119.6467	0.638	4	119.6467	0.638	4	120.8929	3.196	35	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:1:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]C[5,6])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,6]HH)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]C[5,6])(H)2{1|C<4>,1|H<1>,1|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6]){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	120.7620	0.000	1	119.6467	0.638	4	119.6467	0.638	4	120.8929	3.196	35	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:1:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a](C[6,6a]C[6a]S[6])(C[6]N[5,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[5,6])	C[6,6a](C[6,6a]C[6a]S[6])(C[6]N[5,6]HH)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2{1|C<4>,1|N<3>,1|O<1>,1|S<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[5,6]){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	123.9920	0.013	2	123.9920	0.000	2	123.9920	0.000	2	120.8929	3.196	35	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:1:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[5a,6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a](C[6,6a]C[6a]S[6])(C[6]N[5a,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6]C[5a])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[5a,6])	C[6,6a](C[6,6a]C[6a]S[6])(C[6]N[5a,6]HH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6]C[5a])(H)2{1|H<1>,1|S<2>,2|N<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[5a,6]){1|C<3>,1|N<2>,1|N<3>,4|H<1>}	122.1510	0.000	1	122.1510	0.000	1	122.1510	0.000	1	120.8929	3.196	35	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:1:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[6,6]HH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(H)2{1|H<1>,2|C<3>,2|C<4>,2|N<2>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	120.0460	0.000	1	120.0460	0.000	1	120.0460	0.000	1	120.8929	3.196	35	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:1:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]P[6,6]C[6])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]P[6,6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[6,6]HH)(C[6a]C[6a]H){1|C<3>,1|P<5>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]P[6,6]C[6])(H)2{3|C<3>,3|H<1>,4|O<2>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]P[6,6]){1|C<3>,1|N<3>,3|O<2>,4|H<1>}	116.3510	0.270	2	116.3510	0.073	2	116.3510	0.073	2	120.8929	3.196	35	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:1:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a](C[6,6a]C[6a]S[6])(C[6]N[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6,6])	C[6,6a](C[6,6a]C[6a]S[6])(C[6]N[6,6]HH)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(H)2{1|C<4>,1|S<2>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6,6]){1|N<3>,2|C<3>,5|H<1>}	122.7050	0.000	1	122.4930	0.385	3	122.4930	0.385	3	120.8929	3.196	35	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:1:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a](C[6,6a]C[6a]S[6])(C[6]N[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6,6])	C[6,6a](C[6,6a]C[6a]S[6])(C[6]N[6,6]HH)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(H)2{1|C<4>,1|S<2>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6,6]){1|N<3>,2|C<3>,5|H<1>}	122.3870	0.839	2	122.4930	0.385	3	122.4930	0.385	3	120.8929	3.196	35	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:1:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:O[4,6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]O[4,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(O[4,6]Ge[4,6]2)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]Ge[4,6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]O[4,6]HH)(C[6a]C[6a]H){1|Br<1>,2|Ge<3>,1|C<3>,1|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(O[4,6]Ge[4,6]2)(H)2{1|H<1>,1|O<3>,2|C<3>,2|O<2>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]Ge[4,6]){1|C<3>,2|O<3>,4|H<1>}	118.9070	0.000	1	118.9910	0.014	2	118.9910	0.014	2	120.8929	3.196	35	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:1:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:O[4,6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]O[4,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(O[4,6]Ge[4,6]2)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]Ge[4,6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]O[4,6]HH)(C[6a]C[6a]H){2|Ge<3>,1|C<3>,1|C<4>,1|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(O[4,6]Ge[4,6]2)(H)2{1|H<1>,1|O<3>,2|C<3>,2|O<2>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]Ge[4,6]){1|C<3>,2|O<3>,4|H<1>}	119.0750	0.000	1	118.9910	0.014	2	118.9910	0.014	2	120.8929	3.196	35	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:1:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	N[5a,6]-3:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5a,6]HH)(C[6a]C[6a]H)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6,6a]C[6,6a]C[6a])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5a,6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5a,6]HH)(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6,6a]C[6,6a]C[6a])(H)2{1|H<1>,1|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5a,6]){1|N<3>,1|O<2>,2|C<3>,3|H<1>}	122.0170	0.000	1	122.0170	0.000	1	122.0170	0.000	1	120.8929	3.196	35	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[5a,6]-3:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]HH)(C[6a]C[6a]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]HH)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(H)2{1|H<1>,1|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]H){3|C<3>,4|H<1>}	123.0060	0.000	1	123.0060	0.000	1	123.0060	0.000	1	120.4671	1.391	175	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[5a,6]-3:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5a,6]HH)(C[6a]C[6a]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[5a,6]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5a,6]HH)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(H)2{1|N<2>,2|C<3>,2|H<1>,2|N<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[5a,6]H)(C[6a]C[6a]H){1|N<3>,2|C<3>,4|H<1>}	122.2410	0.000	1	122.2410	0.000	1	122.2410	0.000	1	120.4671	1.391	175	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6]HH)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H)2{2|H<1>,2|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]H){3|C<3>,4|H<1>}	120.9070	0.000	1	120.9070	0.000	1	120.9500	0.055	4	120.4671	1.391	175	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6])(H)2{1|Ru<6>,1|H<1>,1|N<3>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]H){3|C<3>,4|H<1>}	120.9643	0.285	3	120.9643	0.081	3	120.9500	0.055	4	120.4671	1.391	175	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-3:H-1:H-1:	N[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6,6]C[6])(H)2	C[6,6a](N[5,6]C[5,6,6]C[5,6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6,6]C[6])(H)2{1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6,6a](N[5,6]C[5,6,6]C[5,6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,4|C<3>,5|H<1>}	121.8570	0.000	1	121.8570	0.000	1	122.4230	0.641	2	120.4671	1.391	175	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-3:H-1:H-1:	N[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6,6]C[6])(H)2	C[6,6a](N[5,6]C[5,6,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6,6]C[6])(H)2{1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[6,6a](N[5,6]C[5,6,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	122.9890	0.000	1	122.9890	0.000	1	122.4230	0.641	2	120.4671	1.391	175	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:H-1:H-1:	B[6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]B[6])(C[6]C[6,6a]HH)(C[6a]C[6a]F)	C[6](C[6,6a]C[6,6a]C[6a])2(H)2	C[6,6a](B[6]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]F)	C[6,6a](C[6,6a]C[6a]B[6])(C[6]C[6,6a]HH)(C[6a]C[6a]F){2|F<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(H)2{1|B<3>,2|F<1>,4|C<3>}	C[6,6a](B[6]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]F){2|F<1>,2|H<1>,5|C<3>}	123.4490	0.088	2	123.4490	0.008	2	123.4490	0.008	2	120.4671	1.391	175	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:B[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]B[6])(C[6]C[6,6a]HH)(C[6a]C[6a]F)	C[6](C[6,6a]C[6,6a]C[6a])2(H)2	C[6,6a](C[6,6a]C[6a]C[6])(B[6]C[6,6a]O)(C[6a]C[6a]F)	C[6,6a](C[6,6a]C[6a]B[6])(C[6]C[6,6a]HH)(C[6a]C[6a]F){1|O<2>,2|F<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(H)2{1|B<3>,2|F<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(B[6]C[6,6a]O)(C[6a]C[6a]F){2|F<1>,2|H<1>,3|C<3>}	123.3015	0.091	2	123.3015	0.008	2	123.3015	0.008	2	120.4671	1.391	175	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HH)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(H)2{1|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){3|C<3>,4|H<1>}	122.2350	0.000	1	122.2350	0.000	1	121.8668	2.959	9	120.4671	1.391	175	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HH)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])2(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HH)(C[6a]C[6a]O){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(H)2{2|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|O<2>,3|C<3>,3|H<1>}	118.8890	0.734	2	121.8208	3.360	8	121.8668	2.959	9	120.4671	1.391	175	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HH)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])2(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HH)(C[6a]C[6a]O){1|O<1>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(H)2{2|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|O<2>,3|C<3>,3|H<1>}	122.7980	0.110	6	121.8208	3.360	8	121.8668	2.959	9	120.4671	1.391	175	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]HH)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(H)2{1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H){3|C<3>,4|H<1>}	119.7120	0.000	1	119.3983	0.159	4	118.1103	2.087	10	120.4671	1.391	175	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]HH)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])2(H)2{1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H){3|C<3>,4|H<1>}	119.2937	0.416	3	119.3983	0.159	4	118.1103	2.087	10	120.4671	1.391	175	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]Mn)(C[6a]C[6a]P)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]HH)(C[6a]C[6a]H){1|Mn<6>,1|H<1>,1|P<4>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(H)2{1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]Mn)(C[6a]C[6a]P){3|C<3>,4|H<1>}	118.6355	0.244	2	118.6355	0.060	2	118.1103	2.087	10	120.4671	1.391	175	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]Ru)(C[6a]C[6a]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]HH)(C[6a]C[6a]H){1|Ru<5>,1|C<4>,1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(H)2{1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]Ru)(C[6a]C[6a]C){3|C<3>,4|H<1>}	116.0135	0.472	2	116.5598	0.481	4	118.1103	2.087	10	120.4671	1.391	175	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]Ru)(C[6a]C[6a]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]HH)(C[6a]C[6a]H){1|Ru<6>,1|C<4>,1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(H)2{1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]Ru)(C[6a]C[6a]C){3|C<3>,4|H<1>}	117.1060	0.163	2	116.5598	0.481	4	118.1103	2.087	10	120.4671	1.391	175	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]N[5,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6,6]C[5])(H)2	C[6,6a](C[6,6]C[5,6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]N[5,6]HH)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6,6]C[5])(H)2{1|H<1>,1|O<1>,6|C<3>}	C[6,6a](C[6,6]C[5,6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,4|C<3>,5|H<1>}	117.0110	0.000	1	117.0110	0.000	1	117.0110	0.000	1	120.4671	1.391	175	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5,6]HH)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2{1|H<1>,1|O<1>,2|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]C[6])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|N<3>,3|C<3>,3|H<1>}	120.7900	0.069	2	120.7900	0.005	2	120.9122	0.275	6	120.4671	1.391	175	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5,6]HH)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2{1|H<1>,1|O<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]C[6a])(C[6a]C[6a]H){1|N<3>,4|C<3>,4|H<1>}	120.7150	0.000	1	120.7150	0.000	1	120.9122	0.275	6	120.4671	1.391	175	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5,6]HH)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2{1|H<1>,1|O<1>,2|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	121.2790	0.000	1	121.2790	0.000	1	120.9122	0.275	6	120.4671	1.391	175	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5,6]HH)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2{1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	120.1870	0.000	1	120.1870	0.000	1	120.9122	0.275	6	120.4671	1.391	175	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5,6]HH)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5,6]HH)(C[6a]C[6a]O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	121.7120	0.000	1	121.7120	0.000	1	120.9122	0.275	6	120.4671	1.391	175	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[5,6]HH)(C[6a]C[6a]F)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[5,6]HH)(C[6a]C[6a]F){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2{1|F<1>,1|N<3>,1|O<1>,2|C<3>,3|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]H){1|C<3>,1|F<1>,1|N<3>,2|C<4>,3|H<1>}	121.4460	0.000	1	121.4460	0.000	1	120.7034	1.305	5	120.4671	1.391	175	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[5,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Br)(N[6]C[5,6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[5,6]HH)(C[6a]C[6a]H){2|Br<1>,1|C<3>,1|H<1>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2{1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Br)(N[6]C[5,6]H){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	118.7850	0.000	1	118.7850	0.000	1	120.7034	1.305	5	120.4671	1.391	175	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[5,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[5,6]HH)(C[6a]C[6a]H){1|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2{1|C<4>,2|C<3>,2|N<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]C){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	120.5560	0.000	1	120.5560	0.000	1	120.7034	1.305	5	120.4671	1.391	175	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[5,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[5,6]HH)(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2{1|H<1>,1|N<3>,3|C<3>,3|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	121.1500	0.000	1	121.3650	0.092	2	120.7034	1.305	5	120.4671	1.391	175	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[5,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[5,6]HH)(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2{1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	121.5800	0.000	1	121.3650	0.092	2	120.7034	1.305	5	120.4671	1.391	175	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[5a,6]-3:H-1:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5a,6]HH)(C[6a]C[6a]2)	C[6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6]C[5a])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5a,6]HH)(C[6a]C[6a]2){1|O<1>,2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6]C[5a])(H)2{1|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	121.3780	0.000	1	121.3780	0.000	1	121.3780	0.000	1	120.4671	1.391	175	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[5a,6]-3:H-1:H-1:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[5a,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6]C[5a])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[5a,6]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[5a,6]HH)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6]C[5a])(H)2{1|H<1>,1|N<3>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[5a,6]H)(C[6a]C[6a]H){1|N<3>,2|C<3>,4|H<1>}	121.2283	0.732	3	121.2283	0.536	3	121.2283	0.536	3	120.4671	1.391	175	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[6,6]HH)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(H)2{1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]H)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	119.5070	0.000	1	119.8800	0.278	2	118.8670	3.218	3	120.4671	1.391	175	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[6,6]HH)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(H)2{1|H<1>,1|O<1>,2|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	120.2530	0.000	1	119.8800	0.278	2	118.8670	3.218	3	120.4671	1.391	175	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[6,6]HH)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[6,6]HH)(C[6a]C[6a]O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(H)2{1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]H)(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,3|H<1>}	116.8410	0.000	1	116.8410	0.000	1	118.8670	3.218	3	120.4671	1.391	175	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[5,6]C[6,6])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[6,6]HH)(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[5,6]C[6,6])(H)2{1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]H){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	118.1300	0.000	1	118.1300	0.000	1	119.4557	1.328	3	120.4671	1.391	175	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[6,6]HH)(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(H)2{1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	120.1185	0.142	2	120.1185	0.020	2	119.4557	1.328	3	120.4671	1.391	175	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]N[6,6]HH)(C[6a]C[6a]Br)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]N[6,6]HH)(C[6a]C[6a]Br){1|H<1>,2|C<3>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2{1|Br<1>,1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){1|Br<1>,1|N<3>,2|C<3>,7|H<1>}	120.2160	0.000	1	120.2160	0.000	1	120.4264	0.237	120	120.4671	1.391	175	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]N[6,6]HH)(C[6a]C[6a]F)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]F)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]N[6,6]HH)(C[6a]C[6a]F){2|C<3>,2|C<4>,2|F<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2{1|F<1>,1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]F){1|N<3>,2|C<3>,2|F<1>,6|H<1>}	120.8575	0.183	2	120.8575	0.034	2	120.4264	0.237	120	120.4671	1.391	175	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]N[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]Br)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]N[6,6]HH)(C[6a]C[6a]H){1|Br<1>,2|C<3>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2{1|N<3>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]Br){1|N<3>,2|C<3>,8|H<1>}	120.2685	0.479	6	120.3964	0.185	9	120.4264	0.237	120	120.4671	1.391	175	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]N[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]Br)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]N[6,6]HH)(C[6a]C[6a]H){1|Br<1>,2|C<4>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2{1|N<3>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]Br){1|N<3>,2|C<3>,8|H<1>}	120.5020	0.000	1	120.3964	0.185	9	120.4264	0.237	120	120.4671	1.391	175	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]N[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]Br)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]N[6,6]HH)(C[6a]C[6a]H){2|Br<1>,2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2{1|N<3>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]Br){1|N<3>,2|C<3>,8|H<1>}	120.7275	0.026	2	120.3964	0.185	9	120.4264	0.237	120	120.4671	1.391	175	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]N[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]C)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]N[6,6]HH)(C[6a]C[6a]H){2|C<3>,4|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2{1|N<3>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]C){2|C<3>,2|N<3>,7|H<1>}	121.1420	0.000	1	121.1420	0.000	1	120.4264	0.237	120	120.4671	1.391	175	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]N[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]N[6,6]HH)(C[6a]C[6a]H){1|B<3>,1|H<1>,2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2{1|N<3>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,8|H<1>}	120.4260	0.000	1	120.4505	0.284	81	120.4264	0.237	120	120.4671	1.391	175	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]N[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]N[6,6]HH)(C[6a]C[6a]H){1|Br<1>,1|H<1>,2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2{1|N<3>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,8|H<1>}	121.1248	0.884	4	120.4505	0.284	81	120.4264	0.237	120	120.4671	1.391	175	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]N[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]N[6,6]HH)(C[6a]C[6a]H){1|Cl<1>,1|H<1>,2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2{1|N<3>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,8|H<1>}	120.4375	0.416	10	120.4505	0.284	81	120.4264	0.237	120	120.4671	1.391	175	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]N[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]N[6,6]HH)(C[6a]C[6a]H){1|H<1>,1|I<1>,2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2{1|N<3>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,8|H<1>}	120.4447	0.544	9	120.4505	0.284	81	120.4264	0.237	120	120.4671	1.391	175	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]N[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]N[6,6]HH)(C[6a]C[6a]H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2{1|N<3>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,7|H<1>}	121.9900	0.000	1	120.4505	0.284	81	120.4264	0.237	120	120.4671	1.391	175	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]N[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]N[6,6]HH)(C[6a]C[6a]H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2{1|N<3>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,8|H<1>}	120.1885	0.193	12	120.4505	0.284	81	120.4264	0.237	120	120.4671	1.391	175	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]N[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]N[6,6]HH)(C[6a]C[6a]H){1|H<1>,2|C<3>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2{1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,7|H<1>}	120.6395	0.078	2	120.4505	0.284	81	120.4264	0.237	120	120.4671	1.391	175	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]N[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]N[6,6]HH)(C[6a]C[6a]H){1|H<1>,2|C<3>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2{1|N<3>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){1|Br<1>,1|N<3>,2|C<3>,7|H<1>}	120.2515	0.639	2	120.4505	0.284	81	120.4264	0.237	120	120.4671	1.391	175	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]N[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]N[6,6]HH)(C[6a]C[6a]H){1|H<1>,2|C<3>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2{1|N<3>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,8|H<1>}	120.3307	0.480	26	120.4505	0.284	81	120.4264	0.237	120	120.4671	1.391	175	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]N[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]N[6,6]HH)(C[6a]C[6a]H){1|H<1>,2|C<4>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2{1|N<3>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,8|H<1>}	120.6052	0.593	12	120.4505	0.284	81	120.4264	0.237	120	120.4671	1.391	175	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]N[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]N[6,6]HH)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2{1|N<3>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,8|H<1>}	120.6445	0.308	2	120.4505	0.284	81	120.4264	0.237	120	120.4671	1.391	175	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]N[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]N[5])	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]N[6,6]HH)(C[6a]C[6a]H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2{1|N<3>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]N[5]){1|N<3>,4|C<3>,8|H<1>}	119.8910	0.150	8	119.8910	0.022	8	120.4264	0.237	120	120.4671	1.391	175	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]N[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]N[5a])	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]N[6,6]HH)(C[6a]C[6a]H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2{1|N<3>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]N[5a]){1|N<3>,4|C<3>,8|H<1>}	120.5007	0.090	8	120.5007	0.008	8	120.4264	0.237	120	120.4671	1.391	175	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]N[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]S)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]N[6,6]HH)(C[6a]C[6a]H){1|S<2>,2|C<3>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2{1|N<3>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]S){1|N<3>,2|C<3>,8|H<1>}	120.4575	0.185	2	120.5067	0.022	6	120.4264	0.237	120	120.4671	1.391	175	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]N[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]S)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]N[6,6]HH)(C[6a]C[6a]H){1|S<3>,2|C<3>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2{1|N<3>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]S){1|N<3>,2|C<3>,8|H<1>}	120.5312	0.149	4	120.5067	0.022	6	120.4264	0.237	120	120.4671	1.391	175	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]N[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]Se)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]N[6,6]HH)(C[6a]C[6a]H){1|Se<2>,2|C<3>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2{1|N<3>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]Se){1|N<3>,2|C<3>,8|H<1>}	120.5165	0.340	2	120.5165	0.116	2	120.4264	0.237	120	120.4671	1.391	175	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]N[6,6]HH)(C[6a]C[6a]N)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]C)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]N[6,6]HH)(C[6a]C[6a]N){1|O<2>,2|C<3>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2{2|H<1>,2|N<3>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]C){2|C<3>,3|N<3>,6|H<1>}	120.4175	0.446	2	120.4175	0.199	2	120.4264	0.237	120	120.4671	1.391	175	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	N[5a,6]-3:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5a,6]HH)(C[6a]C[6a]H)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6,6a]C[6,6a]C[6a])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]C)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5a,6]HH)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6,6a]C[6,6a]C[6a])(H)2{1|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]C)(C[6a]C[6a]H){1|N<3>,2|C<3>,4|H<1>}	119.6235	0.347	2	119.6235	0.121	2	119.6235	0.121	2	120.4671	1.391	175	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:1:1:	3:4:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[5,6,6]-3:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6,6]HH)(C[6a]C[6a,6a]H)	C[6](C[5,6,6]C[5,5,6]C[5,6,6])(C[6,6a]C[6,6a]C[6a])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6,6]HH)(C[6a]C[6a,6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6,6]HH)(C[6a]C[6a,6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6](C[5,6,6]C[5,5,6]C[5,6,6])(C[6,6a]C[6,6a]C[6a])(H)2{1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6,6]HH)(C[6a]C[6a,6a]H){1|C<4>,3|C<3>,3|H<1>}	122.0395	0.210	2	122.0395	0.044	2	122.0395	0.044	2	120.1341	4.633	68	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:1:1:	3:4:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[5a,6]-3:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]HH)(C[6a]C[6a]H)	C[6](C[5a,6]C[5a,6]S[5a])(C[6,6a]C[6,6a]C[6a])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]CH)(C[6a]C[6a]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]HH)(C[6a]C[6a]H){1|C<2>,1|C<4>,1|S<2>,2|C<3>,2|H<1>}	C[6](C[5a,6]C[5a,6]S[5a])(C[6,6a]C[6,6a]C[6a])(H)2{1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]CH)(C[6a]C[6a]C){3|C<3>,4|H<1>}	122.7680	1.078	2	122.7680	1.161	2	122.7680	1.161	2	120.1341	4.633	68	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:1:1:	3:4:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[3x6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[3x6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[3x6]2)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[3x6]HH)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[3x6]HH)(C[6a]C[6a]H){1|C<4>,1|F<1>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[3x6]2)(H)2{2|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[3x6]HH)(C[6a]C[6a]H){1|C<4>,1|F<1>,2|C<3>,3|H<1>}	122.2104	0.195	7	122.2104	0.038	7	122.2104	0.038	7	120.1341	4.633	68	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:1:1:	3:4:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]CC)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(H)2{1|C<4>,1|P<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]CC)(C[6a]C[6a]H){3|C<3>,4|H<1>}	122.6070	0.000	1	122.6070	0.000	1	122.6070	0.000	1	120.1341	4.633	68	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:1:1:	3:4:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HH)(C[6a]C[6a]C)	C[6](C[6,6a]C[6,6a]C[6a])2(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HH)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HH)(C[6a]C[6a]C){3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])2(H)2{1|C<4>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HH)(C[6a]C[6a]H){3|H<1>,4|C<3>}	117.4312	0.539	6	117.4312	0.291	6	118.4811	3.835	28	120.1341	4.633	68	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:1:1:	3:4:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HH)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(H)2{1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){3|C<3>,4|H<1>}	119.7055	0.197	2	119.7055	0.039	2	118.4811	3.835	28	120.1341	4.633	68	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:1:1:	3:4:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HH)(C[6a]C[6a]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HH)(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(H)2{1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HH)(C[6a]C[6a]C){3|C<3>,4|H<1>}	117.5712	0.819	6	117.5712	0.670	6	118.4811	3.835	28	120.1341	4.633	68	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:1:1:	3:4:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HH)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HH)(C[6a]C[6a]H){3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])2(H)2{1|Br<1>,1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HH)(C[6a]C[6a]H){3|C<3>,4|H<1>}	117.8940	0.000	1	118.9417	7.017	6	118.4811	3.835	28	120.1341	4.633	68	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:1:1:	3:4:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HH)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HH)(C[6a]C[6a]H){3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])2(H)2{1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HH)(C[6a]C[6a]H){3|C<3>,4|H<1>}	122.2650	0.103	2	118.9417	7.017	6	118.4811	3.835	28	120.1341	4.633	68	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:1:1:	3:4:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HH)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HH)(C[6a]C[6a]H){3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])2(H)2{1|Pd<4>,1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HH)(C[6a]C[6a]H){3|C<3>,4|H<1>}	118.0380	0.000	1	118.9417	7.017	6	118.4811	3.835	28	120.1341	4.633	68	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:1:1:	3:4:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HH)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HH)(C[6a]C[6a]H){3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])2(H)2{1|Si<4>,1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HH)(C[6a]C[6a]H){3|C<3>,4|H<1>}	116.5940	0.216	2	118.9417	7.017	6	118.4811	3.835	28	120.1341	4.633	68	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:1:1:	3:4:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HH)(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HH)(C[6a]C[6a]H){1|O<2>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])2(H)2{1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HH)(C[6a]C[6a]O){3|C<3>,4|H<1>}	120.4120	0.023	2	120.4120	0.001	2	118.4811	3.835	28	120.1341	4.633	68	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:1:1:	3:4:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HH)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])2(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HH)(C[6a]C[6a]O){1|H<1>,3|C<3>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])2(H)2{1|C<4>,2|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|O<2>,3|C<3>,3|H<1>}	118.8835	0.599	2	118.8835	0.359	2	118.4811	3.835	28	120.1341	4.633	68	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:1:1:	3:4:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HH)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])2(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HH)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HH)(C[6a]C[6a]O){3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])2(H)2{1|C<4>,2|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HH)(C[6a]C[6a]H){1|O<2>,3|C<3>,3|H<1>}	122.0525	0.121	2	122.0525	0.015	2	118.4811	3.835	28	120.1341	4.633	68	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:1:1:	3:4:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HH)(C[6a]C[6a]Si)	C[6](C[6,6a]C[6,6a]C[6a])2(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HH)(C[6a]C[6a]Si)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HH)(C[6a]C[6a]Si){1|Si<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(H)2{1|Si<4>,1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HH)(C[6a]C[6a]Si){1|Si<4>,2|H<1>,4|C<3>}	115.8500	0.516	2	115.8500	0.266	2	118.4811	3.835	28	120.1341	4.633	68	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:1:1:	3:4:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:N[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]BH)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]HH)(C[6a]C[6a]H){1|B<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])2(H)2{1|N<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]BH)(C[6a]C[6a]H){3|C<3>,4|H<1>}	119.5943	0.315	4	119.5943	0.099	4	119.5943	0.099	4	120.1341	4.633	68	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:1:1:	3:4:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[6,6a]-3:B[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]B[6])(C[6]N[5,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(B[6]C[5,6]N[6]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]B[6])(C[6]N[5,6]HH)(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2{1|B<4>,1|N<3>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(B[6]C[5,6]N[6]H)(C[6a]C[6a]H){2|N<3>,3|C<3>,4|H<1>}	123.4850	0.000	1	123.4850	0.000	1	123.4850	0.000	1	120.1341	4.633	68	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:1:1:	3:4:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,5]C[5,6])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5,6]HH)(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,5]C[5,6])(H)2{2|H<1>,3|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	121.7465	0.187	2	121.5457	0.139	3	121.1334	3.156	13	120.1341	4.633	68	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:1:1:	3:4:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,5]C[5,6])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5,6]HH)(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,5]C[5,6])(H)2{3|C<3>,3|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	121.1440	0.000	1	121.5457	0.139	3	121.1334	3.156	13	120.1341	4.633	68	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:1:1:	3:4:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5,6]HH)(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2{2|H<1>,3|C<3>,4|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	116.0600	0.000	1	121.3470	5.472	7	121.1334	3.156	13	120.1341	4.633	68	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:1:1:	3:4:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5,6]HH)(C[6a]C[6a]H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2{1|C<4>,1|H<1>,1|O<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|N<3>,3|C<3>,4|H<1>}	122.1060	0.000	1	121.3470	5.472	7	121.1334	3.156	13	120.1341	4.633	68	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:1:1:	3:4:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5,6]HH)(C[6a]C[6a]H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	122.2870	0.244	4	121.3470	5.472	7	121.1334	3.156	13	120.1341	4.633	68	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:1:1:	3:4:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5,6]HH)(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2{1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|N<3>,2|C<3>,5|H<1>}	122.1150	0.000	1	121.3470	5.472	7	121.1334	3.156	13	120.1341	4.633	68	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:1:1:	3:4:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HO)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5,6]HH)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HO)(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,4|H<1>}	121.1820	0.000	1	121.1820	0.000	1	121.1334	3.156	13	120.1341	4.633	68	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:1:1:	3:4:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]N[5,6]C[5])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5,6]HH)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5,6]HH)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]N[5,6]C[5])(H)2{1|P<4>,2|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5,6]HH)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	119.7430	0.245	2	119.7430	0.060	2	121.1334	3.156	13	120.1341	4.633	68	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:1:1:	3:4:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]2)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[6,6]HH)(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]2)(H)2{2|C<3>,3|H<1>,4|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	120.2980	0.000	1	120.2980	0.000	1	120.7357	0.477	10	120.1341	4.633	68	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:1:1:	3:4:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[6,6]HH)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(H)2{2|C<4>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,4|H<1>}	120.4607	0.214	3	120.9152	0.683	5	120.7357	0.477	10	120.1341	4.633	68	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:1:1:	3:4:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[6,6]HH)(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(H)2{2|C<3>,3|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	120.8590	0.000	1	120.9152	0.683	5	120.7357	0.477	10	120.1341	4.633	68	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:1:1:	3:4:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[6,6]HH)(C[6a]C[6a]H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(H)2{1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|N<3>,2|C<3>,5|H<1>}	122.3350	0.000	1	120.9152	0.683	5	120.7357	0.477	10	120.1341	4.633	68	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:1:1:	3:4:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[6,6]HH)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]Cl)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[6,6]HH)(C[6a]C[6a]O){1|Cl<1>,1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(H)2{1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]Cl){1|N<3>,1|O<2>,2|C<3>,4|H<1>}	120.3160	0.000	1	120.3160	0.000	1	120.7357	0.477	10	120.1341	4.633	68	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:1:1:	3:4:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[6,6]HH)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[6,6]HH)(C[6a]C[6a]O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(H)2{1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,4|H<1>}	120.7223	0.720	3	120.7223	0.519	3	120.7357	0.477	10	120.1341	4.633	68	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:1:1:	4:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-3:H-1:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6,6]C[5])(H)2	C[6,6a](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|C<4>,1|H<1>,2|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6,6]C[5])(H)2{1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|Br<1>,1|N<3>,4|C<3>,4|H<1>}	121.2120	0.000	1	121.2120	0.000	1	121.2120	0.000	1	120.8890	2.282	20	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:1:1:	4:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:H-1:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[6,6a]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[5,6,6a]C[6a,6a])(C[6,6a]C[6,6a]C[6a])(H)2	C[6,6a](C[5,6]C[5,6,6a]C[5,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[6,6a]HH)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6](C[6,6a]C[5,6,6a]C[6a,6a])(C[6,6a]C[6,6a]C[6a])(H)2{1|C<4>,1|H<1>,5|C<3>}	C[6,6a](C[5,6]C[5,6,6a]C[5,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){4|H<1>,7|C<3>}	120.8260	0.000	1	120.8260	0.000	1	120.8260	0.000	1	120.8890	2.282	20	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:1:1:	4:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:H-1:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(H)2	C[6,6a](C[6]C[3,3,5,4x6]C[6,6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HH)(C[6a]C[6a]H){1|C<5>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])2(H)2{1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6]C[3,3,5,4x6]C[6,6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|Fe<11>,1|C<6>,2|B<6>,3|C<3>,4|H<1>}	121.6107	0.517	4	121.6107	0.267	4	120.2413	3.184	10	120.8890	2.282	20	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:1:1:	4:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:H-1:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(H)2	C[6,6a](C[6]C[6,6a]C[6]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HH)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(H)2{1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6]C[6,6a]C[6]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,4|H<1>,5|C<3>}	120.4375	0.335	4	120.4375	0.112	4	120.2413	3.184	10	120.8890	2.282	20	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:1:1:	4:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:H-1:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HH)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])2(H)2	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HH)(C[6a]C[6a]O){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(H)2{1|C<4>,2|O<2>,4|C<3>}	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,3|H<1>,5|C<3>}	117.1100	0.502	2	117.1100	0.252	2	120.2413	3.184	10	120.8890	2.282	20	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:1:1:	4:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]N[5,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,5,6]C[5])(H)2	C[6,6a](C[5,6]C[5,5,6]N[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]N[5,6]HH)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,5,6]C[5])(H)2{1|H<1>,1|O<1>,2|C<4>,4|C<3>}	C[6,6a](C[5,6]C[5,5,6]N[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,2|C<4>,3|C<3>,4|H<1>}	119.9360	0.000	1	119.9360	0.000	1	119.9360	0.000	1	120.8890	2.282	20	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:1:1:	4:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]N[5,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6,6]C[5])(H)2	C[6,6a](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]N[5,6]HH)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6,6]C[5])(H)2{1|C<4>,1|H<1>,1|O<1>,5|C<3>}	C[6,6a](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,4|C<3>,5|H<1>}	121.4100	0.000	1	122.1925	1.225	2	122.1925	1.225	2	120.8890	2.282	20	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:1:1:	4:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]N[5,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6,6]C[5])(H)2	C[6,6a](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]N[5,6]HH)(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6,6]C[5])(H)2{1|H<1>,1|O<1>,3|C<3>,3|C<4>}	C[6,6a](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,6|H<1>}	122.9750	0.000	1	122.1925	1.225	2	122.1925	1.225	2	120.8890	2.282	20	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:1:1:	4:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(H)2	C[6,6a](C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[6,6]HH)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(H)2{1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	122.2500	0.000	1	122.2500	0.000	1	122.1620	0.015	2	120.8890	2.282	20	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:1:1:	4:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[6,6]HH)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(H)2	C[6,6a](C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[6,6]HH)(C[6a]C[6a]O){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(H)2{1|O<2>,2|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,1|O<2>,4|C<3>,4|H<1>}	122.0740	0.000	1	122.0740	0.000	1	122.1620	0.015	2	120.8890	2.282	20	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:1:1:	4:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	N[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]N[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2	C[6,6a](N[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]N[6,6]HH)(C[6a]C[6a]H){1|Br<1>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2{1|N<4>,3|H<1>,4|C<3>}	C[6,6a](N[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,8|H<1>}	121.1560	0.000	1	121.5613	0.131	3	121.5613	0.131	3	120.8890	2.282	20	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:1:1:	4:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	N[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]N[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2	C[6,6a](N[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]N[6,6]HH)(C[6a]C[6a]H){2|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2{1|N<4>,3|H<1>,4|C<3>}	C[6,6a](N[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,8|H<1>}	121.7640	0.124	2	121.5613	0.131	3	121.5613	0.131	3	120.8890	2.282	20	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:2:1:	3:2:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:S-2:H-1:	C[6,6a]-3:O[6]-2:N[6a]-2:	C[6,6a](C[6,6a]N[6a]O[6])(C[6]C[6,6a]HS)(C[6a]C[6a]N)	C[6](C[6,6a]C[6,6a]C[6a])2(SC[6a])(H)	C[6,6a](C[6,6a]C[6a]C[6])(O[6]C[6,6a])(N[6a]C[6a])	C[6,6a](C[6,6a]N[6a]O[6])(C[6]C[6,6a]HS)(C[6a]C[6a]N){1|C<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(SC[6a])(H){1|H<1>,1|N<2>,1|N<3>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(O[6]C[6,6a])(N[6a]C[6a]){1|H<1>,1|S<2>,2|N<3>,3|C<3>}	121.5915	0.725	2	121.5915	0.525	2	121.5915	0.525	2	121.5915	0.525	2	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:2:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:S-2:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]HS)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(SC[6a])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]HS)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(SC[6a])(H){1|H<1>,1|N<2>,1|N<3>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|N<2>,1|O<2>,1|S<2>,2|C<3>,2|H<1>}	120.4605	0.513	2	120.4605	0.263	2	120.4605	0.263	2	120.6183	2.078	6	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:2:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-3:N[6]-2:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6]N[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6])(N[6]S[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]S[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6]N[6]H)(C[6a]C[6a]H){1|S<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6])(N[6]S[6])(H){1|H<1>,1|O<2>,3|O<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]S[6]){1|N<2>,2|C<3>,2|O<1>,3|H<1>}	122.3640	0.000	1	122.3640	0.000	1	122.3640	0.000	1	120.6183	2.078	6	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:2:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:H-1:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]O[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]O[6]H)(C[6a]C[6a]H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(H){1|N<2>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|O<2>,3|C<3>,3|H<1>}	118.0910	0.000	1	118.0910	0.000	1	118.0910	0.000	1	120.6183	2.078	6	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:2:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:S[6]-2:H-1:	C[6,6a]-3:C[6,6a]-3:S[6a]-2:	C[6,6a](C[6,6a]C[6,6a]S[6a])(C[6]C[6a]S[6]H)(C[6a]C[6a,6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(S[6]C[6,6a])(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(S[6a]C[6a,6a])	C[6,6a](C[6,6a]C[6,6a]S[6a])(C[6]C[6a]S[6]H)(C[6a]C[6a,6a]O){6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(S[6]C[6,6a])(H){1|O<1>,1|S<2>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(S[6a]C[6a,6a]){1|O<1>,1|S<2>,2|H<1>,5|C<3>}	121.1670	0.206	2	121.1670	0.043	2	121.1670	0.043	2	120.6183	2.078	6	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:2:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:N-2:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HN)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])2(NC)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HN)(C[6a]C[6a]O){1|O<1>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(NC)(H){2|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|N<2>,1|O<2>,2|H<1>,3|C<3>}	122.6683	1.443	4	122.6683	2.082	4	122.6683	2.082	4	120.7118	5.881	21	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:2:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-2:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HO)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]N)(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HO)(C[6a]C[6a]H){1|H<1>,1|N<2>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(OH)(H){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]N)(C[6a]C[6a]O){1|O<2>,3|C<3>,3|H<1>}	117.0580	0.430	2	117.0580	0.185	2	120.5894	5.345	8	120.7118	5.881	21	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:2:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-2:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HO)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])2(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]N)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HO)(C[6a]C[6a]O){1|N<2>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(OH)(H){2|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]N)(C[6a]C[6a]H){2|H<1>,2|O<2>,3|C<3>}	120.7520	0.624	2	120.7520	0.389	2	120.5894	5.345	8	120.7118	5.881	21	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:2:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-2:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HO)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])2(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HO)(C[6a]C[6a]O){1|O<1>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(OH)(H){2|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){2|H<1>,2|O<2>,3|C<3>}	122.2738	0.408	4	122.2738	0.166	4	120.5894	5.345	8	120.7118	5.881	21	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:2:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:S-2:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HS)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a,6a]N[6a])(C[6,6a]C[6,6a]C[6a])(SC)(H)	C[6,6a](C[6,6a]C[6,6a,6a]C[5,6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HS)(C[6a]C[6a]O){1|H<1>,1|N<2>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a,6a]N[6a])(C[6,6a]C[6,6a]C[6a])(SC)(H){2|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a,6a]C[5,6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|S<2>,2|H<1>,2|O<2>,4|C<3>}	121.5610	0.000	1	121.5610	0.000	1	121.5610	0.000	1	120.7118	5.881	21	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:2:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:H-1:	C[6,6a]-3:C[6a]-3:C[6,6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]H)(C[6a]C[6a,6a]P)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6,6a])(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]H)(C[6a]C[6a,6a]P){7|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|P<4>,2|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6]){1|O<2>,1|P<4>,2|H<1>,7|C<3>}	115.8450	0.000	1	115.8450	0.000	1	115.8450	0.000	1	120.7118	5.881	21	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:2:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]O[6]H)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]O[6]H)(C[6a]C[6a]O){3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(H){1|O<2>,2|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|H<1>,3|C<3>,3|O<2>}	116.6370	0.000	1	116.6370	0.000	1	119.5725	17.234	2	120.7118	5.881	21	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:2:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]O[6]H)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]O[6]H)(C[6a]C[6a]O){1|C<4>,1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(H){1|C<4>,1|O<2>,2|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|H<1>,3|C<3>,3|O<2>}	122.5080	0.000	1	122.5080	0.000	1	119.5725	17.234	2	120.7118	5.881	21	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:2:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:H-1:	C[6a,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6a]O[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6,6a])(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])	C[6,6a](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6a]O[6]H)(C[6a]C[6a]H){1|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6,6a])(H){3|H<1>,6|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6]){1|O<2>,4|H<1>,6|C<3>}	117.3330	0.000	1	117.3330	0.000	1	117.3330	0.000	1	120.7118	5.881	21	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:2:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:H-1:	N[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]C[6a]O[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6,6])(H)	C[6,6a](N[6,6]C[6,6a]C[6,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]C[6a]O[6]H)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6,6])(H){1|N<3>,4|H<1>,5|C<3>}	C[6,6a](N[6,6]C[6,6a]C[6,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,4|H<1>,5|C<3>}	122.0900	0.000	1	122.0900	0.000	1	122.0900	0.000	1	120.7118	5.881	21	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:2:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[5,6]-3:O-2:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5,6]HO)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]N[5,6]C[5])(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5,6]C)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5,6]HO)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]N[5,6]C[5])(OH)(H){1|H<1>,3|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5,6]C)(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,3|H<1>}	121.3870	0.000	1	121.3870	0.000	1	121.3870	0.000	1	120.7118	5.881	21	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:2:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[5]-3:O[6]-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5]O[6]H)(C[6a]C[6a]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[5]C[5]N[5])(O[6]C[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]P)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5]O[6]H)(C[6a]C[6a]C){1|C<4>,1|N<3>,1|P<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5]C[5]N[5])(O[6]C[6])(H){1|H<1>,4|C<3>,5|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]P){1|C<3>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	120.7670	0.000	1	120.7670	0.000	1	120.7670	0.000	1	120.7118	5.881	21	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:2:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[6,6a]-3:O-2:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[6,6a]HO)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6a]C[6,6a]C[6a])(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[6,6a]HO)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6a]C[6,6a]C[6a])(OH)(H){1|H<1>,1|N<2>,1|O<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,1|O<2>,3|H<1>}	121.4310	0.000	1	121.4310	0.000	1	121.4310	0.000	1	120.7118	5.881	21	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:2:1:	3:3:4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5a]-3:O[6]-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a]O[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]N[5a])(O[6]C[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a]O[6]H)(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|N<2>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]N[5a])(O[6]C[6])(H){1|C<4>,1|N<2>,1|N<3>,2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|O<2>,2|C<3>,5|H<1>}	120.5230	0.000	1	120.5230	0.000	1	120.5230	0.000	1	118.8632	6.666	18	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:2:1:	3:3:4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HN)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H){1|N<3>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6])(H){1|Cl<1>,1|C<4>,1|H<1>,1|N<2>,1|N<3>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HN){1|N<2>,3|C<3>,3|H<1>}	115.4030	0.000	1	115.4030	0.000	1	114.7940	0.742	2	118.8632	6.666	18	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:2:1:	3:3:4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H){1|O<2>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6])(H){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|N<2>,3|C<3>,3|H<1>}	114.1850	0.000	1	114.1850	0.000	1	114.7940	0.742	2	118.8632	6.666	18	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:2:1:	3:3:4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]O[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(O[6]C[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]O[6]H)(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(O[6]C[6])(H){1|C<4>,1|O<2>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|O<2>,2|C<3>,5|H<1>}	120.3877	0.250	3	120.6308	0.278	4	118.9079	4.606	13	118.8632	6.666	18	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:2:1:	3:3:4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]O[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(O[6]C[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]O[6]H)(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(O[6]C[6])(H){1|C<4>,4|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|O<2>,2|C<3>,5|H<1>}	121.3600	0.000	1	120.6308	0.278	4	118.9079	4.606	13	118.8632	6.666	18	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:2:1:	3:3:4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]O[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]O[6]H)(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(H){1|C<4>,1|F<1>,4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){2|C<3>,2|O<2>,4|H<1>}	119.4730	0.000	1	118.2791	4.769	7	118.9079	4.606	13	118.8632	6.666	18	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:2:1:	3:3:4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]O[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]O[6]H)(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(H){1|C<4>,4|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){2|C<3>,2|O<2>,4|H<1>}	120.9055	0.807	2	118.2791	4.769	7	118.9079	4.606	13	118.8632	6.666	18	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:2:1:	3:3:4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]O[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]O[6]H)(C[6a]C[6a]H){1|O<2>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|O<1>,2|C<3>,2|H<1>,2|O<2>}	115.7250	0.000	1	118.2791	4.769	7	118.9079	4.606	13	118.8632	6.666	18	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:2:1:	3:3:4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]O[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]O[6]H)(C[6a]C[6a]H){1|O<2>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|O<1>,2|C<3>,2|H<1>,2|O<2>}	116.9817	0.764	3	118.2791	4.769	7	118.9079	4.606	13	118.8632	6.666	18	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:2:1:	3:3:4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]O[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]O[6]H)(C[6a]C[6a]H){1|O<2>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH){1|O<1>,2|C<3>,2|H<1>,2|O<2>}	115.6520	0.000	1	115.6520	0.000	1	118.9079	4.606	13	118.8632	6.666	18	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:2:1:	3:3:4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]O[6]H)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]O[6]H)(C[6a]C[6a]O){1|O<2>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|H<1>,1|O<1>,2|C<3>,3|O<2>}	119.6740	0.000	1	119.6740	0.000	1	118.9079	4.606	13	118.8632	6.666	18	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:2:1:	3:3:4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:H-1:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6]C[6a]O[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6]C[6a]O[6]H)(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(H){3|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[6]HH){1|O<2>,2|H<1>,3|C<4>,4|C<3>}	123.2300	0.000	1	123.2300	0.000	1	123.2300	0.000	1	118.8632	6.666	18	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:2:1:	3:3:4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[5a]-3:O[6]-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5a]O[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5a]C[5a,6a]N[5a])(O[6]C[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5a]O[6]H)(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5a]C[5a,6a]N[5a])(O[6]C[6])(H){1|C<4>,1|N<2>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|N<3>,1|O<2>,5|H<1>}	120.3940	0.000	1	120.3940	0.000	1	120.3940	0.000	1	118.8632	6.666	18	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:2:1:	3:4:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[5a,6]-3:C[6,6a]-3:C-2:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]CH)(C[6a]C[6a]C)	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(CC)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]HH)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]CH)(C[6a]C[6a]C){3|C<3>,4|H<1>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(CC)(H){1|H<1>,1|S<2>,2|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]HH)(C[6a]C[6a]H){1|C<2>,1|C<4>,1|S<2>,2|C<3>,2|H<1>}	121.2095	0.856	2	121.2095	0.733	2	121.2095	0.733	2	120.4373	3.815	13	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:2:1:	3:4:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-2:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HO)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HO)(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HO)(C[6a]C[6a]H){2|H<1>,2|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(OH)(H){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HO)(C[6a]C[6a]O){1|O<2>,3|C<3>,3|H<1>}	118.2505	0.013	2	118.2505	0.000	2	120.7379	4.131	8	120.4373	3.815	13	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:2:1:	3:4:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-2:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HO)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])2(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HO)(C[6a]C[6a]O){2|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(OH)(H){1|C<4>,2|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){2|H<1>,2|O<2>,3|C<3>}	122.4720	0.923	4	122.4720	0.852	4	120.7379	4.131	8	120.4373	3.815	13	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:2:1:	3:4:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-2:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HO)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])2(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HO)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HO)(C[6a]C[6a]O){1|O<2>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])2(OH)(H){1|C<4>,2|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HO)(C[6a]C[6a]H){2|H<1>,2|O<2>,3|C<3>}	119.7570	0.190	2	119.7570	0.036	2	120.7379	4.131	8	120.4373	3.815	13	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:2:1:	3:4:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]O[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]2C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]O[6]H)(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]2C[6])(C[6a]C[6a]H){1|O<1>,1|O<2>,3|H<1>,6|C<3>}	116.6840	0.000	1	116.6840	0.000	1	119.1210	4.508	3	120.4373	3.815	13	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:2:1:	3:4:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]O[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]O[6]H)(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(H){1|C<4>,4|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|O<2>,4|H<1>,5|C<3>}	120.3395	0.329	2	120.3395	0.108	2	119.1210	4.508	3	120.4373	3.815	13	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:2:1:	4:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-3:O-2:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HO)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]O[6,6]C[6])(OH)(H)	C[6,6a](C[6,6]O[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HO)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]O[6,6]C[6])(OH)(H){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6]O[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	120.0600	0.000	1	120.0600	0.000	1	120.0600	0.000	1	120.0600	0.000	1	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:2:2:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-2:O-2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CO)(C[6a]C[6a]Br)	C[6](C[6,6a]C[6,6a]C[6a])2(CC)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CO)(C[6a]C[6a]Br){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CC)(OH){1|Br<1>,1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]N){1|Br<1>,1|C<2>,1|C<4>,1|O<2>,3|C<3>}	121.2230	0.000	1	121.2230	0.000	1	121.5690	0.239	2	117.7613	19.455	4	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:2:2:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-2:O-2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CO)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CC)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CO)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CC)(OH){1|Br<1>,1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|C<2>,1|O<2>,2|H<1>,3|C<3>}	121.9150	0.000	1	121.9150	0.000	1	121.5690	0.239	2	117.7613	19.455	4	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:2:2:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-2:O-2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]OO)(C[6a]C[6a]P)	C[6](C[6,6a]C[6,6a]C[6a])2(OC[6])(OPt)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]OO)(C[6a]C[6a]P){1|O<1>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(OC[6])(OPt){2|P<4>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|H<1>,1|P<4>,2|O<2>,3|C<3>}	113.9535	0.361	2	113.9535	0.131	2	113.9535	0.131	2	117.7613	19.455	4	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:2:2:	3:4:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-2:O-2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CO)(C[6a]C[6a]Cl)	C[6](C[6,6a]C[6,6a]C[6a])2(CC)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CO)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CO)(C[6a]C[6a]Cl){1|C<2>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CC)(OH){1|Cl<1>,1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CO)(C[6a]C[6a]H){1|Cl<1>,1|C<2>,1|H<1>,1|O<2>,3|C<3>}	121.9426	0.327	8	121.9426	0.107	8	122.8657	0.555	27	122.8657	0.555	27	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:2:2:	3:4:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-2:O-2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CO)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CC)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CO)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CO)(C[6a]C[6a]H){1|C<2>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CC)(OC){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CO)(C[6a]C[6a]H){1|C<2>,1|O<2>,2|H<1>,3|C<3>}	123.2378	0.314	4	123.2378	0.099	4	122.8657	0.555	27	122.8657	0.555	27	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:2:2:	3:4:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-2:O-2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CO)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CC)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CO)(C[6a]C[6a]Cl)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CO)(C[6a]C[6a]H){1|Cl<1>,1|C<2>,1|H<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CC)(OH){1|Cl<1>,1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CO)(C[6a]C[6a]Cl){1|C<2>,1|O<2>,2|H<1>,3|C<3>}	123.6581	0.289	7	123.6581	0.083	7	122.8657	0.555	27	122.8657	0.555	27	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:2:2:	3:4:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-2:O-2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CO)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CC)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CO)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CO)(C[6a]C[6a]H){1|C<2>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CC)(OH){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CO)(C[6a]C[6a]H){1|C<2>,1|O<2>,2|H<1>,3|C<3>}	122.9095	0.395	8	122.9095	0.156	8	122.8657	0.555	27	122.8657	0.555	27	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:2:2:	4:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:O-2:O-2:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]OO)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(OC)2	C[6,6a](C[6]C[6,6a]C[6a]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]OO)(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(OC)2{1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6]C[6,6a]C[6a]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|H<1>,2|O<2>,5|C<3>}	123.1190	0.274	2	123.1190	0.075	2	123.1190	0.075	2	123.1190	0.075	2	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:2:3:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:C-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]N[6]C)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]S[6])(COO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]S[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]N[6]C)(C[6a]C[6a]H){1|S<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]S[6])(COO){1|O<2>,2|O<1>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]S[6]){1|N<2>,2|H<1>,2|O<1>,3|C<3>}	122.3800	0.000	1	122.3800	0.000	1	122.3800	0.000	1	122.3800	0.000	1	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:2:3:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5a]-3:O[6]-2:C-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]O[6]C)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]S[5a])(O[6]C[6,6a])(CCH)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]O[6]C)(C[6a]C[6a]H){1|S<2>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]S[5a])(O[6]C[6,6a])(CCH){2|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,3|H<1>,5|C<3>}	119.2010	0.000	1	119.2010	0.000	1	119.2010	0.000	1	118.0545	2.629	2	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:2:3:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-3:O[6]-2:C-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]O[6]C)(C[6a]C[6a]Ir)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N[6])(O[6]C[6])(CC[6a]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]O[6]C)(C[6a]C[6a]Ir){1|N<3>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N[6])(O[6]C[6])(CC[6a]C){1|Ir<8>,1|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|Ir<8>,1|H<1>,1|O<2>,6|C<3>}	116.9080	0.000	1	116.9080	0.000	1	116.9080	0.000	1	118.0545	2.629	2	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:2:3:	3:4:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:N-3:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6a]O[6]N)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]O[6])(NHH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6,6]C[6]2O[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6a]O[6]N)(C[6a]C[6a]H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]O[6])(NHH){1|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6,6]C[6]2O[6])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,6|H<1>}	120.8900	0.000	1	120.8900	0.000	1	120.8900	0.000	1	120.8900	0.000	1	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:2:4:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:P-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]N[6]P)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]S[6])(PO3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]S[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]N[6]P)(C[6a]C[6a]H){1|S<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]S[6])(PO3){1|O<2>,2|O<1>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]S[6]){1|N<2>,1|P<4>,2|C<3>,2|H<1>,2|O<1>}	122.2630	0.000	1	122.2630	0.000	1	122.2630	0.000	1	118.5110	10.581	3	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:2:4:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:C-4:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]O[6]C)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(CClHH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]O[6]C)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(CClHH){1|C<4>,1|N<2>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	116.4830	0.000	1	116.6350	0.046	2	116.6350	0.046	2	118.5110	10.581	3	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:2:4:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:C-4:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]O[6]C)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(CClHH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]O[6]C)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(CClHH){1|N<2>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	116.7870	0.000	1	116.6350	0.046	2	116.6350	0.046	2	118.5110	10.581	3	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:2:4:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:C-4:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]C)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6,6a])(CH3)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]C)(C[6a]C[6a]H){1|H<1>,1|O<2>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6,6a])(CH3){3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	117.7720	0.000	1	118.3723	0.604	3	118.3723	0.604	3	118.3923	2.957	6	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:2:4:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:C-4:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]C)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6,6a])(CH3)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]C)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6,6a])(CH3){3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	118.6725	0.817	2	118.3723	0.604	3	118.3723	0.604	3	118.3923	2.957	6	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:2:4:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]O[6]C)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(CCFF)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]O[6]C)(C[6a]C[6a]H){1|C<4>,1|S<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(CCFF){1|C<4>,1|N<2>,1|N<3>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){1|N<2>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	120.4970	0.000	1	120.4970	0.000	1	118.4123	6.786	3	118.3923	2.957	6	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:2:4:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]O[6]C)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(CClHH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]O[6]C)(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(CClHH){1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	115.4920	0.000	1	115.4920	0.000	1	118.4123	6.786	3	118.3923	2.957	6	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:2:4:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]O[6]C)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(CF3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]O[6]C)(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(CF3){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	119.2480	0.000	1	119.2480	0.000	1	118.4123	6.786	3	118.3923	2.957	6	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:2:4:	3:3:4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:C-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]O[6]C)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]O[6]C)(C[6a]C[6a]H){1|O<2>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(CH3){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,1|H<1>,1|O<1>,2|C<3>,2|O<2>}	117.0845	0.697	2	117.0845	0.485	2	117.0845	0.485	2	117.0845	0.485	2	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:3:1:	3:2:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:N[6a]-2:O[6]-2:	C[6,6a](C[6,6a]N[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]N[6a]Cl)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(O[6]C[6])	C[6,6a](C[6,6a]N[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]N[6a]Cl){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)(H){1|Cl<1>,1|O<2>,2|H<1>,2|N<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(O[6]C[6]){2|Cl<1>,1|H<1>,1|N<2>,3|C<3>}	121.9325	0.104	2	121.9325	0.011	2	121.9325	0.011	2	122.0990	0.116	4	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:3:1:	3:2:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6,6a]-3:S[6a]-2:S[6]-2:	C[6,6a](C[6,6a]S[6a]S[6])(C[6]C[6a]N[6]H)(C[6a]C[6a,6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(S[6a]C[6a,6a])(S[6]C[6])	C[6,6a](C[6,6a]S[6a]S[6])(C[6]C[6a]N[6]H)(C[6a]C[6a,6a]O){2|C<4>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]C)(H){1|O<1>,2|S<2>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(S[6a]C[6a,6a])(S[6]C[6]){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	121.9300	0.000	1	121.9300	0.000	1	122.2655	0.225	2	122.0990	0.116	4	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:3:1:	3:2:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6,6a]-3:S[6a]-2:S[6]-2:	C[6,6a](C[6,6a]S[6a]S[6])(C[6]C[6a]N[6]H)(C[6a]C[6a,6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(S[6a]C[6a,6a])(S[6]C[6])	C[6,6a](C[6,6a]S[6a]S[6])(C[6]C[6a]N[6]H)(C[6a]C[6a,6a]O){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]H)(H){1|Cl<1>,1|O<1>,2|H<1>,2|S<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(S[6a]C[6a,6a])(S[6]C[6]){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	122.6010	0.000	1	122.6010	0.000	1	122.2655	0.225	2	122.0990	0.116	4	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:3:1:	3:2:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5a]-3:N[6]-3:H-1:	C[6,6a]-3:N[6a]-2:C[6]-3:	C[6,6a](C[6,6a]N[6a]C[6])(C[6]C[5a]N[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a,6a]C[5a])(N[6]C[6a]C[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(C[6]C[6]H)	C[6,6a](C[6,6a]N[6a]C[6])(C[6]C[5a]N[6]H)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a,6a]C[5a])(N[6]C[6a]C[6])(H){1|N<2>,1|N<3>,2|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(C[6]C[6]H){1|N<3>,3|C<3>,3|H<1>}	116.6370	0.000	1	116.6370	0.000	1	116.6370	0.000	1	116.6370	0.000	1	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:3:1:	3:2:4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6,6a]-3:N[6a]-2:C[6]-4:	C[6,6a](C[6,6a]N[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]C[6a,6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]HH)	C[6,6a](C[6,6a]N[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]C[6a,6a]H){1|C<4>,2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]C)(H){1|C<4>,1|N<2>,4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]HH){1|N<3>,3|H<1>,4|C<3>}	117.8795	0.600	2	117.8795	0.360	2	118.3303	0.790	3	118.3303	0.790	3	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:3:1:	3:2:4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6,6a]-3:N[6a]-2:C[6]-4:	C[6,6a](C[6,6a]N[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]C[6a,6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]N)(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]HH)	C[6,6a](C[6,6a]N[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]C[6a,6a]H){1|C<4>,1|N<2>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]N)(H){1|C<4>,1|N<2>,4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]HH){1|N<3>,3|H<1>,4|C<3>}	119.2320	0.000	1	119.2320	0.000	1	118.3303	0.790	3	118.3303	0.790	3	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:3:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5a]C[6]H)(C[6a]C[6a]H){1|C<2>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[6]C[6]C)(H){1|O<2>,2|H<1>,2|N<3>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|N<3>,3|C<3>,3|H<1>}	121.5080	0.000	1	121.5080	0.000	1	121.5080	0.000	1	120.9587	2.208	126	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:3:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5a]-3:C[6]-3:H-1:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[5a]C[6]H)(C[6a]O[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]S[5a])(C[6]C[6]C)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6])	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[5a]C[6]H)(C[6a]O[6a]O){1|S<2>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]S[5a])(C[6]C[6]C)(H){1|C<4>,1|N<2>,1|N<3>,1|O<1>,2|C<3>,2|O<2>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6]){1|N<3>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	122.5170	0.458	2	122.5170	0.210	2	122.5170	0.210	2	120.9587	2.208	126	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:3:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5a]N[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a,6a]C[5a])(N[6]C[6a]C[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5a]N[6]H)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a,6a]C[5a])(N[6]C[6a]C[6])(H){1|N<2>,1|N<3>,2|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|N<3>,3|C<3>,3|H<1>}	115.8980	0.000	1	115.8980	0.000	1	115.8980	0.000	1	120.9587	2.208	126	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:3:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5a]N[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a,6a]C[5a])(N[6]S[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]S[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5a]N[6]H)(C[6a]C[6a]H){1|S<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a,6a]C[5a])(N[6]S[6]H)(H){1|N<3>,1|O<2>,2|H<1>,2|O<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]S[6]){1|N<3>,2|C<3>,2|O<1>,3|H<1>}	122.7520	0.000	1	122.7520	0.000	1	118.9100	4.760	6	120.9587	2.208	126	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:3:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5a]N[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]N[5a]2)(N[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5a]N[6]H)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]N[5a]2)(N[6]C[6]C)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|N<2>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	117.6450	0.000	1	118.1416	1.522	5	118.9100	4.760	6	120.9587	2.208	126	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:3:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5a]N[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]N[5a]2)(N[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5a]N[6]H)(C[6a]C[6a]H){1|C<4>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]N[5a]2)(N[6]C[6]C)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|N<2>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	117.7800	1.214	3	118.1416	1.522	5	118.9100	4.760	6	120.9587	2.208	126	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:3:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5a]N[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]N[5a]2)(N[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5a]N[6]H)(C[6a]C[6a]H){1|C<4>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]N[5a]2)(N[6]C[6]C)(H){1|H<1>,1|O<1>,1|O<2>,2|N<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	119.7230	0.000	1	118.1416	1.522	5	118.9100	4.760	6	120.9587	2.208	126	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:3:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6]C[6,6]C[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]C[6]H)(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6]C[6,6]C[6])(H){1|H<1>,1|O<1>,2|O<2>,3|C<3>,5|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<4>,3|C<3>,3|H<1>}	121.6110	0.000	1	121.6110	0.000	1	121.7283	0.155	4	120.9587	2.208	126	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:3:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6]C[6]2)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]C[6]H)(C[6a]C[6a]H){1|Br<1>,1|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6]C[6]2)(H){1|H<1>,2|C<3>,2|O<1>,2|O<2>,4|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<4>,3|C<3>,3|H<1>}	122.1620	0.000	1	121.7673	0.224	3	121.7283	0.155	4	120.9587	2.208	126	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:3:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6]C[6]2)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]C[6]H)(C[6a]C[6a]H){1|C<4>,1|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6]C[6]2)(H){1|H<1>,2|C<3>,2|O<1>,2|O<2>,4|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<4>,3|C<3>,3|H<1>}	121.8970	0.000	1	121.7673	0.224	3	121.7283	0.155	4	120.9587	2.208	126	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:3:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6]C[6]2)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]C[6]H)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6]C[6]2)(H){1|H<1>,2|C<3>,2|O<1>,2|O<2>,4|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<4>,3|C<3>,3|H<1>}	121.2430	0.000	1	121.7673	0.224	3	121.7283	0.155	4	120.9587	2.208	126	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:3:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-3:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CNO)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CNO)(H){1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a]){3|H<1>,4|C<3>}	120.3930	0.288	2	120.3930	0.083	2	121.2420	1.209	12	120.9587	2.208	126	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:3:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-3:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(COO)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(COO)(H){1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a]){3|H<1>,4|C<3>}	120.5773	0.375	6	120.5773	0.141	6	121.2420	1.209	12	120.9587	2.208	126	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:3:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-3:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CH)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])2(CCH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CH)(C[6a]C[6a]O){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CCH)(H){3|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	122.5860	0.413	2	122.6635	0.112	4	121.2420	1.209	12	120.9587	2.208	126	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:3:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-3:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CH)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])2(CCH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CH)(C[6a]C[6a]O){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CCH)(H){3|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	122.7410	0.375	2	122.6635	0.112	4	121.2420	1.209	12	120.9587	2.208	126	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:3:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:H-1:	C[6,6a]-3:N[5,6]-3:S[6a]-2:	C[6,6a](C[6,6a]N[5,6]S[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a,6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C)(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(S[6a]C[6a,6a])	C[6,6a](C[6,6a]N[5,6]S[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a,6a]O){1|C<2>,1|C<4>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C)(C[6a]C[6a]2)(H){1|O<1>,1|S<2>,2|H<1>,2|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(S[6a]C[6a,6a]){1|N<3>,1|O<1>,3|H<1>,5|C<3>}	121.2280	0.000	1	121.0540	0.061	2	121.0540	0.061	2	120.9587	2.208	126	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:3:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:H-1:	C[6,6a]-3:N[5,6]-3:S[6a]-2:	C[6,6a](C[6,6a]N[5,6]S[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a,6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C)(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(S[6a]C[6a,6a])	C[6,6a](C[6,6a]N[5,6]S[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a,6a]O){1|C<4>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C)(C[6a]C[6a]2)(H){1|O<1>,1|S<2>,2|H<1>,2|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(S[6a]C[6a,6a]){1|N<3>,1|O<1>,3|H<1>,5|C<3>}	120.8800	0.000	1	121.0540	0.061	2	121.0540	0.061	2	120.9587	2.208	126	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:3:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[5,6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[5,6a]H){1|H<1>,1|O<2>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(O[6]C[6]){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	120.6587	0.188	6	120.6587	0.035	6	121.1262	1.822	24	120.9587	2.208	126	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:3:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[5,6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[5,6a]H){1|O<2>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)(H){1|N<3>,1|O<2>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(O[6]C[6]){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	119.7190	0.000	1	119.7190	0.000	1	121.1262	1.822	24	120.9587	2.208	126	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:3:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5a]C[6a])(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5a]C[6a])(O[6]C[6]){1|N<2>,1|O<1>,1|S<2>,3|C<3>,3|H<1>}	119.5400	0.000	1	119.5400	0.000	1	121.1262	1.822	24	120.9587	2.208	126	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:3:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|Br<1>,1|C<2>,1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<2>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|N<3>,3|C<3>,3|H<1>}	120.3060	0.000	1	121.0927	2.748	9	121.1262	1.822	24	120.9587	2.208	126	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:3:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|Br<1>,1|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,3|C<3>,3|H<1>}	121.8180	0.000	1	121.0927	2.748	9	121.1262	1.822	24	120.9587	2.208	126	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:3:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|Br<1>,1|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|O<1>,3|C<3>,3|H<1>}	117.0020	0.000	1	121.0927	2.748	9	121.1262	1.822	24	120.9587	2.208	126	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:3:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|Br<1>,1|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|O<2>,4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){3|C<3>,4|H<1>}	121.4700	0.000	1	121.0927	2.748	9	121.1262	1.822	24	120.9587	2.208	126	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:3:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<2>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|Cl<1>,1|N<3>,1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	122.1590	0.000	1	121.0927	2.748	9	121.1262	1.822	24	120.9587	2.208	126	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:3:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<2>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<2>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	121.9145	0.087	2	121.0927	2.748	9	121.1262	1.822	24	120.9587	2.208	126	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:3:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<2>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){2|Cl<1>,1|H<1>,1|N<3>,1|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	122.2950	0.000	1	121.0927	2.748	9	121.1262	1.822	24	120.9587	2.208	126	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:3:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<2>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|N<3>,3|C<3>,3|H<1>}	120.9550	0.000	1	121.0927	2.748	9	121.1262	1.822	24	120.9587	2.208	126	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:3:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)(H){1|O<2>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){3|H<1>,4|C<3>}	121.0160	0.000	1	121.2035	0.070	2	121.1262	1.822	24	120.9587	2.208	126	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:3:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)(H){1|O<2>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){3|H<1>,4|C<3>}	121.3910	0.000	1	121.2035	0.070	2	121.1262	1.822	24	120.9587	2.208	126	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:3:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]N)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]N)(H){1|N<3>,1|O<2>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|N<3>,3|C<3>,3|H<1>}	120.6060	0.000	1	121.1865	0.674	2	121.1262	1.822	24	120.9587	2.208	126	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:3:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]N)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]N)(H){1|N<3>,2|H<1>,2|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|N<3>,3|C<3>,3|H<1>}	121.7670	0.000	1	121.1865	0.674	2	121.1262	1.822	24	120.9587	2.208	126	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:3:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]O){3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)(H){2|O<2>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){2|H<1>,2|O<2>,3|C<3>}	122.1970	0.000	1	122.1970	0.000	1	121.1262	1.822	24	120.9587	2.208	126	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:3:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]N[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]N[6a]O){1|C<2>,1|C<4>,1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|O<1>,1|O<2>,2|H<1>,2|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|H<1>,1|O<1>,2|C<3>,2|N<3>}	124.1000	0.000	1	124.1000	0.000	1	121.1262	1.822	24	120.9587	2.208	126	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:3:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]O[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]O[6a]O){1|C<2>,1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<1>,2|H<1>,2|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	122.9060	0.000	1	122.9060	0.000	1	121.1262	1.822	24	120.9587	2.208	126	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:3:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:N[6]-3:S[6a]-2:	C[6,6a](C[6,6a]S[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]C[6a,6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6a]C[6])(S[6a]C[6a,6a])	C[6,6a](C[6,6a]S[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]C[6a,6a]O){7|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|O<1>,1|S<2>,2|H<1>,2|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6a]C[6])(S[6a]C[6a,6a]){1|H<1>,1|N<3>,1|O<1>,6|C<3>}	118.3405	0.337	2	118.3405	0.114	2	118.3405	0.114	2	120.9587	2.208	126	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:3:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:N[6a]-3:N[6]-2:	C[6,6a](C[6,6a]N[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]N[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]C)(N[6]C[6])	C[6,6a](C[6,6a]N[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]N[6a]O){2|C<4>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<2>,1|O<1>,2|H<1>,2|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]C)(N[6]C[6]){1|H<1>,1|N<3>,2|O<1>,3|C<3>}	121.8780	0.000	1	121.8780	0.000	1	121.8780	0.000	1	120.9587	2.208	126	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:3:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:N[6a]-3:O[6]-2:	C[6,6a](C[6,6a]N[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]N[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]C)(O[6]C[6])	C[6,6a](C[6,6a]N[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]N[6a]O){2|C<4>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>,2|N<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]C)(O[6]C[6]){1|C<4>,1|H<1>,1|N<3>,2|C<3>,2|O<1>}	121.6260	0.000	1	121.6260	0.000	1	121.6260	0.000	1	120.9587	2.208	126	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:3:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6])	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<2>,1|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<2>,3|H<1>,4|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6]){1|N<3>,3|H<1>,5|C<3>}	122.0830	0.172	3	121.5227	0.253	15	122.0344	0.471	32	120.9587	2.208	126	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:3:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6])	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<2>,1|O<2>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<2>,1|O<2>,3|H<1>,4|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6]){1|N<2>,3|H<1>,5|C<3>}	121.5630	0.000	1	121.5227	0.253	15	122.0344	0.471	32	120.9587	2.208	126	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:3:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6])	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<2>,1|O<2>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<2>,3|H<1>,4|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6]){1|N<3>,3|H<1>,5|C<3>}	121.4605	0.934	2	121.5227	0.253	15	122.0344	0.471	32	120.9587	2.208	126	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:3:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6])	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|F<1>,1|N<3>,1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6]){1|N<3>,3|H<1>,5|C<3>}	121.9340	0.000	1	121.5227	0.253	15	122.0344	0.471	32	120.9587	2.208	126	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:3:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6])	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<2>,3|H<1>,4|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6]){1|N<3>,3|H<1>,5|C<3>}	121.3482	0.298	5	121.5227	0.253	15	122.0344	0.471	32	120.9587	2.208	126	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:3:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6])	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,2|H<1>,2|O<2>,4|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6]){1|N<3>,3|H<1>,5|C<3>}	121.7170	0.000	1	121.5227	0.253	15	122.0344	0.471	32	120.9587	2.208	126	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:3:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6])	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|O<2>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<2>,3|H<1>,4|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6]){1|N<3>,3|H<1>,5|C<3>}	120.8580	0.249	2	121.5227	0.253	15	122.0344	0.471	32	120.9587	2.208	126	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:3:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a]C[6])(O[6]C[6])	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<2>,1|H<1>,1|N<2>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<2>,3|H<1>,4|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a]C[6])(O[6]C[6]){1|N<3>,2|H<1>,5|C<3>}	122.1155	0.142	2	122.1155	0.020	2	122.0344	0.471	32	120.9587	2.208	126	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:3:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]N[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6])	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]N[6a]O){1|C<4>,1|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)(H){1|N<3>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6]){1|N<3>,1|O<1>,2|H<1>,5|C<3>}	122.2580	0.000	1	122.2580	0.000	1	122.0344	0.471	32	120.9587	2.208	126	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:3:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]O[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6])	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]O[6a]O){1|C<2>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<1>,2|H<1>,2|O<2>,3|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6]){1|N<3>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	122.7223	0.595	4	122.7271	0.336	8	122.0344	0.471	32	120.9587	2.208	126	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:3:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]O[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6])	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]O[6a]O){6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<1>,2|H<1>,2|O<2>,3|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6]){1|N<3>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	122.7320	0.656	4	122.7271	0.336	8	122.0344	0.471	32	120.9587	2.208	126	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:3:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]O[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6])	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]O[6a]O){1|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)(H){1|Br<1>,1|H<1>,1|O<1>,2|O<2>,4|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6]){1|O<1>,1|O<2>,2|H<1>,5|C<3>}	122.4740	0.000	1	122.2700	0.083	2	122.0344	0.471	32	120.9587	2.208	126	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:3:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]O[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6])	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]O[6a]O){1|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)(H){1|O<1>,2|H<1>,2|O<2>,4|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6]){1|O<1>,1|O<2>,2|H<1>,5|C<3>}	122.0660	0.000	1	122.2700	0.083	2	122.0344	0.471	32	120.9587	2.208	126	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:3:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]O[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]N)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6])	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]O[6a]O){1|N<3>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]N)(H){1|H<1>,1|N<3>,2|C<3>,2|O<1>,3|O<2>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6]){1|N<3>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	122.2267	0.162	3	122.3537	0.082	4	122.0344	0.471	32	120.9587	2.208	126	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:3:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]O[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]N)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6])	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]O[6a]O){1|N<3>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]N)(H){1|N<3>,1|O<1>,2|H<1>,2|O<2>,3|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6]){1|N<3>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	122.7350	0.000	1	122.3537	0.082	4	122.0344	0.471	32	120.9587	2.208	126	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:3:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]C)(H){1|N<2>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	119.0870	0.000	1	119.0870	0.000	1	119.9545	1.505	2	120.9587	2.208	126	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:3:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]H)(H){1|C<4>,1|N<2>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	120.8220	0.000	1	120.8220	0.000	1	119.9545	1.505	2	120.9587	2.208	126	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:3:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[5a,6a]C[6a])(N[6]S[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]S[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H){1|S<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[5a,6a]C[6a])(N[6]S[6]H)(H){1|H<1>,2|O<1>,2|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]S[6]){1|N<3>,2|C<3>,2|O<1>,3|H<1>}	122.6310	0.000	1	122.6310	0.000	1	121.7782	2.417	4	120.9587	2.208	126	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:3:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]N)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]N)(H){1|O<2>,4|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|N<3>,3|C<3>,4|H<1>}	120.8640	0.000	1	120.8640	0.000	1	121.7782	2.417	4	120.9587	2.208	126	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:3:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]S)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H){1|S<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]S)(H){1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	120.1230	0.000	1	120.1230	0.000	1	121.7782	2.417	4	120.9587	2.208	126	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:3:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]S[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]S[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H){1|S<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]S[6]H)(H){1|O<2>,2|O<1>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]S[6]){1|N<3>,1|O<2>,2|C<3>,2|H<1>,2|O<1>}	123.4950	0.000	1	123.4950	0.000	1	121.7782	2.417	4	120.9587	2.208	126	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:3:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]S)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6])	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H){1|S<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]S)(H){1|S<2>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6]){1|N<3>,3|C<3>,3|H<1>}	119.7840	0.000	1	119.7840	0.000	1	119.7840	0.000	1	120.9587	2.208	126	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:3:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6,6a]-3:N[6a]-3:N[6]-2:	C[6,6a](C[6,6a]N[6a]N[6])(C[6]C[6a]N[6]H)(C[6a]N[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]C)(N[6]C[6])	C[6,6a](C[6,6a]N[6a]N[6])(C[6]C[6a]N[6]H)(C[6a]N[6a]O){1|H<1>,2|C<4>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]H)(H){1|H<1>,1|N<2>,1|O<1>,1|O<2>,1|S<2>,2|C<3>,2|N<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]C)(N[6]C[6]){1|C<3>,1|H<1>,1|S<2>,2|N<3>,2|O<1>}	120.2390	0.000	1	120.2390	0.000	1	120.2390	0.000	1	120.9587	2.208	126	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:3:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[5,6]-3:C-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[5,6]CH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]C[5,6])(CCH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[5,6]CH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]C[5,6])(CCH)(H){1|H<1>,1|N<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]){1|N<3>,3|C<3>,3|H<1>}	121.9755	0.168	2	121.9755	0.028	2	121.9755	0.028	2	120.9587	2.208	126	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:3:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[6]-3:C[5a]-3:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5a]N[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[5a]N[5a]2)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5a]N[6]H)(C[6a]C[6a]H){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[5a]N[5a]2)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|N<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	119.8280	0.908	3	119.8280	0.825	3	119.8280	0.825	3	120.9587	2.208	126	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:3:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:N[6a]-2:	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6]C[6a]N[6]H)(C[6a]C[6a,6a]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6]C[6a]N[6]H)(C[6a]C[6a,6a]C){1|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){1|C<4>,1|N<2>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a,6a]){1|C<4>,1|N<3>,2|H<1>,5|C<3>}	118.0520	0.000	1	118.0635	0.000	2	118.0635	0.000	2	120.9587	2.208	126	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:3:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:N[6a]-2:	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6]C[6a]N[6]H)(C[6a]C[6a,6a]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6]C[6a]N[6]H)(C[6a]C[6a,6a]C){1|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){1|N<2>,2|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a,6a]){1|N<3>,2|H<1>,6|C<3>}	118.0750	0.000	1	118.0635	0.000	2	118.0635	0.000	2	120.9587	2.208	126	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:3:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6a]-3:N[6]-2:	C[6,6a](C[6,6a]N[6a]N[6])(C[6]C[6a]N[6]H)(C[6a]N[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]C)(N[6]C[6])	C[6,6a](C[6,6a]N[6a]N[6])(C[6]C[6a]N[6]H)(C[6a]N[6a]O){2|C<4>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[6a]C[6a]2)(H){1|N<2>,1|O<1>,2|N<3>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]C)(N[6]C[6]){1|C<3>,2|H<1>,2|N<3>,2|O<1>}	120.9580	0.000	1	120.9580	0.000	1	120.9580	0.000	1	120.9587	2.208	126	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:3:1:	3:3:2:	C[6a,6a]-3:C[6]-4:C[6,6a]-3:	C[6,6a]-3:C[6,6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]O[6])	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]O[6]){2|H<1>,7|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|H<1>,1|O<1>,2|C<4>,2|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<4>,2|H<1>,4|C<3>}	120.5310	0.000	1	120.6354	0.735	7	120.6354	0.735	7	120.9587	2.208	126	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:3:1:	3:3:2:	C[6a,6a]-3:C[6]-4:C[6,6a]-3:	C[6,6a]-3:C[6,6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]O[6])	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]O[6]){2|H<1>,7|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<4>,2|H<1>,4|C<3>}	120.6528	0.938	6	120.6354	0.735	7	120.6354	0.735	7	120.9587	2.208	126	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:3:1:	3:3:2:	C[6a,6a]-3:C[6]-4:C[6,6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]O[6])	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a])	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]O[6]){2|H<1>,7|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,2|H<1>,2|N<3>,5|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|N<3>,2|H<1>,4|C<3>}	120.7340	0.000	1	120.7340	0.000	1	120.0753	0.213	7	120.9587	2.208	126	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:3:1:	3:3:2:	C[6a,6a]-3:C[6]-4:C[6,6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]O[6])	C[6](C[6,6a]C[6a,6a]C[6,6a])2(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a])	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]O[6]){2|H<1>,7|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])2(C[6a]C[6a]2)(H){1|O<2>,2|H<1>,8|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a]){2|H<1>,5|C<3>}	119.9655	0.393	6	119.9655	0.154	6	120.0753	0.213	7	120.9587	2.208	126	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:3:1:	3:3:2:	C[6a,6a]-3:C[6]-4:C[6,6a]-3:	C[6,6a]-3:N[5,6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6]N[5,6]C[6a]H)(C[6,6a]C[6a]O[6])	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]N[6a])(H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6])	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6]N[5,6]C[6a]H)(C[6,6a]C[6a]O[6]){1|N<2>,2|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]N[6a])(H){1|O<2>,2|C<4>,4|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6]){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	119.8070	0.000	1	119.8070	0.000	1	119.8070	0.000	1	120.9587	2.208	126	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:3:1:	3:3:2:	C[6a,6a]-3:C[6]-4:C[6,6a]-3:	C[6,6a]-3:N[6,6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6]N[6,6]C[6a]H)(C[6,6a]C[6a]O[6])	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6]N[6,6]C[6a]H)(C[6,6a]C[6a]O[6]){2|C<4>,2|H<1>,5|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|C<4>,1|O<2>,5|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|N<3>,3|H<1>,4|C<3>}	119.5225	0.138	2	119.4726	0.188	7	119.4726	0.188	7	120.9587	2.208	126	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:3:1:	3:3:2:	C[6a,6a]-3:C[6]-4:C[6,6a]-3:	C[6,6a]-3:N[6,6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6]N[6,6]C[6a]H)(C[6,6a]C[6a]O[6])	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6]N[6,6]C[6a]H)(C[6,6a]C[6a]O[6]){2|C<4>,2|H<1>,5|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|O<2>,2|C<4>,5|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	119.3047	0.663	3	119.4726	0.188	7	119.4726	0.188	7	120.9587	2.208	126	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:3:1:	3:3:2:	C[6a,6a]-3:C[6]-4:C[6,6a]-3:	C[6,6a]-3:N[6,6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6]N[6,6]C[6a]H)(C[6,6a]C[6a]O[6])	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6]N[6,6]C[6a]H)(C[6,6a]C[6a]O[6]){2|C<4>,2|H<1>,5|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|O<2>,3|C<4>,4|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	119.6745	0.243	2	119.4726	0.188	7	119.4726	0.188	7	120.9587	2.208	126	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:3:1:	3:3:3:	C[5a,6a]-3:C[6]-4:C[6,6a]-3:	C[6,6a]-3:C[6,6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[5a,6a]C[5a,6a]C[5a])(C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]N[6])	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]H)	C[6,6a](C[5a,6a]C[5a,6a]C[5a])(C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]N[6]){1|N<2>,1|N<3>,3|H<1>,5|C<3>}	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|C<4>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]H){1|C<4>,2|H<1>,4|C<3>}	122.6450	0.000	1	122.6450	0.000	1	122.1880	0.254	3	121.1810	3.078	62	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:3:1:	3:3:3:	C[5a,6a]-3:C[6]-4:C[6,6a]-3:	C[6,6a]-3:C[6,6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]N[6])	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]H)	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]N[6]){1|N<2>,3|H<1>,6|C<3>}	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,2|H<1>,3|N<3>,4|C<3>}	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	121.9595	0.442	2	121.9595	0.195	2	122.1880	0.254	3	121.1810	3.078	62	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:3:1:	3:3:3:	C[5a,6a]-3:C[6]-4:C[6,6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a](C[5a,6a]C[5a,6a]C[5a])(C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]N[6])	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[5a,6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H)	C[6,6a](C[5a,6a]C[5a,6a]C[5a])(C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]N[6]){1|N<2>,1|N<3>,3|H<1>,5|C<3>}	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H){1|O<1>,2|H<1>,3|N<3>,5|C<3>}	C[6,6a](C[6,6a]C[5a,6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	118.1250	0.000	1	118.1250	0.000	1	118.1250	0.000	1	121.1810	3.078	62	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:3:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6]C[5,6]C[6a]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6]C[5,6]H)	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6]C[5,6]C[6a]H)(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6]C[5,6]H){1|C<4>,3|H<1>,5|C<3>}	122.9660	1.038	3	122.9477	0.720	4	122.9477	0.720	4	121.1810	3.078	62	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:3:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6]C[5,6]C[6a]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6]C[5,6]H)	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6]C[5,6]C[6a]H)(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6]C[5,6]H){1|C<4>,3|H<1>,5|C<3>}	122.8930	0.000	1	122.9477	0.720	4	122.9477	0.720	4	121.1810	3.078	62	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:3:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5a]N[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a,6a]C[5a])(N[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5a]N[6]H)(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a,6a]C[5a])(N[6]C[6]C)(H){1|O<1>,2|H<1>,2|N<3>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	120.6060	0.000	1	120.6060	0.000	1	120.6060	0.000	1	121.1810	3.078	62	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:3:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6]C[6,6]C[6a]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6]C[6,6]H)	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6]C[6,6]C[6a]H)(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6]C[6,6]H){1|C<4>,1|N<2>,3|H<1>,4|C<3>}	121.7390	0.198	2	121.7390	0.039	2	121.7390	0.039	2	121.1810	3.078	62	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:3:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-3:H-1:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(COS)(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])2(COS)(H){1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H){3|H<1>,4|C<3>}	119.9110	0.349	2	119.9110	0.122	2	119.9110	0.122	2	121.1810	3.078	62	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:3:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6a]H)(C[6a]C[6a,6a]H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6a]H)(C[6a]C[6a,6a]H){1|H<1>,7|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H){2|C<4>,2|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H){1|O<2>,2|H<1>,6|C<3>}	123.2030	0.000	1	123.2030	0.000	1	123.2030	0.000	1	121.1810	3.078	62	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:3:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:N-3:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HN)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])2(NCH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HN)(C[6a]C[6a]O){1|O<1>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(NCH)(H){2|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	122.4104	0.544	16	122.4104	0.296	16	122.4104	0.296	16	121.1810	3.078	62	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:3:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-3:C-3:Cl-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]ClC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(COO)(Cl)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]ClC)(C[6a]C[6a]H){1|O<1>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(COO)(Cl){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|Br<1>,1|Cl<1>,2|H<1>,3|C<3>}	119.6320	0.000	1	119.6320	0.000	1	119.6320	0.000	1	121.1810	3.078	62	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:3:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[5a,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[5a,6a]N[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6,6a](C[5a,6a]C[5a,6a]C[5a])(C[6,6a]C[6a]C[6])(N[6]C[6]H)	C[6,6a](C[6,6a]C[5a,6a]N[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,3|H<1>,5|C<3>}	C[6,6a](C[5a,6a]C[5a,6a]C[5a])(C[6,6a]C[6a]C[6])(N[6]C[6]H){1|N<3>,3|H<1>,5|C<3>}	121.4930	0.000	1	121.4930	0.000	1	121.4930	0.000	1	121.1810	3.078	62	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:3:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){4|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){4|H<1>,5|C<3>}	121.3940	0.000	1	121.3940	0.000	1	121.3940	0.000	1	121.1810	3.078	62	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:3:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]O){1|H<1>,1|O<2>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){2|H<1>,2|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C){1|H<1>,3|C<3>,3|O<2>}	121.9740	0.000	1	121.9740	0.000	1	121.9740	0.000	1	121.1810	3.078	62	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:3:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<4>,3|C<3>,3|H<1>}	119.9810	0.000	1	119.9810	0.000	1	119.6840	0.176	2	121.1810	3.078	62	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:3:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|S<4>,2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){3|H<1>,4|C<3>}	119.3870	0.000	1	119.3870	0.000	1	119.6840	0.176	2	121.1810	3.078	62	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:3:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]S)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]C){1|C<4>,1|S<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]S)(H){2|C<4>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2){1|N<3>,2|C<3>,3|C<4>,4|H<1>}	119.3200	0.000	1	119.3200	0.000	1	118.3622	1.321	4	121.1810	3.078	62	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:3:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]C)(H){3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|N<3>,3|C<3>,3|H<1>}	118.8230	0.000	1	118.8230	0.000	1	118.3622	1.321	4	121.1810	3.078	62	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:3:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]S)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H){1|S<4>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]S)(H){1|N<3>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){2|C<3>,2|N<3>,3|H<1>}	118.6090	0.000	1	117.6530	1.828	2	118.3622	1.321	4	121.1810	3.078	62	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:3:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]S)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H){1|S<4>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]S)(H){1|S<2>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|N<3>,1|S<2>,2|C<3>,3|H<1>}	116.6970	0.000	1	117.6530	1.828	2	118.3622	1.321	4	121.1810	3.078	62	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:3:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H){4|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]H)(H){1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	118.6030	0.000	1	118.6030	0.000	1	120.5980	7.960	2	121.1810	3.078	62	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:3:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]S[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Cl)(N[6]S[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H){2|Cl<1>,1|S<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]S[6]H)(H){1|N<3>,1|O<2>,2|H<1>,2|O<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Cl)(N[6]S[6]H){1|N<3>,2|C<3>,2|O<1>,3|H<1>}	122.5930	0.000	1	122.5930	0.000	1	120.5980	7.960	2	121.1810	3.078	62	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:3:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6,6a]-3:N[6a]-3:C[6]-3:	C[6,6a](C[6,6a]N[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]N[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]C)(C[6]C[6]H)	C[6,6a](C[6,6a]N[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]N[6a]O){2|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]H)(H){1|O<1>,2|N<3>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]C)(C[6]C[6]H){1|C<3>,2|H<1>,2|N<3>,2|O<1>}	121.4520	0.000	1	121.4520	0.000	1	121.4520	0.000	1	121.1810	3.078	62	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:3:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[5,6]-3:C-3:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5,6]CH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(CNO)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]C)(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5,6]CH)(C[6a]C[6a]H){1|C<4>,2|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(CNO)(H){1|H<1>,1|O<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]C)(C[6a]C[6a]O){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	119.3155	0.810	2	119.3155	0.656	2	119.3155	0.656	2	121.1810	3.078	62	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:3:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[5a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5a]N[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5a]C[5a,6a]C[5a])(N[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5a]N[6]H)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5a]C[5a,6a]C[5a])(N[6]C[6]C)(H){3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,2|N<3>,4|H<1>}	120.6270	1.008	2	120.6270	1.017	2	120.6270	1.017	2	121.1810	3.078	62	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:3:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[6,6]-3:N-3:H-1:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]N[6,6]HN)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(NHS)(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]C)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]N[6,6]HN)(C[6a]C[6a]H){2|C<3>,4|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(NHS)(H){1|N<3>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]C){2|C<3>,2|N<3>,7|H<1>}	120.6420	0.000	1	120.6420	0.000	1	120.6420	0.000	1	121.1810	3.078	62	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:3:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[6,6]-3:N-3:H-1:	N[3x6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]N[3x6]C[6a])(C[6]N[6,6]HN)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[3x6])(NC[6a]H)(H)	C[6,6a](N[3x6]C[3x6]C[6,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[3x6]C[6a])(C[6]N[6,6]HN)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[3x6])(NC[6a]H)(H){1|N<3>,2|H<1>,5|C<3>}	C[6,6a](N[3x6]C[3x6]C[6,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){3|C<3>,3|N<3>,5|H<1>}	120.3435	0.371	2	120.3435	0.138	2	120.3435	0.138	2	121.1810	3.078	62	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:3:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[6]-3:C[5]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5]N[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[5]C[5]2)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5]N[6]H)(C[6a]C[6a]H){1|O<2>,2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[5]C[5]2)(H){1|C<4>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|N<3>,1|O<2>,2|C<3>,3|H<1>}	118.7260	0.000	1	118.7260	0.000	1	118.7260	0.000	1	121.1810	3.078	62	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:3:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:H-1:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6]C[6a]N[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5a,6]C[6a])(C[6a]C[6a]2)(H)	C[6,6a](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6]C[6a]N[6]H)(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5a,6]C[6a])(C[6a]C[6a]2)(H){1|N<3>,3|H<1>,7|C<3>}	C[6,6a](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,2|N<3>,3|H<1>}	120.0010	0.000	1	120.0010	0.000	1	120.4190	0.349	2	121.1810	3.078	62	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:3:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:H-1:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6]C[6a]N[6]H)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5a,6]C[6a])(C[6a]C[6a]2)(H)	C[6,6a](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6]C[6a]N[6]H)(C[6a]C[6a]O){2|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5a,6]C[6a])(C[6a]C[6a]2)(H){1|N<3>,1|O<2>,2|H<1>,7|C<3>}	C[6,6a](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<2>,1|O<2>,2|C<3>,2|H<1>,2|N<3>}	120.8370	0.000	1	120.8370	0.000	1	120.4190	0.349	2	121.1810	3.078	62	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:3:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C[6a])(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C[6a])(C[6a]C[6a]2)(H){3|H<1>,8|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<2>,1|N<3>,3|H<1>,4|C<3>}	116.7780	0.000	1	116.7780	0.000	1	116.7780	0.000	1	121.1810	3.078	62	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:3:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]C[6a]H)(C[6a]C[6a]H)	C[6](N[5a,6]C[5a,6,6a]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[5a,6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]C)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]C[6a]H)(C[6a]C[6a]H){2|C<2>,6|C<3>}	C[6](N[5a,6]C[5a,6,6a]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H){4|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[5a,6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]C){2|N<3>,3|H<1>,4|C<3>}	124.7020	0.612	2	124.7020	0.375	2	124.7020	0.375	2	121.1810	3.078	62	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:3:1:	3:3:3:	C[6a,6a]-3:C[6]-4:C[6,6a]-3:	C[6,6a]-3:C[5,6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]N[6])	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]N[6]){3|H<1>,7|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]H){1|C<4>,2|H<1>,4|C<3>}	121.8020	0.000	1	121.7810	0.001	2	121.7810	0.001	2	121.1810	3.078	62	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:3:1:	3:3:3:	C[6a,6a]-3:C[6]-4:C[6,6a]-3:	C[6,6a]-3:C[5,6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]N[6])	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]N[6]){3|H<1>,7|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|C<4>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]H){1|C<4>,2|H<1>,4|C<3>}	121.7600	0.000	1	121.7810	0.001	2	121.7810	0.001	2	121.1810	3.078	62	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:3:1:	3:3:3:	C[6a,6a]-3:C[6]-4:C[6,6a]-3:	C[6,6a]-3:C[6,6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]N[6])	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]N[6]){3|H<1>,7|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|C<4>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]H){1|C<4>,2|H<1>,4|C<3>}	119.5620	0.000	1	119.5620	0.000	1	119.5620	0.000	1	121.1810	3.078	62	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:3:1:	3:3:3:	C[6a,6a]-3:C[6]-4:C[6,6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]N[6])	C[6](C[6,6a]C[6a,6a]C[6,6a])2(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]N[6]){3|H<1>,7|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])2(C[6a]C[6a]2)(H){1|N<3>,2|H<1>,8|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H){2|H<1>,5|C<3>}	119.7250	0.045	2	119.7250	0.002	2	119.7250	0.002	2	121.1810	3.078	62	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:3:1:	3:3:3:	C[6a,6a]-3:C[6]-4:C[6,6a]-3:	C[6,6a]-3:N[5,6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6]N[5,6]C[6a]H)(C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6]N[5,6]C[6a]H)(C[6,6a]C[6a]C[6]){1|C<4>,1|O<1>,2|H<1>,6|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H){1|O<1>,2|C<4>,3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	121.5760	0.000	1	121.5760	0.000	1	121.5760	0.000	1	121.1810	3.078	62	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:3:1:	3:3:4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a]N[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a,6a]C[5a])(N[6]C[6]S)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a]N[6]H)(C[6a]C[6a]H){1|C<4>,1|S<4>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a,6a]C[5a])(N[6]C[6]S)(H){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,2|C<3>,5|H<1>}	122.8735	0.515	2	122.8735	0.266	2	122.0492	1.187	6	121.4491	1.594	71	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:3:1:	3:3:4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a]N[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]N[5a,6a]C[5a])(N[6]C[6a]C[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a]N[6]H)(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]N[5a,6a]C[5a])(N[6]C[6a]C[6])(H){1|C<4>,1|N<2>,3|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,2|C<3>,5|H<1>}	122.2695	1.029	2	122.2695	1.059	2	122.0492	1.187	6	121.4491	1.594	71	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:3:1:	3:3:4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a]N[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]N[5a]2)(N[6]C[6]N)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a]N[6]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<2>,2|N<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]N[5a]2)(N[6]C[6]N)(H){2|C<3>,2|C<4>,2|N<2>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,2|C<3>,5|H<1>}	120.3070	0.000	1	120.3070	0.000	1	122.0492	1.187	6	121.4491	1.594	71	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:3:1:	3:3:4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a]N[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]N[5a]O[5a])(N[6]C[6]N)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a]N[6]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<2>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]N[5a]O[5a])(N[6]C[6]N)(H){1|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,2|C<3>,5|H<1>}	121.7020	0.000	1	121.7020	0.000	1	122.0492	1.187	6	121.4491	1.594	71	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:3:1:	3:3:4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]C[5,6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]S)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]C[5,6a]H){1|O<2>,1|S<3>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]S)(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[6]HH){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	120.1925	1.486	4	120.1925	2.209	4	121.1587	1.278	22	121.4491	1.594	71	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:3:1:	3:3:4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]C)(H){1|C<4>,4|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,1|O<2>,2|C<3>,4|H<1>}	121.6890	0.000	1	121.7216	0.949	8	121.1587	1.278	22	121.4491	1.594	71	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:3:1:	3:3:4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]C)(H){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,1|O<2>,2|C<3>,4|H<1>}	122.6110	0.444	2	121.7216	0.949	8	121.1587	1.278	22	121.4491	1.594	71	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:3:1:	3:3:4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]C)(H){1|C<4>,4|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,1|O<2>,3|C<3>,3|H<1>}	122.0727	0.518	3	121.7216	0.949	8	121.1587	1.278	22	121.4491	1.594	71	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:3:1:	3:3:4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]C)(H){2|C<4>,4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<2>,2|C<3>,3|H<1>}	120.3220	0.191	2	121.7216	0.949	8	121.1587	1.278	22	121.4491	1.594	71	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:3:1:	3:3:4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]H)(H){1|C<4>,4|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,1|O<2>,2|C<3>,4|H<1>}	121.6440	0.000	1	121.2070	0.765	9	121.1587	1.278	22	121.4491	1.594	71	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:3:1:	3:3:4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]H)(H){1|C<4>,4|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,1|O<2>,3|C<3>,3|H<1>}	121.1672	1.169	5	121.2070	0.765	9	121.1587	1.278	22	121.4491	1.594	71	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:3:1:	3:3:4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]H)(H){2|C<4>,4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<2>,2|C<3>,3|H<1>}	121.3920	0.126	2	121.2070	0.765	9	121.1587	1.278	22	121.4491	1.594	71	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:3:1:	3:3:4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H){1|C<4>,3|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]H)(H){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,2|C<3>,5|H<1>}	120.5990	0.000	1	121.2070	0.765	9	121.1587	1.278	22	121.4491	1.594	71	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:3:1:	3:3:4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]S)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H){1|S<3>,4|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]S)(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	120.0850	0.000	1	120.0850	0.000	1	121.1587	1.278	22	121.4491	1.594	71	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:3:1:	3:3:4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[5a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5a]C[5a]N[5a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5a]C[6]H)(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5a]C[5a]N[5a])(C[6]C[6]H)(H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|N<3>,2|C<3>,4|H<1>}	121.4932	0.368	6	121.4932	0.135	6	121.5444	0.107	8	121.4491	1.594	71	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:3:1:	3:3:4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[5a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5a]C[5a]N[5a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HN)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5a]C[6]H)(C[6a]C[6a]H){2|N<3>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5a]C[5a]N[5a])(C[6]C[6]H)(H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HN){1|N<3>,2|C<3>,4|H<1>}	121.6980	0.102	2	121.6980	0.010	2	121.5444	0.107	8	121.4491	1.594	71	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:3:1:	3:3:4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[5a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5a]N[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5a]C[5a,6a]C[5a])(N[6]C[6]N)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5a]N[6]H)(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5a]C[5a,6a]C[5a])(N[6]C[6]N)(H){1|C<4>,4|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,2|N<3>,5|H<1>}	121.6670	0.000	1	121.6670	0.000	1	121.6660	0.000	2	121.4491	1.594	71	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:3:1:	3:3:4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[5a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5a]N[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5a]C[5a]N[5a])(N[6]C[5]C[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5a]N[6]H)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5a]C[5a]N[5a])(N[6]C[5]C[6])(H){2|C<4>,2|N<2>,4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,2|N<3>,5|H<1>}	121.6650	0.000	1	121.6650	0.000	1	121.6660	0.000	2	121.4491	1.594	71	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:3:1:	3:3:4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[6]-3:C[5]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5]N[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[5]C[5]2)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5]N[6]H)(C[6a]C[6a]H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[5]C[5]2)(H){1|N<3>,1|O<1>,2|C<4>,4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,1|O<2>,2|C<3>,4|H<1>}	124.0840	0.000	1	124.0840	0.000	1	124.0840	0.000	1	121.4491	1.594	71	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:3:1:	3:3:4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[6]-3:C[5a]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a]N[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5]C[6])(C[5a]N[5a]2)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a]N[6]H)(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5]C[6])(C[5a]N[5a]2)(H){2|C<4>,2|N<2>,4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,1|O<2>,2|C<3>,4|H<1>}	122.2020	0.000	1	121.7035	0.497	2	121.7035	0.497	2	121.4491	1.594	71	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:3:1:	3:3:4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[6]-3:C[5a]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a]N[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5]C[6])(C[5a]N[5a]2)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a]N[6]H)(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5]C[6])(C[5a]N[5a]2)(H){2|C<4>,2|N<2>,4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,2|C<3>,5|H<1>}	121.2050	0.000	1	121.7035	0.497	2	121.7035	0.497	2	121.4491	1.594	71	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:3:1:	3:3:4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[6a]C[6a]2)(H){1|C<4>,1|F<1>,4|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,1|O<2>,2|C<3>,4|H<1>}	121.0271	1.599	14	121.3974	2.284	30	121.3974	2.284	30	121.4491	1.594	71	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:3:1:	3:3:4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,2|C<3>,5|H<1>}	122.9350	0.000	1	121.3974	2.284	30	121.3974	2.284	30	121.4491	1.594	71	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:3:1:	3:3:4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,2|O<2>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,2|C<3>,5|H<1>}	123.1705	0.534	2	121.3974	2.284	30	121.3974	2.284	30	121.4491	1.594	71	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:3:1:	3:3:4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[6a]C[6a]2)(H){1|C<4>,2|F<1>,3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,1|O<2>,2|C<3>,4|H<1>}	122.0143	0.553	4	121.3974	2.284	30	121.3974	2.284	30	121.4491	1.594	71	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:3:1:	3:3:4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[6a]C[6a]2)(H){1|C<4>,5|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,1|O<2>,2|C<3>,4|H<1>}	121.1343	1.544	9	121.3974	2.284	30	121.3974	2.284	30	121.4491	1.594	71	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:3:1:	3:4:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:B-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]BH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(BPtN)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]BH)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]BH)(C[6a]C[6a]H){1|B<3>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])2(BPtN)(H){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]BH)(C[6a]C[6a]H){1|B<3>,3|C<3>,3|H<1>}	117.0722	0.137	4	117.0722	0.019	4	117.0722	0.019	4	120.6450	3.705	24	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:3:1:	3:4:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(COO)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(COO)(H){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){3|H<1>,4|C<3>}	121.3800	0.143	2	121.3800	0.020	2	121.3800	0.020	2	120.6450	3.705	24	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:3:1:	3:4:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:N-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HN)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(NC[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HN)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HN)(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])2(NC[6a]H)(H){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HN)(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	119.6703	0.233	4	119.6703	0.054	4	119.6703	0.054	4	120.6450	3.705	24	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:3:1:	3:4:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6,6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6,6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6,6a]O){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6,6a]O){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	121.0502	0.557	6	121.0502	0.310	6	121.7870	0.763	12	120.6450	3.705	24	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:3:1:	3:4:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]O){1|O<2>,3|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]O){1|O<2>,3|H<1>,5|C<3>}	122.5238	0.255	6	122.5238	0.065	6	121.7870	0.763	12	120.6450	3.705	24	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:3:1:	3:4:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]S)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H){1|C<4>,1|S<4>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]S)(H){1|C<4>,4|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|N<3>,4|C<3>,5|H<1>}	122.1530	0.666	2	122.1530	0.444	2	122.1530	0.444	2	120.6450	3.705	24	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:3:1:	4:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6]-3:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6]C[6])(H)	C[6,6a](C[5,6]C[6,6a]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[6,6a]C[6]H)(C[6a]C[6a]H){1|C<4>,2|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6]C[6])(H){1|C<4>,3|H<1>,7|C<3>}	C[6,6a](C[5,6]C[6,6a]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,1|O<1>,3|H<1>,7|C<3>}	116.3085	1.374	2	116.3085	1.888	2	116.3085	1.888	2	117.5460	5.833	5	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:3:1:	4:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[6,6a]C[6a]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H)	C[6,6a](C[5,6]C[6,6a]C[5]N[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[6,6a]C[6a]H)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H){2|C<4>,3|H<1>,6|C<3>}	C[6,6a](C[5,6]C[6,6a]C[5]N[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<4>,4|H<1>,6|C<3>}	116.8175	1.364	2	116.8175	1.861	2	116.8175	1.861	2	117.5460	5.833	5	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:3:1:	4:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[6,6]-3:C-3:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]N[6,6]CH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(CNO)(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]N[6,6]CH)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(CNO)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,3|C<3>,6|H<1>}	121.4780	0.000	1	121.4780	0.000	1	121.4780	0.000	1	117.5460	5.833	5	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:3:2:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5a]-3:C[6]-3:O-2:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]S[5a])(C[6]C[6,6a]O)(OH)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6]O)(C[6a]C[6a]H){1|O<1>,1|S<2>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]S[5a])(C[6]C[6,6a]O)(OH){1|N<2>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,3|H<1>,5|C<3>}	120.9090	0.000	1	120.9090	0.000	1	120.9090	0.000	1	120.9895	3.097	6	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:3:2:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-3:C-2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CCC)(CN)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CCC)(CN){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|C<2>,2|H<1>,4|C<3>}	121.7923	0.142	3	121.7923	0.020	3	121.7923	0.020	3	120.9895	3.097	6	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:3:2:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]2O[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(O[6]C[6,6a])	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]2O[6])(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(O[6]C[6,6a]){1|N<3>,5|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|H<1>,2|N<3>,3|C<3>}	117.5020	0.000	1	117.5020	0.000	1	117.5020	0.000	1	120.9895	3.097	6	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:3:2:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:C-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6]C)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]C)(CC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6]C)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]C)(CC){4|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<2>,1|N<3>,2|C<3>,3|H<1>}	122.1490	0.000	1	122.1490	0.000	1	122.1490	0.000	1	120.9895	3.097	6	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:3:2:	3:4:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-3:C-2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CCC)(CN)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|C<2>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CCC)(CN){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|C<2>,2|H<1>,4|C<3>}	122.7567	0.314	4	122.7567	0.099	4	122.7567	0.099	4	122.5817	0.246	9	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:3:2:	3:4:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:O-2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6]C[6]H)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]O)(C[6a]C[6a]H){1|O<2>,3|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6]C[6]H)(OC){1|C<4>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]O)(C[6a]C[6a]H){1|O<2>,3|H<1>,5|C<3>}	122.8620	0.349	2	122.8620	0.122	2	122.4416	0.364	5	122.5817	0.246	9	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:3:2:	3:4:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:O-2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6]C[6]H)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]O)(C[6a]C[6a]H){1|O<2>,3|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6]C[6]H)(OH){1|C<4>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]O)(C[6a]C[6a]H){1|O<2>,3|H<1>,5|C<3>}	122.1460	0.861	2	122.1460	0.742	2	122.4416	0.364	5	122.5817	0.246	9	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:3:2:	3:4:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:O-2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]N)(OO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]2C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]O)(C[6a]C[6a]H){1|N<2>,2|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]N)(OO){1|C<4>,1|N<2>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]2C[6])(C[6a]C[6a]H){1|N<2>,1|O<2>,2|H<1>,7|C<3>}	122.1920	0.000	1	122.1920	0.000	1	122.4416	0.364	5	122.5817	0.246	9	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:3:2:	4:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-3:C-2:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CCC)(CN)	C[6,6a](C[6]C[6,6a]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|C<2>,1|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CCC)(CN){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6]C[6,6a]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<2>,1|C<4>,3|H<1>,5|C<3>}	120.6070	0.075	2	120.6070	0.006	2	120.6070	0.006	2	120.6070	0.006	2	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:3:3:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5a]-3:N[6]-3:C-3:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[5a]N[6]C)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]N[5a])(N[6]C[6]H)(COO)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6])	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[5a]N[6]C)(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<2>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]N[5a])(N[6]C[6]H)(COO){1|O<1>,1|O<2>,1|S<4>,2|H<1>,4|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6]){1|N<3>,1|O<1>,2|H<1>,5|C<3>}	118.8880	0.000	1	118.8880	0.000	1	118.8880	0.000	1	120.1900	3.359	7	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:3:3:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:C-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]N[6]C)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]C)(COO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]N[6]C)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]C)(COO){1|N<2>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|H<1>,1|N<3>,1|O<2>,4|C<3>}	118.6210	0.201	2	118.6210	0.040	2	118.6210	0.040	2	120.1900	3.359	7	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:3:3:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:C-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]N[6]C)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]H)(COO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]N[6]C)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]H)(COO){1|O<2>,4|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|N<3>,3|H<1>,4|C<3>}	119.2280	0.000	1	119.2280	0.000	1	121.5277	3.972	3	120.1900	3.359	7	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:3:3:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:C-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]N[6]C)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]S[6]H)(COO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]S[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]N[6]C)(C[6a]C[6a]H){1|S<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]S[6]H)(COO){1|O<2>,2|O<1>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]S[6]){1|N<3>,2|H<1>,2|O<1>,3|C<3>}	122.6775	0.107	2	122.6775	0.011	2	121.5277	3.972	3	120.1900	3.359	7	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:3:3:	3:3:2:	C[6a,6a]-3:C[6]-4:C[6,6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]C[6a]N)(C[6,6a]C[6a]O[6])	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(NCH)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a])	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]C[6a]N)(C[6,6a]C[6a]O[6]){2|H<1>,7|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(NCH){4|O<2>,7|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,1|N<3>,5|C<3>}	120.6170	0.000	1	120.6170	0.000	1	120.6170	0.000	1	120.1900	3.359	7	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:3:3:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-3:C[5a]-3:C[5a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]2C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(C[5a]C[5a]2)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]2C[6])(C[6a]C[6a]H){1|Br<1>,1|H<1>,1|O<1>,7|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(C[5a]C[5a]2)2{2|C<4>,2|S<2>,3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){3|H<1>,6|C<3>}	120.4040	0.000	1	120.4040	0.000	1	120.4040	0.000	1	119.4357	4.957	6	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:3:3:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]2C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3]C[6])(C[6a]C[6a]2)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]2C[6])(C[6a]C[6a]H){1|C<4>,3|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3]C[6])(C[6a]C[6a]2)2{1|N<3>,2|C<4>,6|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){3|H<1>,5|C<3>}	122.2050	0.000	1	122.2050	0.000	1	122.2050	0.000	1	119.4357	4.957	6	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:3:3:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]2C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]2C[6])(C[6a]C[6a]H){1|O<1>,2|H<1>,7|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(C[6]C[6]O){1|S<4>,5|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|S<4>,2|H<1>,6|C<3>}	121.0020	0.000	1	121.0020	0.000	1	121.0020	0.000	1	119.4357	4.957	6	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:3:3:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[5a]-3:C[6]-3:C[6a]-3:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6]C[6a]N[5a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5a]C[5a]N[5a])(C[6]N[5a,6]N)(C[6a]C[6a]2)	C[6,6a](N[5a,6]N[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6]C[6a]N[5a]C[6])(C[6a]C[6a]H){1|N<2>,2|H<1>,2|N<3>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5a]C[5a]N[5a])(C[6]N[5a,6]N)(C[6a]C[6a]2){1|O<1>,2|N<3>,4|H<1>,6|C<3>}	C[6,6a](N[5a,6]N[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,2|H<1>,2|N<3>,4|C<3>}	116.4940	0.000	1	116.4940	0.000	1	116.4940	0.000	1	119.4357	4.957	6	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:3:3:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]2N[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]O)(C[6a]C[6a]2)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]2N[6])(C[6a]C[6a]H){1|O<1>,2|H<1>,7|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]O)(C[6a]C[6a]2)2{5|H<1>,8|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,3|H<1>,5|C<3>}	119.3220	0.000	1	119.3220	0.000	1	119.3220	0.000	1	119.4357	4.957	6	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:3:3:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6a]2N[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]H)(C[6a]C[6a]2)2	C[6,6a](C[6,6a]C[6a,6a]C[6,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])	C[6,6a](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6a]2N[6])(C[6a]C[6a]H){2|H<1>,8|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]H)(C[6a]C[6a]2)2{5|H<1>,8|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6]){1|N<3>,2|H<1>,8|C<3>}	117.1870	0.000	1	117.1870	0.000	1	117.1870	0.000	1	119.4357	4.957	6	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:3:3:	3:3:4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]2C[6])(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(C[6]O[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]CH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]2C[6])(C[6a]C[6a]O){1|C<4>,1|O<1>,1|O<2>,3|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(C[6]O[6]O){1|C<4>,1|O<2>,4|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]CH){2|O<2>,4|C<3>}	122.7730	0.000	1	122.7730	0.000	1	122.7730	0.000	1	122.7450	0.002	2	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:3:3:	3:3:4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:C-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6]C)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]C)(COO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6]C)(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]C)(COO){1|C<4>,4|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,3|C<3>,4|H<1>}	122.7170	0.000	1	122.7170	0.000	1	122.7170	0.000	1	122.7450	0.002	2	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:3:3:	3:4:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[5,6]-3:C[6,6a]-3:C-3:C-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]CC)(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]C[5,6])(C[6,6a]C[6,6a]C[6a])(COO)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]CC)(C[6a]C[6a]H){3|C<3>,4|H<1>}	C[6](C[5,6]C[5,6a]C[5,6])(C[6,6a]C[6,6a]C[6a])(COO)2{1|H<1>,2|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	121.5880	0.000	1	121.5880	0.000	1	121.5880	0.000	1	120.9287	14.276	3	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:3:3:	3:4:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]2C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(C[6]C[6]N)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]2C[6])(C[6a]C[6a]H){1|N<2>,1|O<2>,2|H<1>,7|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(C[6]C[6]N){1|C<4>,1|N<2>,5|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]O)(C[6a]C[6a]H){1|N<2>,2|H<1>,6|C<3>}	124.3340	0.000	1	124.3340	0.000	1	120.5990	27.900	2	120.9287	14.276	3	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:3:3:	3:4:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]2C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(C[6]O[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]O[6]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]2C[6])(C[6a]C[6a]H){1|O<1>,1|O<2>,3|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(C[6]O[6]O){1|C<4>,5|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]O[6]H)(C[6a]C[6a]H){2|H<1>,6|C<3>}	116.8640	0.000	1	116.8640	0.000	1	120.5990	27.900	2	120.9287	14.276	3	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:3:3:	4:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[6,6a]C[6a]2)(C[6a]C[6a]H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)2	C[6,6a](C[5,6]C[5,6,6a]C[5,5a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[6,6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,9|C<3>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)2{1|Cl<1>,1|C<4>,5|H<1>,8|C<3>}	C[6,6a](C[5,6]C[5,6,6a]C[5,5a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|H<1>,9|C<3>}	122.1190	0.000	1	122.1190	0.000	1	122.1190	0.000	1	122.1190	0.000	1	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:3:4:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:C-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]C)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]C)(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)(CH3){1|O<2>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	122.4500	0.000	1	122.4500	0.000	1	122.4500	0.000	1	123.0095	0.626	2	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:3:4:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:C-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]N[6]C)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]S[6]H)(CCHH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]S[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]N[6]C)(C[6a]C[6a]H){1|S<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]S[6]H)(CCHH){1|O<2>,2|O<1>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]S[6]){1|C<4>,1|N<3>,2|C<3>,2|H<1>,2|O<1>}	123.5690	0.000	1	123.5690	0.000	1	123.5690	0.000	1	123.0095	0.626	2	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:3:4:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:C-4:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(C[6a]C[6a]2)(CHHP)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(C[6a]C[6a]H){1|O<1>,2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(C[6a]C[6a]2)(CHHP){3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,3|H<1>,5|C<3>}	122.4760	0.000	1	122.4760	0.000	1	122.4760	0.000	1	120.8937	1.331	6	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:3:4:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:C-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]C)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]N)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]C)(C[6a]C[6a]H){1|N<2>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]N)(CH3){4|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<4>,3|C<3>,3|H<1>}	119.7000	0.000	1	119.7000	0.000	1	120.9360	3.055	2	120.8937	1.331	6	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:3:4:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:C-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]C)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]O)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]C)(C[6a]C[6a]H){1|N<3>,2|H<1>,2|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]O)(CH3){1|O<2>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	122.1720	0.000	1	122.1720	0.000	1	120.9360	3.055	2	120.8937	1.331	6	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:3:4:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]2C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]2C[6])(C[6a]C[6a]H){3|C<4>,3|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(C[6]C[6]HH){1|N<3>,6|C<3>,7|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<4>,3|C<3>,4|H<1>}	120.6470	0.000	1	120.6470	0.000	1	120.3640	0.160	2	120.8937	1.331	6	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:3:4:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]2C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(C[6]C[6]HN)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]2C[6])(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<4>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(C[6]C[6]HN){1|N<3>,6|C<3>,7|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6]H){1|C<4>,3|C<3>,4|H<1>}	120.0810	0.000	1	120.0810	0.000	1	120.3640	0.160	2	120.8937	1.331	6	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:3:4:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-3:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]N[6]C)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]H)(CF3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]N[6]C)(C[6a]C[6a]H){1|Cl<1>,1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]H)(CF3){1|N<3>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	120.2860	0.000	1	120.2860	0.000	1	120.2860	0.000	1	120.8937	1.331	6	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:3:4:	3:3:4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]2C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(C[6]C[6]CC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]2C[6])(C[6a]C[6a]H){1|C<4>,2|C<2>,4|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(C[6]C[6]CC){1|C<4>,6|C<3>,7|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,3|C<3>,4|H<1>}	118.0250	0.000	1	118.0250	0.000	1	118.0250	0.000	1	118.0250	0.000	1	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:3:4:	4:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:C-4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6a]C[6]C)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]O)(C[6a]C[6a]2)(CH3)	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6a]C[6]C)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]O)(C[6a]C[6a]2)(CH3){2|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){3|C<3>,3|C<4>,4|H<1>}	121.2430	0.000	1	121.2430	0.000	1	121.2430	0.000	1	121.2430	0.000	1	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:1:	3:2:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:N[6a]-2:N[6]-3:	C[6,6a](C[6,6a]N[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]N[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HN)(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(N[6]C[6]H)	C[6,6a](C[6,6a]N[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]N[6a]O){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|N<2>,1|O<1>,2|N<3>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(N[6]C[6]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>,2|N<3>}	122.9000	0.000	1	122.9000	0.000	1	122.9000	0.000	1	120.9495	7.609	2	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:1:	3:2:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:O[6a]-2:N[6]-3:	C[6,6a](C[6,6a]O[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]C[6a,6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(O[6a]C[6a,6a])(N[6]C[6]C)	C[6,6a](C[6,6a]O[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]C[6a,6a]O){2|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<3>,1|O<2>,2|H<1>,2|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(O[6a]C[6a,6a])(N[6]C[6]C){1|C<4>,1|H<1>,2|O<1>,3|C<3>}	118.9990	0.000	1	118.9990	0.000	1	118.9990	0.000	1	120.9495	7.609	2	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]CH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(CHHN)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]CH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(CHHN)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>,2|O<2>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6]){2|C<3>,2|C<4>,3|H<1>}	122.3980	0.000	1	122.3980	0.000	1	122.3980	0.000	1	120.7445	2.822	96	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-3:C[5]-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]C[5]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(C[5]C[5]2H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]C[5]H)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(C[5]C[5]2H)(H){1|H<1>,1|O<2>,3|O<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6]){1|C<4>,3|C<3>,3|H<1>}	122.2660	0.000	1	122.2660	0.000	1	122.2660	0.000	1	120.7445	2.822	96	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Cl)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5a]C[6]H)(C[6a]C[6a]H){2|Cl<1>,1|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(H){1|N<3>,2|H<1>,2|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Cl)(O[6]C[6]){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	120.9310	0.000	1	120.9310	0.000	1	120.0687	2.784	6	120.7445	2.822	96	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[6]C[6]HN)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5a]C[6]H)(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[6]C[6]HN)(H){1|C<4>,1|N<3>,1|O<2>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){2|C<3>,2|C<4>,4|H<1>}	121.1440	0.444	2	121.1440	0.197	2	120.0687	2.784	6	120.7445	2.822	96	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]2)(C[6]C[6]HN)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Br)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5a]C[6]H)(C[6a]C[6a]H){2|Br<1>,1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]2)(C[6]C[6]HN)(H){1|C<4>,1|N<2>,1|N<3>,2|C<3>,2|O<2>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Br)(O[6]C[6]){1|C<4>,2|C<3>,5|H<1>}	121.3200	0.000	1	121.3200	0.000	1	120.0687	2.784	6	120.7445	2.822	96	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]O[5a])(C[6]C[6]CH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5a]C[6]H)(C[6a]C[6a]H){1|O<2>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]O[5a])(C[6]C[6]CH)(H){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	117.9990	0.000	1	117.9990	0.000	1	120.0687	2.784	6	120.7445	2.822	96	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]S[5a])(C[6]C[6]CC)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5a]C[6a])(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5a]C[6]H)(C[6a]C[6a]H){1|O<2>,1|S<2>,2|C<4>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]S[5a])(C[6]C[6]CC)(H){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5a]C[6a])(O[6]C[6]){1|C<4>,1|O<1>,1|S<2>,3|C<3>,3|H<1>}	117.8740	0.000	1	117.8740	0.000	1	120.0687	2.784	6	120.7445	2.822	96	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5a]-3:C[6]-4:H-1:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[5a]C[6]H)(C[6a]O[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]O[5a])(C[6]C[6]HH)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6])	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[5a]C[6]H)(C[6a]O[6a]O){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]O[5a])(C[6]C[6]HH)(H){1|O<1>,2|H<1>,3|C<3>,3|O<2>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6]){1|C<4>,1|O<1>,2|O<2>,3|C<3>,3|H<1>}	121.9100	0.000	1	121.9100	0.000	1	121.9100	0.000	1	120.7445	2.822	96	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]CH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(CCHH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]CH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(CCHH)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){2|C<3>,2|C<4>,3|H<1>}	121.3210	0.000	1	121.3210	0.000	1	121.3210	0.000	1	120.7445	2.822	96	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:I[6]-2:	C[6,6a](C[6,6a]C[6a]I[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CCHH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(I[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]I[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CCHH)(H){1|I<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(I[6]C[6,6a]){2|C<4>,2|H<1>,3|C<3>}	120.4553	0.844	4	120.4553	0.712	4	120.4553	0.712	4	120.7445	2.822	96	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CH)(C[6a]C[6a]C)	C[6](C[6,6a]C[6,6a]C[6a])2(CCCH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CH)(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CCCH)(H){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,3|C<3>,3|C<4>}	120.2180	0.175	2	120.2180	0.031	2	120.2488	0.601	6	120.7445	2.822	96	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CCCH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CCCH)(H){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|C<4>,3|C<3>,3|H<1>}	121.0350	0.771	2	120.2643	0.991	4	120.2488	0.601	6	120.7445	2.822	96	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CCCH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CCCH)(H){1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|C<4>,3|C<3>,3|H<1>}	119.4935	0.059	2	120.2643	0.991	4	120.2488	0.601	6	120.7445	2.822	96	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:Si-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]SiH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(SiC[6a]HO)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]SiH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(SiC[6a]HO)(H){1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|Si<4>,3|C<3>,3|H<1>}	118.4300	0.035	2	118.4300	0.001	2	118.4300	0.001	2	120.7445	2.822	96	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[5,6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[5,6a]H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(O[6]C[6]){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	118.8970	0.000	1	117.7080	2.827	2	120.0749	2.957	44	120.7445	2.822	96	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[5,6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[5,6a]H){1|O<2>,2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(O[6]C[6]){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	116.5190	0.000	1	117.7080	2.827	2	120.0749	2.957	44	120.7445	2.822	96	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[5,6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CN)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[5,6a]H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CN)(H){1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(O[6]C[6]){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	117.7935	0.216	2	117.7935	0.047	2	120.0749	2.957	44	120.7445	2.822	96	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[5,6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[5,6a]H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<2>,4|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(O[6]C[6]){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	121.1490	0.000	1	118.7175	2.630	4	120.0749	2.957	44	120.7445	2.822	96	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[5,6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[5,6a]H){1|O<2>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<2>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(O[6]C[6]){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	117.9070	0.056	3	118.7175	2.630	4	120.0749	2.957	44	120.7445	2.822	96	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]C){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|F<1>,1|O<2>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|F<1>,3|C<3>,3|H<1>}	121.1300	0.000	1	119.9055	2.999	2	120.0749	2.957	44	120.7445	2.822	96	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]C){4|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|H<1>,1|O<1>,2|C<3>,3|C<4>}	118.6810	0.000	1	119.9055	2.999	2	120.0749	2.957	44	120.7445	2.822	96	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HN)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]C){1|N<3>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|H<1>,1|O<1>,2|C<3>,3|C<4>}	119.3790	0.000	1	119.3790	0.000	1	120.0749	2.957	44	120.7445	2.822	96	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CC)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CC)(H){1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	119.0450	0.000	1	119.0450	0.000	1	120.0749	2.957	44	120.7445	2.822	96	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CN)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CN)(H){1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	118.8740	0.000	1	118.8740	0.000	1	120.0749	2.957	44	120.7445	2.822	96	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){2|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<1>,2|H<1>,2|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6]){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	120.0510	0.000	1	120.0510	0.000	1	120.0749	2.957	44	120.7445	2.822	96	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){2|O<2>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,2|H<1>,2|O<2>,3|C<3>}	120.0770	0.000	1	119.6790	1.135	14	120.0749	2.957	44	120.7445	2.822	96	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<2>,1|S<2>,4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|S<2>,2|C<3>,4|H<1>}	121.3560	0.000	1	119.6790	1.135	14	120.0749	2.957	44	120.7445	2.822	96	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<2>,4|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,3|C<3>,4|H<1>}	120.3047	0.550	4	119.6790	1.135	14	120.0749	2.957	44	120.7445	2.822	96	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){2|H<1>,3|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	119.9870	0.000	1	119.6790	1.135	14	120.0749	2.957	44	120.7445	2.822	96	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){2|H<1>,3|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,3|C<3>,4|H<1>}	120.8340	0.000	1	119.6790	1.135	14	120.0749	2.957	44	120.7445	2.822	96	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	118.6650	0.000	1	119.6790	1.135	14	120.0749	2.957	44	120.7445	2.822	96	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){4|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	118.9660	0.000	1	119.6790	1.135	14	120.0749	2.957	44	120.7445	2.822	96	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){4|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	119.1985	0.083	2	119.6790	1.135	14	120.0749	2.957	44	120.7445	2.822	96	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){4|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<2>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,3|C<3>,3|H<1>}	118.0025	0.499	2	119.6790	1.135	14	120.0749	2.957	44	120.7445	2.822	96	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]S[6]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]S[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|S<4>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]S[6]HH)(H){1|O<2>,2|O<1>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]S[6]){1|C<4>,2|C<3>,2|O<1>,3|H<1>}	123.1557	0.764	4	123.1557	0.583	4	120.0749	2.957	44	120.7445	2.822	96	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CC)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]O){3|C<4>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CC)(H){1|C<4>,2|O<2>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6]){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	122.9460	0.000	1	122.9460	0.000	1	120.0749	2.957	44	120.7445	2.822	96	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CC)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]O){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CC)(H){1|O<1>,2|H<1>,2|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|H<1>,1|O<1>,2|C<3>,2|O<2>}	119.9210	0.000	1	119.9210	0.000	1	120.0749	2.957	44	120.7445	2.822	96	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]O){1|H<1>,2|C<4>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CH)(H){2|C<4>,2|H<1>,2|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6]){1|H<1>,2|C<3>,2|O<2>,3|C<4>}	120.5113	1.852	3	120.5113	3.432	3	120.0749	2.957	44	120.7445	2.822	96	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]O){1|C<4>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|O<1>,2|H<1>,2|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|H<1>,1|O<1>,2|C<3>,2|O<2>}	120.5895	0.049	2	121.0815	0.337	4	120.0749	2.957	44	120.7445	2.822	96	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]O){3|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|O<1>,2|H<1>,2|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|H<1>,1|O<1>,2|C<3>,2|O<2>}	121.5735	0.202	2	121.0815	0.337	4	120.0749	2.957	44	120.7445	2.822	96	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CN)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]O){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CN)(H){2|H<1>,2|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|H<1>,2|O<2>,3|C<3>}	120.9460	0.000	1	120.9460	0.000	1	120.0749	2.957	44	120.7445	2.822	96	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]O){2|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|H<1>,4|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6]){1|C<4>,2|H<1>,2|O<2>,3|C<3>}	121.7290	0.000	1	121.7290	0.000	1	120.0749	2.957	44	120.7445	2.822	96	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]O){4|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<1>,2|H<1>,2|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|H<1>,1|O<1>,2|C<3>,2|O<2>}	120.7330	0.000	1	120.7330	0.000	1	120.0749	2.957	44	120.7445	2.822	96	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6])	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|S<2>,4|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6]){1|C<4>,3|C<3>,4|H<1>}	122.2980	0.000	1	122.2980	0.000	1	122.2980	0.000	1	120.7445	2.822	96	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:N[6]-3:S[6a]-2:	C[6,6a](C[6,6a]S[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]C[6a,6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6a]C[6])(S[6a]C[6a,6a])	C[6,6a](C[6,6a]S[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]C[6a,6a]O){2|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|Cl<1>,1|H<1>,1|N<3>,1|S<2>,2|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6a]C[6])(S[6a]C[6a,6a]){1|C<4>,1|H<1>,2|O<1>,5|C<3>}	119.8620	0.000	1	119.8620	0.000	1	120.3725	0.521	2	120.7445	2.822	96	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:N[6]-3:S[6a]-2:	C[6,6a](C[6,6a]S[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]C[6a,6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HN)(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6a]C[6])(S[6a]C[6a,6a])	C[6,6a](C[6,6a]S[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]C[6a,6a]O){1|H<1>,1|N<3>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|F<1>,1|H<1>,1|N<3>,1|S<2>,2|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6a]C[6])(S[6a]C[6a,6a]){1|C<4>,1|H<1>,2|O<1>,5|C<3>}	120.8830	0.000	1	120.8830	0.000	1	120.3725	0.521	2	120.7445	2.822	96	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:N[6a]-3:O[6]-2:	C[6,6a](C[6,6a]N[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]N[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HN)(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]C)(O[6]C[6])	C[6,6a](C[6,6a]N[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]N[6a]O){1|H<1>,1|N<3>,3|C<3>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|Cl<1>,1|O<1>,1|O<2>,2|C<3>,2|N<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]C)(O[6]C[6]){1|C<3>,1|C<4>,1|N<3>,2|O<1>,3|H<1>}	123.0430	0.000	1	123.0430	0.000	1	123.0430	0.000	1	120.7445	2.822	96	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CN)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6])	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<2>,1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CN)(H){3|H<1>,3|O<2>,4|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6]){1|C<4>,2|O<2>,3|H<1>,4|C<3>}	121.4850	0.000	1	120.8735	0.748	2	122.3740	0.576	22	120.7445	2.822	96	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CN)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6])	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CN)(H){1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6]){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	120.2620	0.000	1	120.8735	0.748	2	122.3740	0.576	22	120.7445	2.822	96	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6])	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){2|O<2>,3|H<1>,5|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6]){1|C<4>,1|O<2>,3|H<1>,5|C<3>}	121.3740	0.000	1	121.9200	0.596	2	122.3740	0.576	22	120.7445	2.822	96	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6])	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){2|O<2>,4|C<3>,4|H<1>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6]){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	122.4660	0.000	1	121.9200	0.596	2	122.3740	0.576	22	120.7445	2.822	96	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]O[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6])	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]O[6a]O){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>,3|O<2>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6]){1|O<1>,2|C<4>,2|H<1>,2|O<2>,3|C<3>}	121.9917	0.563	3	122.4767	0.316	12	122.3740	0.576	22	120.7445	2.822	96	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]O[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6])	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]O[6a]O){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|O<2>,3|C<3>,3|H<1>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6]){1|O<1>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	123.1790	0.000	1	122.4767	0.316	12	122.3740	0.576	22	120.7445	2.822	96	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]O[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6])	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]O[6a]O){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,2|H<1>,3|C<3>,3|O<2>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6]){1|C<4>,1|O<1>,2|O<2>,3|C<3>,3|H<1>}	123.2840	0.000	1	122.4767	0.316	12	122.3740	0.576	22	120.7445	2.822	96	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]O[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6])	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]O[6a]O){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<1>,2|H<1>,3|O<2>,4|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6]){1|C<4>,1|O<1>,2|H<1>,2|O<2>,4|C<3>}	122.4260	0.427	6	122.4767	0.316	12	122.3740	0.576	22	120.7445	2.822	96	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]O[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6])	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]O[6a]O){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<1>,3|C<3>,3|H<1>,3|O<2>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6]){1|C<4>,1|O<1>,2|O<2>,3|C<3>,3|H<1>}	122.7260	0.000	1	122.4767	0.316	12	122.3740	0.576	22	120.7445	2.822	96	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]O[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HN)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6])	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]O[6a]O){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|Cl<1>,1|O<1>,2|O<2>,3|C<3>,3|H<1>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6]){1|C<4>,1|O<1>,1|O<2>,3|C<3>,4|H<1>}	123.2655	0.153	2	122.8203	0.209	6	122.3740	0.576	22	120.7445	2.822	96	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]O[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HN)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6])	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]O[6a]O){1|H<1>,1|N<3>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|O<1>,2|H<1>,2|O<2>,4|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6]){1|C<4>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	122.5977	0.378	4	122.8203	0.209	6	122.3740	0.576	22	120.7445	2.822	96	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[5,6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[5,6]CH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(CCHH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[5,6]CH)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(CCHH)(H){1|N<2>,1|S<2>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]){1|C<3>,1|C<4>,1|N<3>,1|S<2>,3|H<1>}	119.8880	0.000	1	119.8880	0.000	1	120.2187	0.150	3	120.7445	2.822	96	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[5,6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[5,6]CH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]C[5,6])(CCHH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[5,6]CH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]C[5,6])(CCHH)(H){1|H<1>,1|N<2>,1|S<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]){1|C<3>,1|C<4>,1|N<3>,1|S<2>,3|H<1>}	120.3840	0.369	2	120.3840	0.136	2	120.2187	0.150	3	120.7445	2.822	96	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[5a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5a]C[5a,6a]N[5a])(C[6]C[6]CN)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5a]C[6]H)(C[6a]C[6a]H){1|Br<1>,1|H<1>,1|N<2>,1|N<3>,2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5a]C[5a,6a]N[5a])(C[6]C[6]CN)(H){1|C<4>,1|N<2>,1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	120.7200	0.000	1	120.7200	0.000	1	120.7200	0.000	1	120.7445	2.822	96	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[5a,6]-3:C[6,6a]-3:C-4:H-1:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5a,6]CH)(C[6a]C[6a]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6a]C[6,6a]C[6a])(CC[6a]HN)(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[5a,6]S)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5a,6]CH)(C[6a]C[6a]H){1|S<4>,2|H<1>,3|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6a]C[6,6a]C[6a])(CC[6a]HN)(H){1|H<1>,2|N<3>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[5a,6]S)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	122.7160	0.000	1	122.7160	0.000	1	122.7160	0.000	1	120.2947	2.684	63	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[5a,6]-3:C[6,6a]-3:P-4:H-1:	N[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]C[5a,6]HP)(C[6a]C[6a]H)	C[6](C[5a,6]C[5a,6,6]C[5a])(C[6,6a]C[6,6a]C[6a])(PO3)(H)	C[6,6a](N[6,6]C[5a,6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]C[5a,6]HP)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6](C[5a,6]C[5a,6,6]C[5a])(C[6,6a]C[6,6a]C[6a])(PO3)(H){1|N<2>,2|C<3>,2|H<1>,2|N<3>}	C[6,6a](N[6,6]C[5a,6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,1|P<4>,2|C<3>,3|H<1>}	123.8610	0.348	2	123.8610	0.121	2	123.8610	0.121	2	120.2947	2.684	63	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:B[6]-3:Si-4:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]B[6]SiH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(B[6]C[6,6a]C[6a])(SiC3)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]B[6]SiH)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(B[6]C[6,6a]C[6a])(SiC3)(H){1|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|Si<4>,1|B<3>,3|C<3>,4|H<1>}	121.3220	0.000	1	121.3220	0.000	1	121.3220	0.000	1	120.2947	2.684	63	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[6]C[5,6]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5a]C[6]H)(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[6]C[5,6]HH)(H){2|H<1>,2|N<3>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]H){1|C<4>,3|H<1>,4|C<3>}	119.8650	0.000	1	119.8650	0.000	1	120.6105	1.112	2	120.2947	2.684	63	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]N[5a])(C[6]C[6a]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5a]C[6]H)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]N[5a])(C[6]C[6a]C[6]H)(H){1|C<4>,1|N<3>,3|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,3|C<3>,4|H<1>}	121.3560	0.000	1	121.3560	0.000	1	120.6105	1.112	2	120.2947	2.684	63	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5a]-3:C[6]-4:H-1:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6]C[5a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]S[5a])(C[6]C[6]HH)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6]C[5a]C[6]H)(C[6a]C[6a]H){1|S<2>,4|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]S[5a])(C[6]C[6]HH)(H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	118.8830	0.000	1	118.8830	0.000	1	118.8830	0.000	1	120.2947	2.684	63	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CC[5]CH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CC[5]CH)(H){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	120.2300	0.123	2	120.2300	0.015	2	121.1623	1.489	6	120.2947	2.684	63	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CC[6]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H){1|O<1>,2|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CC[6]HH)(H){1|H<1>,1|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|C<4>,3|C<3>,3|H<1>}	121.3690	0.000	1	121.3690	0.000	1	121.1623	1.489	6	120.2947	2.684	63	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CC[6a]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CC[6a]HH)(H){1|H<1>,1|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	122.7180	0.000	1	122.7180	0.000	1	121.1623	1.489	6	120.2947	2.684	63	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])2(CC[6]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]O){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CC[6]HH)(H){1|H<1>,1|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	119.9440	0.000	1	119.9440	0.000	1	121.1623	1.489	6	120.2947	2.684	63	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])2(CC[6a]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]O){1|O<1>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CC[6a]HH)(H){1|H<1>,1|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|C<4>,1|H<1>,2|O<2>,3|C<3>}	122.4830	0.000	1	122.4830	0.000	1	121.1623	1.489	6	120.2947	2.684	63	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:H-1:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CF3)(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H){1|H<1>,2|C<4>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CF3)(H){1|H<1>,1|O<1>,2|C<3>,3|N<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]C){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	119.2480	0.000	1	119.2480	0.000	1	119.2480	0.000	1	120.2947	2.684	63	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:H-1:	C[6,6a]-3:N[6]-3:N[6a]-3:	C[6,6a](C[6,6a]N[6a]N[6])(C[6]C[6,6a]CH)(C[6a]N[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])2(CF3)(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(N[6a]C[6a]C)	C[6,6a](C[6,6a]N[6a]N[6])(C[6]C[6,6a]CH)(C[6a]N[6a]O){1|H<1>,2|C<4>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CF3)(H){1|H<1>,1|O<1>,2|C<3>,3|N<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(N[6a]C[6a]C){1|C<4>,1|H<1>,1|N<3>,2|C<3>,2|O<1>}	120.0600	0.000	1	120.0600	0.000	1	120.0600	0.000	1	120.2947	2.684	63	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[5,6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[5,6a]H){1|O<2>,3|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CH)(H){3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[6]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	120.1690	0.000	1	120.1690	0.000	1	120.1088	3.329	21	120.2947	2.684	63	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]2){1|O<2>,4|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	118.2210	0.143	2	118.2210	0.020	2	120.1088	3.329	21	120.2947	2.684	63	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]C){1|C<4>,4|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|H<1>,1|O<2>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C){2|C<4>,2|H<1>,3|C<3>}	119.0810	0.000	1	119.0810	0.000	1	120.1088	3.329	21	120.2947	2.684	63	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]C){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,4|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){2|C<3>,3|C<4>,3|H<1>}	120.5460	0.000	1	120.5460	0.000	1	120.1088	3.329	21	120.2947	2.684	63	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]Cl)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|Cl<1>,4|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]Cl){1|C<4>,3|C<3>,3|H<1>}	119.0760	0.000	1	119.0760	0.000	1	120.1088	3.329	21	120.2947	2.684	63	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){5|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,2|C<3>,5|H<1>}	119.4820	0.000	1	120.9180	5.295	3	120.1088	3.329	21	120.2947	2.684	63	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<2>,3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	123.5720	0.000	1	120.9180	5.295	3	120.1088	3.329	21	120.2947	2.684	63	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){5|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<4>,2|C<3>,5|H<1>}	119.7000	0.000	1	120.9180	5.295	3	120.1088	3.329	21	120.2947	2.684	63	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|O<2>,4|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){4|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	118.8980	0.000	1	118.8980	0.000	1	120.1088	3.329	21	120.2947	2.684	63	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HS)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<4>,1|S<4>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HS)(H){5|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<4>,2|C<3>,5|H<1>}	123.0647	0.177	3	123.0647	0.031	3	120.1088	3.329	21	120.2947	2.684	63	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]CH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]CH)(H){1|C<4>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H){2|C<3>,2|C<4>,3|H<1>}	118.4200	0.081	2	118.4200	0.006	2	120.1088	3.329	21	120.2947	2.684	63	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|N<3>,1|O<1>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]HH)(H){1|S<4>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<4>,1|S<4>,2|C<3>,3|H<1>}	118.9510	2.048	2	119.0290	2.115	3	120.1088	3.329	21	120.2947	2.684	63	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|N<3>,1|O<1>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]HH)(H){4|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<4>,2|C<3>,4|H<1>}	119.1850	0.000	1	119.0290	2.115	3	120.1088	3.329	21	120.2947	2.684	63	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Br)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]O){1|Br<1>,1|O<2>,2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|O<2>,2|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Br)(C[6]C[6]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	119.5230	0.000	1	119.5230	0.000	1	120.1088	3.329	21	120.2947	2.684	63	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]O){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<2>,2|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<4>,1|H<1>,2|O<2>,3|C<3>}	121.2390	0.000	1	121.2390	0.000	1	120.1088	3.329	21	120.2947	2.684	63	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]N[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]N[6a]O){1|C<2>,3|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]H){1|C<4>,1|H<1>,1|O<1>,2|C<3>,2|N<3>}	121.4350	0.000	1	121.4350	0.000	1	120.1088	3.329	21	120.2947	2.684	63	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]Cl)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Cl)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]Cl){2|Cl<1>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|Cl<1>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Cl)(N[6]C[6]H){1|Cl<1>,1|C<4>,1|O<1>,2|C<3>,2|H<1>}	119.2930	0.000	1	119.2930	0.000	1	120.1992	2.056	19	120.2947	2.684	63	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	118.5860	0.000	1	118.5860	0.000	1	120.1992	2.056	19	120.2947	2.684	63	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|Br<1>,2|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|N<3>,4|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,3|C<3>,4|H<1>}	119.3530	0.000	1	119.3530	0.000	1	120.1992	2.056	19	120.2947	2.684	63	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]FF)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<4>,2|F<1>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]FF)(H){1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	119.7320	0.000	1	119.7320	0.000	1	120.1992	2.056	19	120.2947	2.684	63	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Br)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<3>,3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Br)(N[6]C[6]H){1|C<4>,3|H<1>,4|C<3>}	118.2190	0.000	1	118.2190	0.000	1	120.1992	2.056	19	120.2947	2.684	63	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<3>,4|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<4>,3|C<3>,4|H<1>}	120.5960	0.000	1	120.5960	0.000	1	120.1992	2.056	19	120.2947	2.684	63	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<3>,1|O<2>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,3|C<3>,4|H<1>}	120.6833	0.279	3	120.2685	0.515	10	120.1992	2.056	19	120.2947	2.684	63	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<3>,4|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,3|C<3>,4|H<1>}	120.6020	0.000	1	120.2685	0.515	10	120.1992	2.056	19	120.2947	2.684	63	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<4>,3|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<3>,4|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|Cl<1>,1|C<4>,2|C<3>,4|H<1>}	119.6830	0.000	1	120.2685	0.515	10	120.1992	2.056	19	120.2947	2.684	63	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<4>,3|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<3>,4|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,3|C<3>,4|H<1>}	119.5527	0.782	3	120.2685	0.515	10	120.1992	2.056	19	120.2947	2.684	63	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<3>,3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,3|H<1>,4|C<3>}	121.0450	0.000	1	120.2685	0.515	10	120.1992	2.056	19	120.2947	2.684	63	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<3>,4|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,3|C<3>,4|H<1>}	120.6470	0.000	1	120.2685	0.515	10	120.1992	2.056	19	120.2947	2.684	63	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HO)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HO)(H){1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	118.4610	0.000	1	118.4610	0.000	1	120.1992	2.056	19	120.2947	2.684	63	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HS)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]O){1|C<4>,1|O<2>,1|S<2>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HS)(H){1|N<3>,1|O<2>,4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	123.4295	0.054	2	123.4295	0.003	2	120.1992	2.056	19	120.2947	2.684	63	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H){1|Br<1>,1|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]HH)(H){1|N<3>,4|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|N<4>,2|C<3>,5|H<1>}	119.7930	0.000	1	119.7930	0.000	1	119.7930	0.000	1	120.2947	2.684	63	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[5,6]-3:C-4:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5,6]CH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]N[5,6]C[5])(CCHH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5,6]C)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5,6]CH)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]N[5,6]C[5])(CCHH)(H){1|H<1>,3|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5,6]C)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	117.3700	0.000	1	117.3700	0.000	1	117.3700	0.000	1	120.2947	2.684	63	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[5a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5a]C[5a]N[5a])(C[6]C[6a]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5a]C[6]H)(C[6a]C[6a]H){1|N<3>,4|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5a]C[5a]N[5a])(C[6]C[6a]C[6]H)(H){1|N<3>,1|O<1>,3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	119.0420	0.000	1	119.0420	0.000	1	119.0420	0.000	1	120.2947	2.684	63	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[5a]-3:C[6]-4:H-1:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6]N[5a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5a]C[5a,6a]2)(C[6]C[5a,6]HH)(H)	C[6,6a](N[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6]N[5a]C[6]H)(C[6a]C[6a]H){1|N<2>,1|O<2>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5a]C[5a,6a]2)(C[6]C[5a,6]HH)(H){1|H<1>,1|N<3>,7|C<3>}	C[6,6a](N[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	119.3960	0.000	1	119.3960	0.000	1	119.3960	0.000	1	120.2947	2.684	63	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[6,6]-3:C-4:H-1:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]N[6,6]CH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(CCHH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]N[6,6]CH)(C[6a]C[6a]H){1|H<1>,2|C<3>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(CCHH)(H){1|N<3>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,6|H<1>}	119.6885	0.365	4	119.6885	0.133	4	119.6885	0.133	4	120.2947	2.684	63	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:1:	3:3:4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[5,6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[6]HO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[5,6a]H){1|C<4>,2|O<2>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|C<4>,1|P<4>,4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[6]HO){1|C<4>,1|O<2>,1|P<4>,2|C<3>,3|H<1>}	122.9030	0.000	1	122.9030	0.000	1	121.3736	1.067	24	121.3153	1.127	34	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:1:	3:3:4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[5,6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HS)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[6]CH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[5,6a]H){1|O<2>,1|S<4>,2|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HS)(H){1|C<4>,4|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[6]CH){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	122.4650	0.000	1	122.4650	0.000	1	121.3736	1.067	24	121.3153	1.127	34	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:1:	3:3:4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[5,6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HS)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[5,6a]H){1|C<4>,1|O<2>,1|S<4>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HS)(H){1|C<4>,4|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[6]HH){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	122.4510	0.000	2	122.4510	0.000	2	121.3736	1.067	24	121.3153	1.127	34	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:1:	3:3:4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HN)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<4>,1|N<4>,3|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,4|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HN){1|C<4>,2|C<3>,5|H<1>}	121.1315	0.310	2	121.1315	0.096	2	121.3736	1.067	24	121.3153	1.127	34	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:1:	3:3:4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]N[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,6|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,4|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]N[6a]H)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	121.5570	0.000	1	121.5570	0.000	1	121.3736	1.067	24	121.3153	1.127	34	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:1:	3:3:4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HS)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|O<2>,1|S<4>,2|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HS)(H){1|C<4>,4|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	123.9200	0.000	1	123.9200	0.000	1	121.3736	1.067	24	121.3153	1.127	34	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:1:	3:3:4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HS)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]CH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|S<4>,2|C<4>,2|H<1>,2|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HS)(H){1|C<4>,4|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]CH){1|C<4>,2|C<3>,5|H<1>}	121.5090	0.000	1	121.5090	0.000	1	121.3736	1.067	24	121.3153	1.127	34	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:1:	3:3:4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]CH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]CH)(H){1|C<4>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|C<4>,3|C<3>,3|H<1>}	120.0050	0.000	1	120.3583	0.123	3	121.3736	1.067	24	121.3153	1.127	34	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:1:	3:3:4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]CH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]CH)(H){2|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH){2|C<3>,2|C<4>,3|H<1>}	120.5350	0.242	2	120.3583	0.123	3	121.3736	1.067	24	121.3153	1.127	34	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:1:	3:3:4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]O[6]CH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|O<2>,4|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]O[6]CH)(H){1|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HH){1|C<4>,2|C<3>,3|H<1>}	120.5540	0.000	1	120.5540	0.000	1	121.3736	1.067	24	121.3153	1.127	34	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:1:	3:3:4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]O[6]CH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]O[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<4>,2|O<2>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]O[6]CH)(H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]O[6]HH){1|C<4>,2|C<3>,3|H<1>}	120.0610	0.000	1	120.0610	0.000	1	121.3736	1.067	24	121.3153	1.127	34	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:1:	3:3:4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]O[6]HO)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]O[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){3|C<3>,3|O<2>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]O[6]HO)(H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]O[6]HH){1|C<4>,2|C<3>,3|H<1>}	119.9230	0.000	1	119.9975	0.011	2	121.3736	1.067	24	121.3153	1.127	34	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:1:	3:3:4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]O[6]HO)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]O[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){3|C<3>,3|O<2>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]O[6]HO)(H){1|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]O[6]HH){1|C<4>,2|C<3>,3|H<1>}	120.0720	0.000	1	119.9975	0.011	2	121.3736	1.067	24	121.3153	1.127	34	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:1:	3:3:4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]O[6]CH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]O){1|C<4>,1|O<2>,3|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]O[6]CH)(H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	121.4140	1.205	2	121.5790	0.808	3	121.3736	1.067	24	121.3153	1.127	34	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:1:	3:3:4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]O[6]CH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]O){1|C<4>,2|O<2>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]O[6]CH)(H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HH){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	121.9090	0.000	1	121.5790	0.808	3	121.3736	1.067	24	121.3153	1.127	34	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:1:	3:3:4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]O[6]HO)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]O){2|O<2>,3|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]O[6]HO)(H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	121.1330	0.000	1	121.1330	0.000	1	121.3736	1.067	24	121.3153	1.127	34	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:1:	3:3:4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]N[6a]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]N[6a]C){1|C<2>,1|C<4>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|N<2>,1|O<2>,2|H<1>,3|C<3>,3|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]HH){1|C<3>,1|H<1>,1|N<2>,1|O<2>,1|S<2>,3|C<4>}	121.4730	0.438	4	121.4730	0.191	4	121.3736	1.067	24	121.3153	1.127	34	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:1:	3:3:4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:S[6]-4:	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]CH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]N[6]OO)	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|O<1>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]CH)(H){1|S<4>,4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]N[6]OO){1|C<4>,2|C<3>,4|H<1>}	124.0830	0.000	1	124.0830	0.000	1	124.0830	0.000	1	121.3153	1.127	34	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:1:	3:3:4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H){1|C<4>,3|C<3>,6|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]HH)(H){1|C<4>,4|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<4>,2|C<3>,5|H<1>}	121.4820	0.239	2	121.4820	0.057	2	121.4820	0.057	2	121.3153	1.127	34	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:1:	3:3:4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[5]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]N[5]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5]C[5]P[5])(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]N[5]H)(C[6a]C[6a]H){1|C<4>,1|P<2>,2|C<3>,6|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5]C[5]P[5])(C[6]C[6]HH)(H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	120.9425	0.295	2	120.9425	0.087	2	120.9425	0.087	2	121.3153	1.127	34	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:1:	3:3:4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[5a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5a]C[6]H)(C[6a]C[6a]H){1|C<4>,3|C<3>,6|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(H){1|C<4>,2|N<2>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	120.8290	0.194	2	120.8290	0.038	2	120.8913	0.030	3	121.3153	1.127	34	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:1:	3:3:4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[5a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5a]C[5a]N[5a])(C[6]C[6]ClH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5a]C[6]H)(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|N<2>,2|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5a]C[5a]N[5a])(C[6]C[6]ClH)(H){1|C<4>,1|N<2>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	121.0160	0.000	1	121.0160	0.000	1	120.8913	0.030	3	121.3153	1.127	34	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:1:	3:3:4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[6,6]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]P[6,6])(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[6,6]C[6]H)(C[6a]C[6a]H){1|C<3>,1|P<3>,2|C<4>,6|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]P[6,6])(C[6]C[6]HH)(H){1|C<4>,2|O<2>,4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	119.4640	0.000	1	119.4640	0.000	1	119.4640	0.000	1	121.3153	1.127	34	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:1:	3:3:4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]N[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[6]C[6]2H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]N[6]H)(C[6a]C[6a]H){2|C<4>,3|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[6]C[6]2H)(H){1|O<1>,1|S<2>,2|C<4>,4|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	120.6850	0.000	1	120.6850	0.000	1	120.6850	0.000	1	121.3153	1.127	34	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:1:	3:4:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:H-1:	C[6,6a]-3:C[6]-4:N[6a]-2:	C[6,6a](C[6,6a]N[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CC[6a]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(N[6a]C[6a])	C[6,6a](C[6,6a]N[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CC[6a]HH)(H){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(N[6a]C[6a]){1|C<4>,3|C<3>,3|H<1>}	117.9900	0.151	3	117.9900	0.023	3	117.6342	0.521	4	117.6342	0.521	4	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:1:	3:4:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:H-1:	C[6,6a]-3:C[6]-4:N[6a]-2:	C[6,6a](C[6,6a]N[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]N)	C[6](C[6,6a]C[6,6a]C[6a])2(CC[6a]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(N[6a]C[6a])	C[6,6a](C[6,6a]N[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]N){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CC[6a]HH)(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(N[6a]C[6a]){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	116.5670	0.000	1	116.5670	0.000	1	117.6342	0.521	4	117.6342	0.521	4	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:1:	3:4:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-3:C-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]CH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(CC[6a]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]CH)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]CH)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(CC[6a]HH)(H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]CH)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	118.0272	0.356	5	118.0272	0.127	5	118.1088	0.104	10	119.0324	4.798	51	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:1:	3:4:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-3:C-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]CH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6])(CC[6a]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]CH)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]CH)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6])(CC[6a]HH)(H){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]CH)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	118.5870	0.000	1	118.1904	0.090	5	118.1088	0.104	10	119.0324	4.798	51	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:1:	3:4:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-3:C-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]CH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6])(CC[6a]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]CH)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]CH)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6])(CC[6a]HH)(H){1|H<1>,2|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]CH)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	118.0913	0.234	4	118.1904	0.090	5	118.1088	0.104	10	119.0324	4.798	51	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:1:	3:4:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6,6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CCHH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6,6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6,6a]H){1|H<1>,3|C<3>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])2(CCHH)(H){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6,6a]H){2|C<4>,2|H<1>,3|C<3>}	117.5914	0.243	12	117.5914	0.059	12	118.5522	4.429	33	119.0324	4.798	51	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:1:	3:4:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(CC[6a]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(CC[6a]HH)(H){1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	117.9305	0.699	4	117.9305	0.489	4	118.5522	4.429	33	119.0324	4.798	51	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:1:	3:4:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CCHH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CCHH)(H){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	117.6785	0.083	2	117.6785	0.007	2	118.5522	4.429	33	119.0324	4.798	51	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:1:	3:4:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CCHH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])2(CCHH)(H){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	116.4155	0.181	4	116.4155	0.033	4	118.5522	4.429	33	119.0324	4.798	51	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:1:	3:4:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CCHH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H){1|C<4>,1|H<1>,2|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CCHH)(H){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]O){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	122.3990	0.095	2	122.3747	0.006	3	118.5522	4.429	33	119.0324	4.798	51	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:1:	3:4:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CCHH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CCHH)(H){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]O){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	122.3260	0.000	1	122.3747	0.006	3	118.5522	4.429	33	119.0324	4.798	51	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:1:	3:4:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CC[6a]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])2(CC[6a]HH)(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	118.0980	0.000	1	117.9398	0.018	4	118.5522	4.429	33	119.0324	4.798	51	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:1:	3:4:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CC[6a]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])2(CC[6a]HH)(H){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	117.8870	0.098	3	117.9398	0.018	4	118.5522	4.429	33	119.0324	4.798	51	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:1:	3:4:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CN3)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CN)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CN3)(H){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CN)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	121.2230	0.000	1	121.2230	0.000	1	118.5522	4.429	33	119.0324	4.798	51	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:1:	3:4:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])2(CCHH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]O){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CCHH)(H){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H){1|C<4>,1|H<1>,2|O<2>,3|C<3>}	123.1300	0.800	2	122.7593	0.733	3	118.5522	4.429	33	119.0324	4.798	51	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:1:	3:4:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])2(CCHH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]O){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CCHH)(H){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	122.0180	0.000	1	122.7593	0.733	3	118.5522	4.429	33	119.0324	4.798	51	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:1:	3:4:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:Si-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]SiH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(SiC3)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]SiH)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(SiC3)(H){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|Si<4>,3|C<3>,3|H<1>}	122.3270	0.006	2	122.3270	0.000	2	122.3270	0.000	2	119.0324	4.798	51	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:1:	3:4:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<4>,4|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<2>,1|C<4>,4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<4>,4|C<3>,5|H<1>}	122.0875	0.556	2	122.4060	0.267	4	122.1150	0.477	6	119.0324	4.798	51	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:1:	3:4:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<4>,4|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,4|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<4>,4|C<3>,5|H<1>}	122.7245	0.292	2	122.4060	0.267	4	122.1150	0.477	6	119.0324	4.798	51	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:1:	3:4:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|N<3>,4|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]HH)(H){1|C<4>,1|S<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H){1|C<4>,1|S<4>,3|H<1>,4|C<3>}	121.5330	0.754	2	121.5330	0.568	2	122.1150	0.477	6	119.0324	4.798	51	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:1:	4:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6,6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CCHH)(H)	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[6,6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6,6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CCHH)(H){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[6,6a]H){2|C<4>,2|H<1>,5|C<3>}	115.8934	0.498	16	115.8934	0.248	16	117.2488	4.097	26	117.3460	3.390	32	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:1:	4:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CC[6a]HH)(H)	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CC[6a]HH)(H){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,3|H<1>,5|C<3>}	116.5595	0.030	2	116.5595	0.001	2	117.2488	4.097	26	117.3460	3.390	32	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:1:	4:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CF3)(H)	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])2(CF3)(H){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,4|H<1>,5|C<3>}	120.1319	0.514	8	120.1319	0.265	8	117.2488	4.097	26	117.3460	3.390	32	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:1:	4:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6]-4:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(H)	C[6,6a](C[5,6]C[6,6a]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[6,6a]C[6]H)(C[6a]C[6a]H){1|C<4>,3|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(H){1|C<4>,2|H<1>,8|C<3>}	C[6,6a](C[5,6]C[6,6a]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,3|H<1>,6|C<3>}	117.9282	0.559	4	117.9282	0.312	4	117.7675	0.274	6	117.3460	3.390	32	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:1:	4:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6]-4:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]C[6]H)(H)	C[6,6a](C[5,6]C[6,6a]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[6,6a]C[6]H)(C[6a]C[6a]H){1|C<4>,3|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]C[6]H)(H){1|C<4>,3|H<1>,7|C<3>}	C[6,6a](C[5,6]C[6,6a]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,3|H<1>,6|C<3>}	117.4460	0.354	2	117.4460	0.125	2	117.7675	0.274	6	117.3460	3.390	32	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:2:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-3:C-4:O-2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]CO)(C[6a]N[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6])(CC[6]HH)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]N[6a]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]CO)(C[6a]N[6a]H){1|N<2>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6])(CC[6]HH)(OH){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]N[6a]C){1|C<3>,1|H<1>,1|N<2>,1|O<2>,2|C<4>}	121.0400	0.000	1	121.0400	0.000	1	121.0400	0.000	1	121.7942	1.047	19	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:2:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:O-2:	C[5a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6]C[6,6a]CO)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)(OH)	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6]C[6,6a]CO)(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)(OH){2|H<1>,5|C<3>}	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]O){1|C<4>,1|N<2>,1|O<2>,2|H<1>,4|C<3>}	120.2540	0.000	1	120.2540	0.000	1	120.2540	0.000	1	121.7942	1.047	19	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:2:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:O-2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CO)(C[6a]C[6a]H)	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(CCHH)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CO)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(CCHH)(OH){1|H<1>,1|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	121.5770	0.000	1	121.5770	0.000	1	121.6002	0.471	12	121.7942	1.047	19	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:2:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:O-2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CO)(C[6a]C[6a]H)	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(CH3)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CO)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(CH3)(OH){1|H<1>,1|N<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	121.2082	0.802	4	121.6399	0.621	8	121.6002	0.471	12	121.7942	1.047	19	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:2:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:O-2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CO)(C[6a]C[6a]H)	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(CH3)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CO)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(CH3)(OH){1|H<1>,1|N<3>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	122.0715	0.557	4	121.6399	0.621	8	121.6002	0.471	12	121.7942	1.047	19	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:2:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:O-2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CO)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CCHH)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CO)(C[6a]C[6a]H){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CCHH)(OH){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]O){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	121.1465	0.163	2	121.1465	0.027	2	121.6002	0.471	12	121.7942	1.047	19	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:2:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:O-2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CO)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CO)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)(OH){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	122.2130	0.000	1	122.2130	0.000	1	121.6002	0.471	12	121.7942	1.047	19	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:2:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:O-2:	N[5,6]-3:C[6,6a]-3:N[6a]-3:	C[6,6a](C[6,6a]N[5,6]N[6a])(C[6]C[6,6a]CO)(C[6a]N[6a]O)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CF3)(OH)	C[6,6a](N[5,6]C[5,6,6a]C[5])(C[6,6a]C[6a]C[6])(N[6a]C[6a]C)	C[6,6a](C[6,6a]N[5,6]N[6a])(C[6]C[6,6a]CO)(C[6a]N[6a]O){3|C<3>,3|C<4>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CF3)(OH){1|H<1>,1|O<1>,2|C<3>,3|N<3>}	C[6,6a](N[5,6]C[5,6,6a]C[5])(C[6,6a]C[6a]C[6])(N[6a]C[6a]C){1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|H<1>,2|O<1>}	122.4070	0.000	1	122.4070	0.000	1	122.4070	0.000	1	121.7942	1.047	19	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:2:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:O-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CC)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]O)(C[6a]C[6a]H){1|H<1>,1|O<2>,2|C<4>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CC)(OH){5|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	121.4840	0.000	1	121.4840	0.000	1	121.4840	0.000	1	121.7942	1.047	19	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:2:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[5a,6]-3:C-4:O-2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5a,6]CO)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6]N[5a])(CC[6a]HH)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5a,6]CO)(C[6a]C[6a]H){1|N<2>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6]N[5a])(CC[6a]HH)(OH){1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	123.7940	0.000	1	123.7940	0.000	1	123.2343	1.791	3	121.7942	1.047	19	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:2:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[5a,6]-3:C-4:O-2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5a,6]CO)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6]N[5a])(CH3)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]N)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5a,6]CO)(C[6a]C[6a]H){2|C<3>,2|H<1>,2|N<2>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6]N[5a])(CH3)(OH){1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]N)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	121.7070	0.000	1	121.7070	0.000	1	123.2343	1.791	3	121.7942	1.047	19	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:2:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[5a,6]-3:C-4:O-2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5a,6]CO)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6]N[5a])(CH3)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5a,6]CO)(C[6a]C[6a]H){1|N<2>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6]N[5a])(CH3)(OH){1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	124.2020	0.000	1	124.2020	0.000	1	123.2343	1.791	3	121.7942	1.047	19	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:2:	3:3:4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:O-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]HH)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]O)(C[6a]C[6a]H){1|N<3>,3|C<3>,6|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]HH)(OH){2|C<4>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	120.6700	0.000	1	120.6700	0.000	1	120.6700	0.000	1	121.9375	3.213	2	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:2:	3:3:4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:O-2:	C[6,6a]-3:C[6a]-3:S[6]-4:	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6a]C[6]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]CH)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]N[6]OO)	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6a]C[6]O)(C[6a]C[6a]H){1|N<3>,2|C<4>,2|H<1>,2|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]CH)(OH){1|C<4>,1|S<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]N[6]OO){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	123.2050	0.000	1	123.2050	0.000	1	123.2050	0.000	1	121.9375	3.213	2	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:2:	3:4:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:O-2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CO)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CCHH)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CO)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CCHH)(OH){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	122.5443	0.810	4	122.5443	0.656	4	123.2398	1.273	8	123.2398	1.273	8	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:2:	3:4:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:O-2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CO)(C[6a]N[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])2(CCCH)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CO)(C[6a]N[6a]O){1|H<1>,2|C<4>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CCCH)(OH){1|C<4>,2|C<3>,2|N<2>,2|O<2>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,2|C<3>,2|O<2>}	123.9352	1.012	4	123.9352	1.024	4	123.2398	1.273	8	123.2398	1.273	8	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:2:	4:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:O-2:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CO)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CC[6a]HH)(OH)	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CO)(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CC[6a]HH)(OH){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|H<1>,2|O<2>,5|C<3>}	116.9590	0.710	2	116.9590	0.504	2	116.9590	0.504	2	116.9590	0.504	2	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:3:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:N-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CN)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CCHH)(NOO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CN)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CCHH)(NOO){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	121.6695	0.542	2	121.6695	0.294	2	121.6695	0.294	2	121.6695	0.294	2	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:3:	3:3:4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:C-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]C)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CO)(COO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Br)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]C)(C[6a]C[6a]O){1|Br<1>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CO)(COO){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Br)(C[6]C[6]HH){1|C<4>,2|H<1>,2|O<2>,3|C<3>}	124.3540	0.000	1	124.3540	0.000	1	124.3540	0.000	1	124.3540	0.000	1	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:3:	3:4:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:C-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CC3)(COO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CC3)(COO){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	122.0945	0.163	2	122.0945	0.027	2	122.8931	0.190	11	122.6188	0.607	13	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:3:	3:4:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:C-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CCHH)(COO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CCHH)(COO){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	123.1390	0.214	2	123.1390	0.046	2	122.8931	0.190	11	122.6188	0.607	13	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:3:	3:4:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:C-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CC[6a]HH)(COO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CC[6a]HH)(COO){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	123.1527	0.154	3	123.1527	0.024	3	122.8931	0.190	11	122.6188	0.607	13	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:3:	3:4:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:C-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)(COO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)(COO){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	122.9748	0.224	4	122.9748	0.050	4	122.8931	0.190	11	122.6188	0.607	13	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:3:	3:4:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:N-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CN)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)(NOO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CN)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)(NOO){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	121.1100	0.049	2	121.1100	0.002	2	121.1100	0.002	2	122.6188	0.607	13	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:4:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6]CC)(C[6a]C[6a]Cl)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(CH3)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6]CC)(C[6a]C[6a]Cl){1|H<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(CH3)2{1|Cl<1>,1|H<1>,1|N<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]){2|Cl<1>,2|C<4>,3|C<3>}	120.1665	0.750	2	120.1665	0.563	2	120.1665	0.563	2	119.7341	4.323	365	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:4:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CCHH)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CCHH)(CH3){1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,3|C<3>,3|C<4>}	122.5825	0.121	2	122.5825	0.015	2	119.5439	3.907	330	119.7341	4.323	365	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:4:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]2)(O[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|C<4>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]2)(O[6]C[6,6a]){2|C<4>,2|H<1>,5|C<3>}	122.3174	0.427	9	120.0252	4.003	30	119.5439	3.907	330	119.7341	4.323	365	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:4:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]2)(O[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]2)(O[6]C[6,6a]){2|C<4>,2|H<1>,2|N<2>,3|C<3>}	120.0910	0.000	1	120.0252	4.003	30	119.5439	3.907	330	119.7341	4.323	365	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:4:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]2)(O[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]2)(O[6]C[6,6a]){2|C<4>,2|H<1>,5|C<3>}	118.9905	1.555	20	120.0252	4.003	30	119.5439	3.907	330	119.7341	4.323	365	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:4:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]B)(O[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|B<3>,1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]B)(O[6]C[6,6a]){2|C<4>,2|H<1>,3|C<3>}	119.3220	2.028	5	119.6427	3.465	15	119.5439	3.907	330	119.7341	4.323	365	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:4:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]B)(O[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|B<4>,1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]B)(O[6]C[6,6a]){2|C<4>,2|H<1>,3|C<3>}	119.8031	1.865	10	119.6427	3.465	15	119.5439	3.907	330	119.7341	4.323	365	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:4:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Bi)(O[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|Bi<3>,1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Bi)(O[6]C[6,6a]){2|C<4>,2|H<1>,3|C<3>}	119.7330	0.004	2	119.7330	0.000	2	119.5439	3.907	330	119.7341	4.323	365	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:4:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|C<2>,1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6,6a]){2|C<4>,2|H<1>,3|C<3>}	121.7025	0.706	2	121.2780	2.086	41	119.5439	3.907	330	119.7341	4.323	365	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:4:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6,6a]){2|C<4>,2|H<1>,3|C<3>}	121.3027	1.478	6	121.2780	2.086	41	119.5439	3.907	330	119.7341	4.323	365	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:4:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|C<4>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6,6a]){2|C<4>,2|H<1>,3|C<3>}	121.4568	1.319	11	121.2780	2.086	41	119.5439	3.907	330	119.7341	4.323	365	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:4:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6,6a]){2|C<4>,2|H<1>,3|C<3>}	121.1891	1.528	16	121.2780	2.086	41	119.5439	3.907	330	119.7341	4.323	365	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:4:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){2|C<4>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6,6a]){2|C<4>,2|H<1>,3|C<3>}	121.0215	1.918	6	121.2780	2.086	41	119.5439	3.907	330	119.7341	4.323	365	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:4:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C[6])(O[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|C<4>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C[6])(O[6]C[6,6a]){2|C<4>,2|H<1>,5|C<3>}	121.8563	0.275	3	121.9433	0.081	4	119.5439	3.907	330	119.7341	4.323	365	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:4:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C[6])(O[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C[6])(O[6]C[6,6a]){2|C<4>,2|H<1>,5|C<3>}	122.2040	0.000	1	121.9433	0.081	4	119.5439	3.907	330	119.7341	4.323	365	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:4:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a]){2|C<4>,2|H<1>,3|C<3>}	122.3300	0.000	1	122.3300	0.000	1	119.5439	3.907	330	119.7341	4.323	365	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:4:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(O[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|C<4>,1|N<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(O[6]C[6,6a]){2|C<4>,2|H<1>,3|C<3>}	120.1380	0.041	2	119.9718	3.853	18	119.5439	3.907	330	119.7341	4.323	365	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:4:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(O[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(O[6]C[6,6a]){2|C<4>,2|H<1>,3|C<3>}	119.3115	2.026	12	119.9718	3.853	18	119.5439	3.907	330	119.7341	4.323	365	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:4:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(O[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(O[6]C[6,6a]){2|C<4>,2|H<1>,3|C<3>}	121.4745	0.063	2	119.9718	3.853	18	119.5439	3.907	330	119.7341	4.323	365	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:4:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(O[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(O[6]C[6,6a]){2|C<4>,2|H<1>,3|C<3>}	122.2645	0.153	2	119.9718	3.853	18	119.5439	3.907	330	119.7341	4.323	365	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:4:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N[5])(O[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N[5])(O[6]C[6,6a]){2|C<4>,2|H<1>,5|C<3>}	121.9185	0.306	2	121.9185	0.094	2	119.5439	3.907	330	119.7341	4.323	365	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:4:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N[5a])(O[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N[5a])(O[6]C[6,6a]){2|C<4>,2|H<1>,5|C<3>}	118.9270	0.000	1	118.9270	0.000	1	119.5439	3.907	330	119.7341	4.323	365	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:4:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]P)(O[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|H<1>,1|P<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]P)(O[6]C[6,6a]){2|C<4>,2|H<1>,3|C<3>}	119.1649	1.754	9	118.7959	2.916	154	119.5439	3.907	330	119.7341	4.323	365	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:4:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]P)(O[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|H<1>,1|P<4>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]P)(O[6]C[6,6a]){2|C<4>,2|H<1>,3|C<3>}	118.7730	1.708	145	118.7959	2.916	154	119.5439	3.907	330	119.7341	4.323	365	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:4:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]P[5])(O[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|H<1>,1|P<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]P[5])(O[6]C[6,6a]){2|H<1>,3|C<4>,4|C<3>}	120.6980	0.000	1	120.3405	0.256	2	119.5439	3.907	330	119.7341	4.323	365	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:4:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]P[5])(O[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|H<1>,1|P<4>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]P[5])(O[6]C[6,6a]){2|H<1>,3|C<4>,5|C<3>}	119.9830	0.000	1	120.3405	0.256	2	119.5439	3.907	330	119.7341	4.323	365	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:4:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]P[6])(O[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|H<1>,1|P<4>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]P[6])(O[6]C[6,6a]){1|Cu<4>,2|C<4>,2|H<1>,5|C<3>}	118.3135	0.837	2	118.3135	0.700	2	119.5439	3.907	330	119.7341	4.323	365	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:4:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Si)(O[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|Si<4>,1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Si)(O[6]C[6,6a]){2|C<4>,2|H<1>,3|C<3>}	118.8349	1.895	23	118.8349	3.591	23	119.5439	3.907	330	119.7341	4.323	365	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:4:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Si[4])(O[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|Si<3>,1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Si[4])(O[6]C[6,6a]){2|C<4>,2|H<1>,2|N<3>,3|C<3>}	122.4625	0.149	2	119.5560	2.867	21	119.5439	3.907	330	119.7341	4.323	365	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:4:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Si[4])(O[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|Si<4>,1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Si[4])(O[6]C[6,6a]){1|Ge<2>,2|C<4>,2|H<1>,2|N<3>,3|C<3>}	121.2900	0.414	2	119.5560	2.867	21	119.5439	3.907	330	119.7341	4.323	365	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:4:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Si[4])(O[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|Si<4>,1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Si[4])(O[6]C[6,6a]){1|Ge<3>,2|C<4>,2|H<1>,2|N<3>,3|C<3>}	118.4218	0.562	6	119.5560	2.867	21	119.5439	3.907	330	119.7341	4.323	365	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:4:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Si[4])(O[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|Si<4>,1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Si[4])(O[6]C[6,6a]){1|Ge<4>,2|C<4>,2|H<1>,2|N<3>,3|C<3>}	120.8950	0.639	2	119.5560	2.867	21	119.5439	3.907	330	119.7341	4.323	365	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:4:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Si[4])(O[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|Si<4>,1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Si[4])(O[6]C[6,6a]){1|Ni<4>,2|C<4>,2|H<1>,2|N<3>,3|C<3>}	118.0625	0.039	2	119.5560	2.867	21	119.5439	3.907	330	119.7341	4.323	365	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:4:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Si[4])(O[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|Si<4>,1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Si[4])(O[6]C[6,6a]){1|Si<3>,2|C<4>,2|H<1>,2|N<3>,3|C<3>}	119.5317	1.575	6	119.5560	2.867	21	119.5439	3.907	330	119.7341	4.323	365	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:4:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Si[4])(O[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|Si<4>,1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Si[4])(O[6]C[6,6a]){1|Si<4>,1|N<3>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	117.5340	0.000	1	119.5560	2.867	21	119.5439	3.907	330	119.7341	4.323	365	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:4:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Si[6])(O[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|Si<4>,1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Si[6])(O[6]C[6,6a]){1|Si<4>,1|N<3>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	118.4090	0.000	1	118.4090	0.000	1	119.5439	3.907	330	119.7341	4.323	365	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:4:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Sn)(O[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|Sn<2>,1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Sn)(O[6]C[6,6a]){2|C<4>,2|H<1>,3|C<3>}	120.7040	3.623	2	120.1185	6.770	8	119.5439	3.907	330	119.7341	4.323	365	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:4:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Sn)(O[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|Sn<3>,1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Sn)(O[6]C[6,6a]){2|C<4>,2|H<1>,3|C<3>}	118.8448	2.542	4	120.1185	6.770	8	119.5439	3.907	330	119.7341	4.323	365	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:4:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Sn)(O[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|Sn<4>,1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Sn)(O[6]C[6,6a]){2|C<4>,2|H<1>,3|C<3>}	122.0805	0.081	2	120.1185	6.770	8	119.5439	3.907	330	119.7341	4.323	365	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:4:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(CH3)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(CH3)2{1|H<1>,1|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a]){2|C<4>,2|H<1>,3|C<3>}	123.2000	0.228	3	123.2000	0.052	3	119.5439	3.907	330	119.7341	4.323	365	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:4:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Br)(S[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|Br<1>,1|C<4>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|S<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Br)(S[6]C[6,6a]){2|C<4>,2|H<1>,3|C<3>}	119.2565	1.067	2	119.2565	1.139	2	119.2565	1.139	2	119.7341	4.323	365	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:4:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C[6,6a](C[6a]Si[3,4]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|Si<5>,1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6a]Si[3,4]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6,6a]){1|Si<4>,1|O<2>,2|C<4>,2|H<1>,2|N<3>,3|C<3>}	118.4880	0.000	1	118.4880	0.000	1	117.4887	0.454	4	119.7341	4.323	365	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:4:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C[6,6a](C[6a]Si[4,4]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|Si<5>,1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6a]Si[4,4]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6,6a]){1|Si<4>,1|O<2>,2|C<4>,2|H<1>,2|N<3>,3|C<3>}	117.1505	0.173	2	117.1505	0.030	2	117.4887	0.454	4	119.7341	4.323	365	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:4:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C[6,6a](C[6a]Si[4,6]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|Si<4>,1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6a]Si[4,6]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6,6a]){1|Si<4>,1|N<3>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	117.1660	0.000	1	117.1660	0.000	1	117.4887	0.454	4	119.7341	4.323	365	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:4:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:C-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]C)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]C)(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|H<1>,2|C<3>,5|C<4>}	122.2840	0.000	1	121.6800	0.519	21	121.6800	0.519	21	119.7341	4.323	365	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:4:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:C-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]C)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]C)(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){2|C<3>,2|H<1>,4|C<4>}	121.7668	0.507	18	121.6800	0.519	21	121.6800	0.519	21	119.7341	4.323	365	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:4:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:C-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]C)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]C)(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){2|C<3>,2|H<1>,4|C<4>}	121.8510	0.000	1	121.6800	0.519	21	121.6800	0.519	21	119.7341	4.323	365	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:4:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:C-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]C)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]C)(C[6a]C[6a]H){4|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(CH3){1|O<1>,2|H<1>,2|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	119.3410	0.000	1	121.6800	0.519	21	121.6800	0.519	21	119.7341	4.323	365	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:4:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:C-4:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6a]C[6]C)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6])	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6a]C[6]C)(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(CH3){1|S<2>,2|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6]){2|C<3>,2|H<1>,4|C<4>}	124.6368	0.681	4	124.6368	0.464	4	124.6368	0.464	4	119.7341	4.323	365	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:4:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:C-4:	C[6a,6a]-3:C[6,6a]-3:S[6]-2:	C[6,6a](C[6,6a]C[6a,6a]S[6])(C[6]C[6a]C[6]C)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(CH3)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(S[6]C[6])	C[6,6a](C[6,6a]C[6a,6a]S[6])(C[6]C[6a]C[6]C)(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(CH3){1|S<2>,2|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(S[6]C[6]){2|H<1>,4|C<3>,4|C<4>}	125.4125	0.026	2	125.4125	0.001	2	125.4125	0.001	2	119.7341	4.323	365	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:4:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-3:C-4:C-4:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,3x6]C[5])(CH3)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,3x6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]CC)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,3x6]C[5])(CH3)2{2|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,3x6]O)(C[6a]C[6a]H){2|H<1>,3|C<3>,3|C<4>}	119.2920	0.000	1	119.2920	0.000	1	119.2920	0.000	1	120.5846	4.294	254	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:4:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5a]-3:C[6]-4:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5a]C[6]C)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5a]C[6]C)(C[6a]C[6a]O){1|C<4>,3|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(CH3){1|H<1>,1|O<2>,2|C<4>,2|N<3>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){2|C<3>,2|O<2>,4|C<4>}	121.3340	0.000	1	121.3340	0.000	1	121.3340	0.000	1	120.5846	4.294	254	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:4:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6])(CH3)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6]CC)(C[6a]C[6a]H){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6])(CH3)2{1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]C){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	118.6780	0.000	1	118.6780	0.000	1	118.6780	0.000	1	120.5846	4.294	254	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:4:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	B[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]B[6,6]C[6a])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CH3)2	C[6,6a](B[6,6]C[6,6,6a]C[6,6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]C)	C[6,6a](C[6,6a]B[6,6]C[6a])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CH3)2{1|B<3>,2|H<1>,4|C<3>}	C[6,6a](B[6,6]C[6,6,6a]C[6,6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]C){2|C<4>,2|H<1>,5|C<3>}	120.1363	1.199	3	120.1363	1.437	3	120.1363	1.437	3	120.5846	4.294	254	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:4:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CH3)2	C[6,6a](C[5,6]C[5,6,6a]N[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]P)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|H<1>,1|N<2>,1|P<3>,3|C<3>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CH3)2{2|H<1>,5|C<3>}	C[6,6a](C[5,6]C[5,6,6a]N[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]P){1|P<4>,2|C<4>,2|H<1>,3|C<3>}	124.5980	0.000	1	124.5980	0.000	1	124.5980	0.000	1	120.5846	4.294	254	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:4:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[5a,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[5a,6a]N[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C[6,6a](C[5a,6a]C[5a,6a]2)(C[6,6a]C[6a]C[6])(N[6]C[6,6a]C[6a])	C[6,6a](C[6,6a]C[5a,6a]N[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[5a,6a]C[5a,6a]2)(C[6,6a]C[6a]C[6])(N[6]C[6,6a]C[6a]){1|H<1>,1|N<3>,2|C<4>,7|C<3>}	118.2410	0.051	2	118.2410	0.003	2	118.2410	0.003	2	120.5846	4.294	254	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:4:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(N[6]C[6,6a]H){1|H<1>,1|N<3>,4|C<3>,4|C<4>}	122.5890	1.874	2	122.5890	3.511	2	122.5890	3.511	2	120.5846	4.294	254	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:4:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]C)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]C)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	118.8930	0.069	2	118.8930	0.005	2	121.1720	4.077	20	120.5846	4.294	254	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:4:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]C[6])(C[6a]C[6a]H){2|C<4>,2|H<1>,5|C<3>}	117.9870	0.349	4	117.9870	0.122	4	121.1720	4.077	20	120.5846	4.294	254	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:4:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|C<4>,2|H<1>,5|C<3>}	121.4545	0.015	2	121.4545	0.000	2	121.1720	4.077	20	120.5846	4.294	254	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:4:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]Ir)(C[6a]C[6a]P)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|Ir<4>,1|N<3>,1|P<4>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]Ir)(C[6a]C[6a]P){2|C<4>,2|H<1>,3|C<3>}	122.2550	1.090	2	122.2550	1.189	2	121.1720	4.077	20	120.5846	4.294	254	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:4:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]Ni)(C[6a]C[6a]P)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|Ni<4>,1|H<1>,1|P<4>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]Ni)(C[6a]C[6a]P){2|C<4>,2|H<1>,3|C<3>}	122.2810	0.168	4	122.2810	0.028	4	121.1720	4.077	20	120.5846	4.294	254	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:4:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	122.8605	0.257	6	122.8605	0.066	6	121.1720	4.077	20	120.5846	4.294	254	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:4:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]CC)(C[6a]C[6,6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C[6a])(C[6a]C[6,6a]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]CC)(C[6a]C[6,6a]H){2|C<4>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C[6a])(C[6a]C[6,6a]C){1|H<1>,1|N<3>,2|C<4>,5|C<3>}	117.2530	0.178	2	117.2530	0.032	2	120.0718	3.858	119	120.5846	4.294	254	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:4:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]CC)(C[6a]C[6,6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C[6a])(C[6a]C[6,6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]CC)(C[6a]C[6,6a]H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C[6a])(C[6a]C[6,6a]H){1|H<1>,1|N<3>,2|C<4>,5|C<3>}	118.5015	0.244	2	118.5015	0.060	2	120.0718	3.858	119	120.5846	4.294	254	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:4:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(CH3)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(CH3)2{1|H<1>,1|N<3>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|C<4>,2|H<1>,5|C<3>}	122.7700	0.000	1	122.7700	0.000	1	120.0718	3.858	119	120.5846	4.294	254	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:4:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]2)(CH3)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]2)(CH3)2{1|H<1>,2|N<3>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|C<4>,2|H<1>,5|C<3>}	123.3695	0.187	2	123.3695	0.035	2	120.0718	3.858	119	120.5846	4.294	254	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:4:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CCHH)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|H<1>,1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CCHH)2{1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]O)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	122.5965	0.892	2	122.5965	0.795	2	120.0718	3.858	119	120.5846	4.294	254	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:4:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|C<4>,2|H<1>,5|C<3>}	122.8710	0.120	2	119.9526	3.721	102	120.0718	3.858	119	120.5846	4.294	254	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:4:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|C<4>,2|H<1>,5|C<3>}	122.2070	0.000	1	119.9526	3.721	102	120.0718	3.858	119	120.5846	4.294	254	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:4:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){1|N<2>,2|C<4>,2|H<1>,4|C<3>}	120.2013	2.217	4	119.9526	3.721	102	120.0718	3.858	119	120.5846	4.294	254	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:4:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|C<4>,2|H<1>,5|C<3>}	119.8569	1.896	95	119.9526	3.721	102	120.0718	3.858	119	120.5846	4.294	254	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:4:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	120.6295	1.733	2	120.6202	1.447	6	120.0718	3.858	119	120.5846	4.294	254	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:4:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	120.6155	1.188	4	120.6202	1.447	6	120.0718	3.858	119	120.5846	4.294	254	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:4:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]N)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]N){2|C<4>,2|H<1>,3|C<3>}	121.7250	0.051	2	121.7250	0.003	2	120.0718	3.858	119	120.5846	4.294	254	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:4:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:O[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C[6,6a](C[6,6a]C[6a]C[6])(O[6]C[6,6a]Ir)(C[6a]C[6a]P)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|Ir<6>,1|H<1>,1|P<4>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|O<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(O[6]C[6,6a]Ir)(C[6a]C[6a]P){2|C<4>,2|H<1>,3|C<3>}	120.4068	1.394	8	120.4068	1.944	8	121.3868	4.380	71	120.5846	4.294	254	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:4:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:O[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C[6,6a](C[6,6a]C[6a]C[6])(O[6]C[6,6a]Os)(C[6a]C[6a]P)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|Os<6>,1|H<1>,1|P<4>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|O<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(O[6]C[6,6a]Os)(C[6a]C[6a]P){2|C<4>,2|H<1>,3|C<3>}	122.9779	1.449	12	122.5750	3.081	16	121.3868	4.380	71	120.5846	4.294	254	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:4:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:O[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C[6,6a](C[6,6a]C[6a]C[6])(O[6]C[6,6a]Os)(C[6a]C[6a]P)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|Os<7>,1|H<1>,1|P<4>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|O<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(O[6]C[6,6a]Os)(C[6a]C[6a]P){2|C<4>,2|H<1>,3|C<3>}	121.3663	2.260	4	122.5750	3.081	16	121.3868	4.380	71	120.5846	4.294	254	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:4:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:O[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C[6,6a](C[6,6a]C[6a]C[6])(O[6]C[6,6a]Pd)(C[6a]C[6a]P)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|Pd<4>,1|H<1>,1|P<4>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|O<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(O[6]C[6,6a]Pd)(C[6a]C[6a]P){2|C<4>,2|H<1>,3|C<3>}	122.3247	0.882	4	122.3247	0.777	4	121.3868	4.380	71	120.5846	4.294	254	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:4:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:O[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C[6,6a](C[6,6a]C[6a]C[6])(O[6]C[6,6a]Pt)(C[6a]C[6a]P)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|Pt<4>,1|H<1>,1|P<4>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|O<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(O[6]C[6,6a]Pt)(C[6a]C[6a]P){2|C<4>,2|H<1>,3|C<3>}	123.0150	0.139	2	123.0150	0.019	2	121.3868	4.380	71	120.5846	4.294	254	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:4:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:O[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C[6,6a](C[6,6a]C[6a]C[6])(O[6]C[6,6a]Rh)(C[6a]C[6a]P)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|Rh<4>,1|H<1>,1|P<4>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|O<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(O[6]C[6,6a]Rh)(C[6a]C[6a]P){2|C<4>,2|H<1>,3|C<3>}	121.7951	1.780	15	121.4572	3.264	23	121.3868	4.380	71	120.5846	4.294	254	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:4:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:O[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C[6,6a](C[6,6a]C[6a]C[6])(O[6]C[6,6a]Rh)(C[6a]C[6a]P)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|Rh<5>,1|H<1>,1|P<4>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|O<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(O[6]C[6,6a]Rh)(C[6a]C[6a]P){2|C<4>,2|H<1>,3|C<3>}	119.5245	0.523	2	121.4572	3.264	23	121.3868	4.380	71	120.5846	4.294	254	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:4:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:O[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C[6,6a](C[6,6a]C[6a]C[6])(O[6]C[6,6a]Rh)(C[6a]C[6a]P)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|Rh<6>,1|H<1>,1|P<4>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|O<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(O[6]C[6,6a]Rh)(C[6a]C[6a]P){2|C<4>,2|H<1>,3|C<3>}	121.2567	1.885	6	121.4572	3.264	23	121.3868	4.380	71	120.5846	4.294	254	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:4:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:O[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C[6,6a](C[6,6a]C[6a]C[6])(O[6]C[6,6a]Ru)(C[6a]C[6a]P)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|Ru<5>,1|C<4>,1|P<4>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|O<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(O[6]C[6,6a]Ru)(C[6a]C[6a]P){2|C<4>,2|H<1>,3|C<3>}	116.1710	0.000	1	121.3971	7.491	11	121.3868	4.380	71	120.5846	4.294	254	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:4:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:O[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C[6,6a](C[6,6a]C[6a]C[6])(O[6]C[6,6a]Ru)(C[6a]C[6a]P)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|Ru<6>,1|H<1>,1|P<4>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|O<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(O[6]C[6,6a]Ru)(C[6a]C[6a]P){2|C<4>,2|H<1>,3|C<3>}	121.9197	2.233	10	121.3971	7.491	11	121.3868	4.380	71	120.5846	4.294	254	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:4:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:O[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C[6,6a](C[6,6a]C[6a]C[6])(O[6]C[6,6a]Ru)(C[6a]C[6a]Si)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|Ru<5>,1|Si<4>,1|C<4>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|O<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(O[6]C[6,6a]Ru)(C[6a]C[6a]Si){2|C<4>,2|H<1>,3|C<3>}	118.2340	0.000	1	118.5421	0.313	7	121.3868	4.380	71	120.5846	4.294	254	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:4:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:O[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C[6,6a](C[6,6a]C[6a]C[6])(O[6]C[6,6a]Ru)(C[6a]C[6a]Si)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|Ru<5>,1|Si<4>,1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|O<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(O[6]C[6,6a]Ru)(C[6a]C[6a]Si){2|C<4>,2|H<1>,3|C<3>}	118.5935	0.594	6	118.5421	0.313	7	121.3868	4.380	71	120.5846	4.294	254	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:4:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:S[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C[6,6a](C[6,6a]C[6a]C[6])(S[6]C[6,6a]Ni)(C[6a]C[6a]B)	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|Ni<5>,1|B<4>,1|C<4>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|S<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(S[6]C[6,6a]Ni)(C[6a]C[6a]B){2|C<4>,2|H<1>,3|C<3>}	119.4570	0.000	1	119.4570	0.000	1	120.4093	1.350	14	120.5846	4.294	254	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:4:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:S[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C[6,6a](C[6,6a]C[6a]C[6])(S[6]C[6,6a]Ni)(C[6a]C[6a]P)	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|Ni<5>,1|C<4>,1|P<4>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|S<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(S[6]C[6,6a]Ni)(C[6a]C[6a]P){2|C<4>,2|H<1>,3|C<3>}	119.9130	0.000	1	119.9130	0.000	1	120.4093	1.350	14	120.5846	4.294	254	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:4:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:S[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C[6,6a](C[6,6a]C[6a]C[6])(S[6]C[6,6a]Pd)(C[6a]C[6a]B)	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|Pd<5>,1|B<4>,1|C<4>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|S<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(S[6]C[6,6a]Pd)(C[6a]C[6a]B){2|C<4>,2|H<1>,3|C<3>}	121.5370	0.000	1	121.5370	0.000	1	120.4093	1.350	14	120.5846	4.294	254	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:4:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:S[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C[6,6a](C[6,6a]C[6a]C[6])(S[6]C[6,6a]Pd)(C[6a]C[6a]P)	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|Pd<5>,1|C<4>,1|P<4>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|S<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(S[6]C[6,6a]Pd)(C[6a]C[6a]P){2|C<4>,2|H<1>,3|C<3>}	119.8590	0.000	1	119.8590	0.000	1	120.4093	1.350	14	120.5846	4.294	254	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:4:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:S[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C[6,6a](C[6,6a]C[6a]C[6])(S[6]C[6,6a]Pt)(C[6a]C[6a]B)	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|Pt<4>,1|B<3>,1|C<4>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|S<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(S[6]C[6,6a]Pt)(C[6a]C[6a]B){2|C<4>,2|H<1>,3|C<3>}	121.5440	0.045	2	121.5440	0.002	2	120.4093	1.350	14	120.5846	4.294	254	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:4:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:S[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C[6,6a](C[6,6a]C[6a]C[6])(S[6]C[6,6a]Pt)(C[6a]C[6a]P)	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|Pt<4>,1|C<4>,1|P<4>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|S<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(S[6]C[6,6a]Pt)(C[6a]C[6a]P){2|C<4>,2|H<1>,3|C<3>}	119.1135	0.296	2	119.1135	0.088	2	120.4093	1.350	14	120.5846	4.294	254	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:4:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:S[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C[6,6a](C[6,6a]C[6a]C[6])(S[6]C[6,6a]Rh)(C[6a]C[6a]B)	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|Rh<4>,1|B<3>,1|C<4>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|S<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(S[6]C[6,6a]Rh)(C[6a]C[6a]B){2|C<4>,2|H<1>,3|C<3>}	122.6610	0.000	1	122.0615	0.719	2	120.4093	1.350	14	120.5846	4.294	254	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:4:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:S[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C[6,6a](C[6,6a]C[6a]C[6])(S[6]C[6,6a]Rh)(C[6a]C[6a]B)	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|Rh<6>,1|B<4>,1|C<4>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|S<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(S[6]C[6,6a]Rh)(C[6a]C[6a]B){2|C<4>,2|H<1>,3|C<3>}	121.4620	0.000	1	122.0615	0.719	2	120.4093	1.350	14	120.5846	4.294	254	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:4:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:S[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C[6,6a](C[6,6a]C[6a]C[6])(S[6]C[6,6a]Rh)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|Rh<5>,1|C<4>,1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|S<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(S[6]C[6,6a]Rh)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	119.9020	0.000	1	119.9020	0.000	1	120.4093	1.350	14	120.5846	4.294	254	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:4:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:S[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C[6,6a](C[6,6a]C[6a]C[6])(S[6]C[6,6a]Rh)(C[6a]C[6a]P)	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|Rh<4>,1|C<4>,1|P<4>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|S<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(S[6]C[6,6a]Rh)(C[6a]C[6a]P){2|C<4>,2|H<1>,3|C<3>}	119.2900	0.000	1	119.8747	0.753	3	120.4093	1.350	14	120.5846	4.294	254	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:4:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:S[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C[6,6a](C[6,6a]C[6a]C[6])(S[6]C[6,6a]Rh)(C[6a]C[6a]P)	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|Rh<5>,1|C<4>,1|P<4>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|S<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(S[6]C[6,6a]Rh)(C[6a]C[6a]P){2|C<4>,2|H<1>,3|C<3>}	120.8720	0.000	1	119.8747	0.753	3	120.4093	1.350	14	120.5846	4.294	254	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:4:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:S[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C[6,6a](C[6,6a]C[6a]C[6])(S[6]C[6,6a]Rh)(C[6a]C[6a]P)	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|Rh<6>,1|C<4>,1|P<4>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|S<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(S[6]C[6,6a]Rh)(C[6a]C[6a]P){2|C<4>,2|H<1>,3|C<3>}	119.4620	0.000	1	119.8747	0.753	3	120.4093	1.350	14	120.5846	4.294	254	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:4:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CH3)2	C[6,6a](N[5a,6]C[5a,6,6a]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6]C[6,6a]CC)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CH3)2{1|N<3>,2|H<1>,4|C<3>}	C[6,6a](N[5a,6]C[5a,6,6a]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<2>,2|C<4>,2|H<1>,4|C<3>}	123.6900	1.404	2	123.6900	1.972	2	123.6900	1.972	2	120.5846	4.294	254	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:4:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	N[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CH3)2	C[6,6a](N[6,6]C[6,6,6a]N[6,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CH3)2{1|N<3>,2|H<1>,4|C<3>}	C[6,6a](N[6,6]C[6,6,6a]N[6,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<4>,2|H<1>,5|C<3>}	118.3645	0.301	2	118.3645	0.090	2	118.3645	0.090	2	120.5846	4.294	254	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:4:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:C-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]C)(C[6a]C[6,6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]O[6]HH)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]H)(C[6]O[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]C)(C[6a]C[6,6a]H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]O[6]HH)(CH3){3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]H)(C[6]O[6]O){1|H<1>,2|C<4>,3|C<3>}	118.2905	0.754	2	118.2905	0.569	2	118.7091	0.901	9	120.5846	4.294	254	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:4:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:C-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]C)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]C)(C[6a]C[6a]H){4|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(CH3){3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|H<1>,2|C<4>,4|C<3>}	117.6900	0.000	1	117.6900	0.000	1	118.7091	0.901	9	120.5846	4.294	254	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:4:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:C-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]C)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]C)(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(CH3){1|S<4>,4|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|O<2>,1|S<4>,2|C<3>,2|C<4>,2|H<1>}	120.0070	0.000	1	120.0070	0.000	1	118.7091	0.901	9	120.5846	4.294	254	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:4:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:C-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]C)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]CH)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]C)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]CH)(CH3){1|O<2>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	119.5610	0.000	1	119.5610	0.000	1	118.7091	0.901	9	120.5846	4.294	254	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:4:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:C-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]C)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]HH)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]S)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]C)(C[6a]C[6a]H){1|N<3>,1|S<1>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]HH)(CH3){1|C<4>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]S){2|C<3>,2|H<1>,3|C<4>}	117.4610	0.000	1	117.4610	0.000	1	118.7091	0.901	9	120.5846	4.294	254	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:4:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:C-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]C)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]HO)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]C)(C[6a]C[6a]H){1|N<3>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]HO)(CH3){1|O<2>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	119.4295	0.087	2	119.4295	0.008	2	118.7091	0.901	9	120.5846	4.294	254	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:4:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:C-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]C)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]HS)(CCHH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]C)(C[6a]C[6a]H){1|N<3>,1|O<1>,1|S<2>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]HS)(CCHH){1|C<4>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O){2|C<3>,2|H<1>,3|C<4>}	118.2230	0.000	1	118.2230	0.000	1	118.7091	0.901	9	120.5846	4.294	254	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:4:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6]C)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(CCHH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6]C)(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(CCHH){1|N<3>,1|O<2>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){2|C<4>,3|C<3>,3|H<1>}	120.1480	0.000	1	120.1480	0.000	1	121.4927	1.465	3	120.5846	4.294	254	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:4:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6]C)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6]C)(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(CH3){1|N<3>,1|O<2>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){2|C<4>,3|C<3>,3|H<1>}	122.1650	0.467	2	122.1650	0.218	2	121.4927	1.465	3	120.5846	4.294	254	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:4:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:C-4:	C[6,6a]-3:C[6a]-3:S[6]-3:	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6a]C[6]C)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6]O)	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6a]C[6]C)(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(CH3){1|S<3>,2|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6]O){2|C<3>,2|H<1>,4|C<4>}	124.3680	0.000	1	124.3680	0.000	1	124.3680	0.000	1	120.5846	4.294	254	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:4:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:Si[6]-3:C-4:C-4:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]Si[6]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(Si[6]C[5,6]C[5])(CH3)2	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]C)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]Si[6]CC)(C[6a]C[6a]H){1|H<1>,2|C<3>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(Si[6]C[5,6]C[5])(CH3)2{2|C<3>,2|C<4>,2|H<1>,2|N<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]C){1|Si<3>,1|C<3>,3|H<1>,6|C<4>}	122.5045	0.054	2	122.5045	0.003	2	122.5045	0.003	2	120.5846	4.294	254	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:4:	3:3:4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:C-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]C)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]C)(C[6a]C[6a]H){1|C<4>,3|C<3>,6|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(CH3){1|C<4>,3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){2|C<4>,2|H<1>,4|C<3>}	122.1200	0.000	1	122.1200	0.000	1	122.5800	0.179	3	122.5800	0.179	3	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:4:	3:3:4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:C-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]C)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(CHHN)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]C)(C[6a]C[6a]H){3|C<3>,3|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(CHHN){1|C<4>,4|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC){2|C<3>,2|C<4>,4|H<1>}	122.8100	0.199	2	122.8100	0.040	2	122.5800	0.179	3	122.5800	0.179	3	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:4:	3:4:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6,6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6,6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6,6a]H){2|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6,6a]H){1|H<1>,3|C<3>,3|C<4>}	118.3007	0.250	12	118.3007	0.063	12	120.6025	5.709	43	121.3581	4.936	68	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:4:	3:4:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CCHH)(CCHO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])2(CCHH)(CCHO){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	117.6040	0.383	2	117.6040	0.147	2	120.6025	5.709	43	121.3581	4.936	68	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:4:	3:4:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CC[6a]HH)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]SiH)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|Si<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])2(CC[6a]HH)2{1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]SiH)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	122.8685	0.305	2	122.8685	0.093	2	120.6025	5.709	43	121.3581	4.936	68	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:4:	3:4:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	123.7104	0.203	5	123.7104	0.041	5	120.6025	5.709	43	121.3581	4.936	68	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:4:	3:4:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CO)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CO)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	123.1285	0.521	4	123.1285	0.272	4	120.6025	5.709	43	121.3581	4.936	68	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:4:	3:4:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CO)(C[6a]N[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,2|C<3>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CO)(C[6a]N[6a]O){1|H<1>,2|C<4>,3|C<3>}	122.4475	0.784	4	122.4475	0.615	4	120.6025	5.709	43	121.3581	4.936	68	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:4:	3:4:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HH)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HH)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	119.5315	0.186	2	119.5315	0.035	2	120.6025	5.709	43	121.3581	4.936	68	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:4:	3:4:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HH)(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|O<2>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HH)(C[6a]C[6a]O){1|H<1>,3|C<3>,3|C<4>}	118.5785	0.661	2	118.5785	0.437	2	120.6025	5.709	43	121.3581	4.936	68	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:4:	3:4:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HO)(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){2|H<1>,2|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HO)(C[6a]C[6a]O){2|C<4>,2|H<1>,3|C<3>}	121.9530	2.043	4	121.9530	4.174	4	120.6025	5.709	43	121.3581	4.936	68	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:4:	3:4:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]IrH)(C[6a]C[6a]P)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|Ir<6>,1|H<1>,1|N<3>,1|P<4>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]IrH)(C[6a]C[6a]P){2|C<4>,2|H<1>,3|C<3>}	118.0635	0.814	2	118.0635	0.662	2	120.6025	5.709	43	121.3581	4.936	68	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:4:	3:4:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]NiN)(C[6a]C[6a]P)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|Ni<5>,1|H<1>,1|N<4>,1|P<4>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]NiN)(C[6a]C[6a]P){2|C<4>,2|H<1>,3|C<3>}	119.3945	0.279	2	119.3945	0.078	2	120.6025	5.709	43	121.3581	4.936	68	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:4:	3:4:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]NiO)(C[6a]C[6a]P)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|Ni<5>,1|H<1>,1|O<2>,1|P<4>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]NiO)(C[6a]C[6a]P){2|C<4>,2|H<1>,3|C<3>}	122.7745	0.053	2	122.7745	0.003	2	120.6025	5.709	43	121.3581	4.936	68	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:4:	3:4:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:S[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C[6,6a](C[6,6a]C[6a]C[6])(S[6]C[6,6a]OO)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|H<1>,1|N<3>,2|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|S<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(S[6]C[6,6a]OO)(C[6a]C[6a]H){1|H<1>,3|C<3>,3|C<4>}	122.8473	0.239	4	122.6291	0.893	21	122.6291	0.893	21	121.3581	4.936	68	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:4:	3:4:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:S[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C[6,6a](C[6,6a]C[6a]C[6])(S[6]C[6,6a]OO)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|H<1>,1|N<3>,2|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|S<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(S[6]C[6,6a]OO)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	121.7458	0.573	8	122.6291	0.893	21	122.6291	0.893	21	121.3581	4.936	68	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:4:	3:4:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:S[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C[6,6a](C[6,6a]C[6a]C[6])(S[6]C[6,6a]OO)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|H<1>,2|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|S<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(S[6]C[6,6a]OO)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	123.7637	0.378	3	122.6291	0.893	21	122.6291	0.893	21	121.3581	4.936	68	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:4:	3:4:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:S[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C[6,6a](C[6,6a]C[6a]C[6])(S[6]C[6,6a]OO)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){2|H<1>,2|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|S<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(S[6]C[6,6a]OO)(C[6a]C[6a]H){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	122.7768	0.350	5	122.6291	0.893	21	122.6291	0.893	21	121.3581	4.936	68	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:4:	3:4:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:S[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C[6,6a](C[6,6a]C[6a]C[6])(S[6]C[6,6a]OO)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){2|H<1>,2|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|S<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(S[6]C[6,6a]OO)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	124.6810	0.000	1	122.6291	0.893	21	122.6291	0.893	21	121.3581	4.936	68	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:4:	3:4:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:C-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]C)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]C)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]C)(C[6a]C[6a]H){2|C<4>,4|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(CH3){1|C<2>,1|C<4>,4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]C)(C[6a]C[6a]H){2|C<4>,4|C<3>,4|H<1>}	121.5855	0.301	2	122.8080	2.057	4	122.8080	2.057	4	121.3581	4.936	68	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:4:	3:4:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:C-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]C)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]C)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]C)(C[6a]C[6a]H){2|C<4>,4|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(CH3){1|C<4>,4|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]C)(C[6a]C[6a]H){2|C<4>,4|C<3>,4|H<1>}	124.0305	0.320	2	122.8080	2.057	4	122.8080	2.057	4	121.3581	4.936	68	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:4:4:	4:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<4>,3|H<1>,5|C<3>}	121.8750	1.006	2	121.8750	1.011	2	121.8750	1.011	2	121.8750	1.011	2	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:1:1:	3:2:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:N[6a]-2:N[6]-3:	C[6,6a](C[6,6a]N[6a]N[6])(C[6]C[6,6]HH)(C[6a]N[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(N[6]C[6]C)	C[6,6a](C[6,6a]N[6a]N[6])(C[6]C[6,6]HH)(C[6a]N[6a]O){1|H<1>,2|C<4>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)(H)2{1|N<2>,2|C<4>,2|H<1>,2|N<3>,3|O<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(N[6]C[6]C){1|C<4>,1|N<3>,1|O<1>,1|O<2>,4|H<1>}	122.1370	0.000	1	122.1370	0.000	1	121.4975	0.818	2	121.4975	0.818	2	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:1:1:	3:2:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:N[6a]-2:N[6]-3:	C[6,6a](C[6,6a]N[6a]N[6])(C[6]C[6,6]HH)(C[6a]N[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(N[6]C[6]H)	C[6,6a](C[6,6a]N[6a]N[6])(C[6]C[6,6]HH)(C[6a]N[6a]O){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)(H)2{1|N<2>,2|C<4>,2|H<1>,2|N<3>,3|O<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(N[6]C[6]H){1|C<4>,1|N<3>,1|O<1>,1|S<2>,4|H<1>}	120.8580	0.000	1	120.8580	0.000	1	121.4975	0.818	2	121.4975	0.818	2	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[3x6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[3x6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]2C[6])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[3x6]HH)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]2C[6])(H)2{1|N<2>,3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	117.7610	0.000	1	117.7610	0.000	1	117.7610	0.000	1	120.1734	2.299	58	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]HH)(C[6a]C[6a]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]HH)(C[6a]C[6a]C){1|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2{1|H<1>,1|O<2>,3|C<3>,4|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6]){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	121.1460	0.000	1	120.9340	0.090	2	121.3951	1.826	7	120.1734	2.299	58	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]HH)(C[6a]C[6a]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]HH)(C[6a]C[6a]C){1|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2{1|H<1>,2|C<3>,2|O<2>,4|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6]){1|C<3>,2|H<1>,2|O<2>,3|C<4>}	120.7220	0.000	1	120.9340	0.090	2	121.3951	1.826	7	120.1734	2.299	58	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2{1|C<4>,2|O<2>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6]){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	118.7800	0.000	1	118.7800	0.000	1	121.3951	1.826	7	120.1734	2.299	58	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]HH)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[5,6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]HH)(C[6a]C[6a]O){1|H<1>,2|C<3>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2{2|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[5,6]){1|C<3>,2|H<1>,2|O<2>,3|C<4>}	122.3380	0.462	2	122.3380	0.214	2	121.3951	1.826	7	120.1734	2.299	58	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]HH)(C[6a]O[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]HH)(C[6a]O[6a]O){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2{1|C<3>,1|C<4>,1|O<1>,3|H<1>,3|O<2>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6]){1|O<1>,2|C<4>,2|O<2>,3|H<1>}	122.5710	0.000	1	122.2210	0.245	2	121.3951	1.826	7	120.1734	2.299	58	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]HH)(C[6a]O[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]HH)(C[6a]O[6a]O){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>,3|O<2>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6]){1|O<1>,2|H<1>,2|O<2>,3|C<4>}	121.8710	0.000	1	122.2210	0.245	2	121.3951	1.826	7	120.1734	2.299	58	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[5,6]HH)(C[6a]N[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[5,6])	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[5,6]HH)(C[6a]N[6a]O){1|H<1>,2|C<4>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2{1|H<1>,1|N<3>,1|O<1>,1|O<2>,4|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[5,6]){1|C<4>,1|N<3>,1|O<1>,3|C<3>,4|H<1>}	120.8760	0.000	1	120.8760	0.000	1	121.5985	1.044	2	120.1734	2.299	58	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[5,6]HH)(C[6a]O[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[5,6])	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[5,6]HH)(C[6a]O[6a]O){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2{1|C<3>,1|C<4>,1|O<1>,3|H<1>,3|O<2>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[5,6]){1|C<4>,1|O<1>,2|C<3>,2|O<2>,4|H<1>}	122.3210	0.000	1	122.3210	0.000	1	121.5985	1.044	2	120.1734	2.299	58	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6]-3:N[6a]-2:	C[6,6a](C[6,6a]N[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]2H)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]H)(N[6a]C[6a])	C[6,6a](C[6,6a]N[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]2H)(H)2{1|N<2>,2|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]H)(N[6a]C[6a]){1|C<4>,2|C<3>,4|H<1>}	118.4810	0.000	1	118.4810	0.000	1	118.4810	0.000	1	120.1734	2.299	58	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(H)2{1|N<2>,1|O<2>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]){1|C<4>,2|C<3>,4|H<1>}	118.3640	0.000	1	118.3640	0.000	1	117.9310	0.375	2	120.1734	2.299	58	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]S[6]H)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|S<2>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]S[6]H)(H)2{1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	117.4980	0.000	1	117.4980	0.000	1	117.9310	0.375	2	120.1734	2.299	58	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]C[6]H)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]P)(O[6]C[3x6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<3>,1|P<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]C[6]H)(H)2{2|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]P)(O[6]C[3x6]){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	119.9320	0.376	2	118.8678	1.613	16	119.9414	1.974	36	120.1734	2.299	58	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]C[6]H)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]P)(O[6]C[3x6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<3>,1|P<4>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]C[6]H)(H)2{2|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]P)(O[6]C[3x6]){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	118.7158	1.285	14	118.8678	1.613	16	119.9414	1.974	36	120.1734	2.299	58	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]2H)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]2H)(H)2{1|H<1>,1|O<2>,2|C<3>,5|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<3>,3|C<4>,4|H<1>}	121.2245	0.370	2	121.2245	0.137	2	119.9414	1.974	36	120.1734	2.299	58	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2{1|C<4>,2|O<2>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<4>,2|C<3>,5|H<1>}	120.9310	0.000	1	120.4786	0.457	14	119.9414	1.974	36	120.1734	2.299	58	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2{1|C<4>,2|O<2>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	120.9090	0.000	1	120.4786	0.457	14	119.9414	1.974	36	120.1734	2.299	58	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2{1|C<4>,2|O<2>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	120.5310	0.386	2	120.4786	0.457	14	119.9414	1.974	36	120.1734	2.299	58	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2{1|C<4>,2|O<2>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<3>,2|C<4>,5|H<1>}	120.6350	0.000	1	120.4786	0.457	14	119.9414	1.974	36	120.1734	2.299	58	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2{1|N<3>,1|O<2>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	120.7317	0.444	3	120.4786	0.457	14	119.9414	1.974	36	120.1734	2.299	58	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2{1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<3>,3|C<4>,4|H<1>}	120.9100	0.000	1	120.4786	0.457	14	119.9414	1.974	36	120.1734	2.299	58	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2{2|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	119.1220	0.915	2	120.4786	0.457	14	119.9414	1.974	36	120.1734	2.299	58	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2{2|O<2>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	120.5370	0.107	2	120.4786	0.457	14	119.9414	1.974	36	120.1734	2.299	58	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2{1|H<1>,1|O<2>,3|C<3>,3|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<3>,3|C<4>,4|H<1>}	120.7400	0.000	1	120.4786	0.457	14	119.9414	1.974	36	120.1734	2.299	58	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]HH)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]C[6]C)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[3x6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]HH)(C[6a]C[6a]O){3|C<3>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]C[6]C)(H)2{1|C<4>,1|O<1>,3|C<3>,3|O<2>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[3x6]){1|C<4>,2|C<3>,2|H<1>,3|O<2>}	121.4090	0.014	2	121.4090	0.000	2	119.9414	1.974	36	120.1734	2.299	58	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]HH)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]2H)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]HH)(C[6a]C[6a]O){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]2H)(H)2{2|C<3>,2|O<2>,5|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	121.7970	0.000	1	121.7970	0.000	1	119.9414	1.974	36	120.1734	2.299	58	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]HH)(C[6a]O[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]HH)(C[6a]O[6a]O){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>,3|O<2>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|O<1>,2|H<1>,2|O<2>,3|C<4>}	122.2400	0.000	1	122.2400	0.000	1	119.9414	1.974	36	120.1734	2.299	58	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:Cl-1:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6]ClH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(Cl)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6]ClH)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(Cl)(H){1|O<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|Cl<1>,1|C<4>,2|C<3>,4|H<1>}	120.0720	0.000	1	120.0720	0.000	1	120.0720	0.000	1	120.1734	2.299	58	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[5,6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]Ga[5,6]C[5]C)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]Ga[5,6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,6]HH)(C[6a]C[6a]H){1|Ga<5>,1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]Ga[5,6]C[5]C)(H)2{1|O<3>,3|C<3>,3|H<1>,3|O<2>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]Ga[5,6]){1|C<3>,1|N<4>,1|O<3>,2|O<2>,4|H<1>}	121.1960	0.000	1	121.1960	0.000	1	119.9458	1.061	4	120.1734	2.299	58	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[5,6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]Ga[6]C[5]2)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]Ga[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,6]HH)(C[6a]C[6a]H){1|Ga<4>,1|C<3>,4|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]Ga[6]C[5]2)(H)2{1|Cl<1>,2|C<3>,2|O<2>,3|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]Ga[6]){1|Cl<1>,1|C<3>,1|N<4>,1|O<2>,4|H<1>}	120.3720	0.000	1	120.3720	0.000	1	119.9458	1.061	4	120.1734	2.299	58	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[5,6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]In[5,6]C[5]C)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]In[5,6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,6]HH)(C[6a]C[6a]H){1|In<5>,1|C<3>,4|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]In[5,6]C[5]C)(H)2{2|Cl<1>,1|C<4>,1|N<4>,1|O<2>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]In[5,6]){2|Cl<1>,1|C<3>,2|N<4>,4|H<1>}	119.2340	0.000	1	119.2340	0.000	1	119.9458	1.061	4	120.1734	2.299	58	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[5,6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]In[6]C[5]2)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]In[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,6]HH)(C[6a]C[6a]H){1|In<4>,1|C<3>,4|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]In[6]C[5]2)(H)2{1|I<1>,2|C<3>,2|O<2>,3|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]In[6]){1|C<3>,1|I<1>,1|N<4>,1|O<2>,4|H<1>}	118.9810	0.000	1	118.9810	0.000	1	119.9458	1.061	4	120.1734	2.299	58	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[6,6]C[6]C)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]B[6,6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[6,6]HH)(C[6a]C[6a]H){1|B<4>,1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[6,6]C[6]C)(H)2{2|O<2>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]B[6,6]){1|N<4>,1|O<2>,2|C<3>,4|H<1>}	121.8070	0.065	2	121.8115	0.093	4	121.8115	0.093	4	120.1734	2.299	58	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[6,6]C[6]C)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]B[6,6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[6,6]HH)(C[6a]C[6a]H){1|B<4>,1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[6,6]C[6]C)(H)2{3|C<3>,3|H<1>,3|O<2>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]B[6,6]){1|C<3>,1|N<4>,2|O<2>,4|H<1>}	121.8160	0.525	2	121.8115	0.093	4	121.8115	0.093	4	120.1734	2.299	58	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[4,6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[4,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[4,6]C[4]2N[6])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[4,6]HH)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[4,6]C[4]2N[6])(H)2{1|C<4>,3|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]C){1|C<3>,1|C<4>,4|H<1>}	116.8750	0.000	1	116.8750	0.000	1	116.8750	0.000	1	119.7335	1.469	105	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]C){1|O<1>,2|C<3>,2|C<4>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(H)2{1|O<2>,2|C<4>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]O){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	117.3380	0.000	1	117.3380	0.000	1	118.1414	0.362	5	119.7335	1.469	105	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(H)2{1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	118.1680	0.000	1	118.1680	0.000	1	118.1414	0.362	5	119.7335	1.469	105	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]C)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2{1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	119.0280	0.000	1	119.0280	0.000	1	118.1414	0.362	5	119.7335	1.469	105	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2{2|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	118.0100	0.000	1	118.0100	0.000	1	118.1414	0.362	5	119.7335	1.469	105	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5]H)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5]H)(H)2{1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<2>,1|O<2>,3|C<3>,3|H<1>}	118.1630	0.000	1	118.1630	0.000	1	118.1414	0.362	5	119.7335	1.469	105	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]2H)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]S)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|C<3>,1|S<4>,2|H<1>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]2H)(H)2{1|C<4>,1|O<2>,2|C<3>,2|N<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]S){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	117.3340	0.000	1	117.3340	0.000	1	119.1188	2.256	5	119.7335	1.469	105	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2{1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]H){1|C<3>,2|C<4>,5|H<1>}	121.0220	0.000	1	121.0220	0.000	1	119.1188	2.256	5	119.7335	1.469	105	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]C)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]S)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|C<3>,1|O<2>,1|S<4>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]C)(H)2{1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]S){1|C<4>,2|C<3>,5|H<1>}	118.4580	0.000	1	118.4580	0.000	1	119.1188	2.256	5	119.7335	1.469	105	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]S)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,1|S<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H)(H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]S){1|C<3>,2|C<4>,5|H<1>}	118.4870	0.000	1	118.4870	0.000	1	119.1188	2.256	5	119.7335	1.469	105	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N[5])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N[5])(H)2{1|O<1>,2|H<1>,2|N<3>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<4>,2|C<3>,5|H<1>}	120.2930	0.000	1	120.2930	0.000	1	119.1188	2.256	5	119.7335	1.469	105	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]O[5,6]C[5]H)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])(C[6a]C[6a]C)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]C){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]O[5,6]C[5]H)(H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])(C[6a]C[6a]C){2|C<3>,3|C<4>,4|H<1>}	119.4990	0.000	1	119.4990	0.000	1	119.7666	0.233	52	119.7335	1.469	105	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]O[5,6]C[5]H)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]C){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]O[5,6]C[5]H)(H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])(C[6a]C[6a]H){2|C<3>,3|H<1>,4|C<4>}	119.3995	0.114	2	119.3995	0.013	2	119.7666	0.233	52	119.7335	1.469	105	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]Cl)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]2)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]Cl){2|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]2)(H)2{1|Cl<1>,1|H<1>,1|O<1>,2|C<3>,2|C<4>,3|N<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H){1|Cl<1>,1|C<3>,3|C<4>,6|H<1>}	121.1900	0.000	1	121.1900	0.000	1	119.7666	0.233	52	119.7335	1.469	105	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]2)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]2)(H)2{2|C<3>,2|C<4>,2|H<1>,2|N<3>,2|O<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H){1|C<3>,3|C<4>,7|H<1>}	119.3850	0.000	1	119.3850	0.000	1	119.7666	0.233	52	119.7335	1.469	105	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]O[5,6]C[5]H)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])(C[6a]C[6a]C)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]O[5,6]C[5]H)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])(C[6a]C[6a]C){1|Cl<1>,2|C<3>,2|C<4>,4|H<1>}	120.0387	0.310	4	120.0240	0.073	5	119.7666	0.233	52	119.7335	1.469	105	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]O[5,6]C[5]H)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])(C[6a]C[6a]C)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]O[5,6]C[5]H)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])(C[6a]C[6a]C){2|C<3>,3|C<4>,4|H<1>}	119.9650	0.000	1	120.0240	0.073	5	119.7666	0.233	52	119.7335	1.469	105	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]O[5,6]C[5]H)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])(C[6a]C[6a]Cl)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H){2|Cl<1>,1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]O[5,6]C[5]H)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])(C[6a]C[6a]Cl){2|C<3>,2|C<4>,5|H<1>}	118.8520	0.000	1	118.8520	0.000	1	119.7666	0.233	52	119.7335	1.469	105	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]O[5,6]C[5]H)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]O[5,6]C[5]H)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,5|H<1>}	119.5040	0.000	1	119.7566	0.198	41	119.7666	0.233	52	119.7335	1.469	105	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]O[5,6]C[5]H)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|C<3>,1|F<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]O[5,6]C[5]H)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])(C[6a]C[6a]H){1|C<3>,3|C<4>,5|H<1>}	120.1170	0.000	1	119.7566	0.198	41	119.7666	0.233	52	119.7335	1.469	105	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]O[5,6]C[5]H)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|C<3>,1|F<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]O[5,6]C[5]H)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,5|H<1>}	119.8636	0.249	7	119.7566	0.198	41	119.7666	0.233	52	119.7335	1.469	105	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]O[5,6]C[5]H)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]O[5,6]C[5]H)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,5|H<1>}	119.8848	0.562	14	119.7566	0.198	41	119.7666	0.233	52	119.7335	1.469	105	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]O[5,6]C[5]H)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]O[5,6]C[5]H)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,5|H<1>}	119.3330	0.221	2	119.7566	0.198	41	119.7666	0.233	52	119.7335	1.469	105	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]O[5,6]C[5]H)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]O[5,6]C[5]H)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,5|H<1>}	119.5818	0.529	5	119.7566	0.198	41	119.7666	0.233	52	119.7335	1.469	105	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]O[5,6]C[5]H)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]O[5,6]C[5]H)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])(C[6a]C[6a]H){1|C<3>,3|C<4>,5|H<1>}	119.9000	0.000	1	119.7566	0.198	41	119.7666	0.233	52	119.7335	1.469	105	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]O[5,6]C[5]H)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]O[5,6]C[5]H)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,5|H<1>}	119.6492	0.353	10	119.7566	0.198	41	119.7666	0.233	52	119.7335	1.469	105	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6,6]C[5]2)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6,6]C[5]2)(H)2{2|C<3>,2|C<4>,2|H<1>,2|N<3>,2|O<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){1|C<3>,3|C<4>,7|H<1>}	120.3943	1.127	3	120.3943	1.269	3	120.3943	1.269	3	119.7335	1.469	105	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]Br)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(H)2	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[5,6]O)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]Br){1|O<1>,1|O<2>,2|C<4>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(H)2{1|Br<1>,1|O<1>,1|O<2>,5|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[5,6]O){1|Br<1>,1|C<4>,1|O<2>,3|H<1>,4|C<3>}	119.8360	0.000	1	119.8360	0.000	1	119.8360	0.000	1	119.7335	1.469	105	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6a,6a]-3:C[6,6a]-3:N[5,6]-3:	C[6,6a](C[6,6a]C[6a,6a]N[5,6])(C[6]C[5,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]O[5,6]C[5]H)(H)2	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])	C[6,6a](C[6,6a]C[6a,6a]N[5,6])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|Br<1>,1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]O[5,6]C[5]H)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5]){2|C<4>,4|C<3>,5|H<1>}	120.4060	0.236	3	120.3721	0.074	8	120.3721	0.074	8	119.7335	1.469	105	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6a,6a]-3:C[6,6a]-3:N[5,6]-3:	C[6,6a](C[6,6a]C[6a,6a]N[5,6])(C[6]C[5,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]O[5,6]C[5]H)(H)2	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5])	C[6,6a](C[6,6a]C[6a,6a]N[5,6])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]O[5,6]C[5]H)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(N[5,6]O[5,6]C[5]){2|C<4>,4|C<3>,5|H<1>}	120.3518	0.317	5	120.3721	0.074	8	120.3721	0.074	8	119.7335	1.469	105	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(H)2{1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]C[6a])(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	117.9665	0.674	4	117.9665	0.455	4	118.5484	2.034	5	119.7335	1.469	105	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2{2|C<4>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|C<3>,2|C<4>,5|H<1>}	120.8760	0.000	1	120.8760	0.000	1	118.5484	2.034	5	119.7335	1.469	105	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2N[6])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<1>,2|C<3>,2|N<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2N[6])(H)2{1|N<3>,2|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(C[6]N[6]O){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	118.5420	0.996	2	118.5420	0.991	2	119.4740	3.097	6	119.7335	1.469	105	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)(H)2{2|N<3>,2|O<1>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<3>,1|C<4>,6|H<1>}	122.6690	0.000	1	122.6690	0.000	1	119.4740	3.097	6	119.7335	1.469	105	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]2)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]2)(H)2{2|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]H){1|C<3>,1|C<4>,4|H<1>}	119.7980	0.000	1	119.7980	0.000	1	119.4740	3.097	6	119.7335	1.469	105	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]N)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2N[6])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]N){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2N[6])(H)2{2|C<4>,2|H<1>,2|N<3>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,1|C<4>,2|N<3>,3|H<1>}	117.9130	0.000	1	117.9130	0.000	1	119.4740	3.097	6	119.7335	1.469	105	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2N[6])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]O){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2N[6])(H)2{1|N<3>,1|O<2>,2|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	119.3800	0.000	1	119.3800	0.000	1	119.4740	3.097	6	119.7335	1.469	105	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6]HH)(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2{1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]C){1|C<3>,2|C<4>,5|H<1>}	117.1890	0.000	1	117.1890	0.000	1	118.4950	3.411	2	119.7335	1.469	105	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)(H)2{1|N<3>,2|C<3>,2|C<4>,7|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|C<4>,6|H<1>}	119.8010	0.000	1	119.8010	0.000	1	118.4950	3.411	2	119.7335	1.469	105	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]2)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]2)(H)2{1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H){1|C<3>,3|C<4>,7|H<1>}	119.7160	0.000	1	120.7447	1.161	3	120.7447	1.161	3	119.7335	1.469	105	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]2)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]2)(H)2{1|C<4>,1|N<3>,1|O<2>,2|H<1>,2|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H){1|Br<1>,1|C<3>,3|C<4>,6|H<1>}	121.8650	0.000	1	120.7447	1.161	3	120.7447	1.161	3	119.7335	1.469	105	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]2)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]2)(H)2{1|C<4>,1|N<3>,4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H){1|C<3>,4|C<4>,6|H<1>}	120.6530	0.000	1	120.7447	1.161	3	120.7447	1.161	3	119.7335	1.469	105	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]2)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]2)(H)2{1|C<4>,2|C<3>,2|H<1>,2|O<1>,3|N<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){1|C<3>,3|C<4>,7|H<1>}	121.5560	0.000	1	121.8690	0.196	2	121.7992	0.111	6	119.7335	1.469	105	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]2)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]2)(H)2{1|N<3>,1|O<2>,2|H<1>,2|O<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,7|H<1>}	122.1820	0.000	1	121.8690	0.196	2	121.7992	0.111	6	119.7335	1.469	105	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2{1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,7|H<1>}	121.7310	0.000	1	121.7643	0.114	4	121.7992	0.111	6	119.7335	1.469	105	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2{1|Cl<1>,1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	121.7753	0.413	3	121.7643	0.114	4	121.7992	0.111	6	119.7335	1.469	105	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:Br-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]BrH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]H)(Br)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]BrH)(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]H)(Br)(H){1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]O){1|Br<1>,1|C<3>,1|C<4>,3|H<1>}	116.5300	0.000	1	116.5300	0.000	1	116.5300	0.000	1	119.7335	1.469	105	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:Cl-1:Cl-1:	C[6,6a]-3:C[6a]-3:S[6]-3:	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6]Cl2)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HN)(Cl)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]N[6]N)	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6]Cl2)(C[6a]C[6a]H){1|C<3>,1|N<2>,2|N<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HN)(Cl)2{1|H<1>,1|S<3>,1|S<4>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]N[6]N){2|Cl<1>,1|C<3>,1|C<4>,1|S<4>,2|H<1>}	119.7330	0.000	1	119.7330	0.000	1	119.7330	0.000	1	119.7335	1.469	105	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:Cl-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]ClH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]H)(Cl)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]ClH)(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]H)(Cl)(H){1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]O){1|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	116.2420	0.000	1	116.2420	0.000	1	116.2420	0.000	1	119.7335	1.469	105	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[5,6]-4:H-1:H-1:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[5,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]B[6]C[5]2)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6a]B[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[5,6]HH)(C[6a]C[6a]H){1|B<4>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]B[6]C[5]2)(H)2{1|N<3>,2|C<3>,2|C<4>,2|F<1>,5|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6a]B[6])(C[6a]C[6a]H){1|N<4>,2|F<1>,3|C<3>,4|H<1>}	120.4260	0.000	1	120.4260	0.000	1	120.4260	0.000	1	119.7335	1.469	105	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:Si[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]Si[6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(Si[6]C[6]CC)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]Si[6]HH)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(Si[6]C[6]CC)(H)2{1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|Si<4>,4|C<3>,4|H<1>}	120.9280	0.000	1	121.2520	0.087	3	121.2520	0.087	3	119.7335	1.469	105	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:Si[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]Si[6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(Si[6]C[6]CC)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]Si[6]HH)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(Si[6]C[6]CC)(H)2{2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|Si<4>,3|C<3>,5|H<1>}	121.4140	0.126	2	121.2520	0.087	3	121.2520	0.087	3	119.7335	1.469	105	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:Si[6]-4:H-1:H-1:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6]Si[6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(Si[6]C[5a,6]CC)(H)2	C[6,6a](N[5a,6]C[5a,6a]C[5a,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6]Si[6]HH)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(Si[6]C[5a,6]CC)(H)2{1|H<1>,1|N<3>,3|C<3>}	C[6,6a](N[5a,6]C[5a,6a]C[5a,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|Si<4>,4|C<3>,4|H<1>}	120.6910	0.000	1	120.6910	0.000	1	120.6910	0.000	1	119.7335	1.469	105	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[3,6]-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6]C[3,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]O[3]H)(H)2	C[6,6a](C[6,6a]C[6,6a]O[6])(C[6,6a]C[6a]C[6])(C[6]C[3,6]HH)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6]C[3,6]HH)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]O[3]H)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]O[6])(C[6,6a]C[6a]C[6])(C[6]C[3,6]HH){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	121.5045	0.189	2	121.5045	0.036	2	121.5045	0.036	2	120.4511	4.511	17	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[3,6]-4:H-1:H-1:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6]C[3,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]N[3]H)(H)2	C[6,6a](C[6a,6a]C[6a,6a]O[6a])(C[6,6a]C[6a]C[6])(C[6]C[3,6]HH)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6]C[3,6]HH)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]N[3]H)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]O[6a])(C[6,6a]C[6a]C[6])(C[6]C[3,6]HH){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	122.6560	0.000	1	122.6560	0.000	1	121.7625	1.597	2	120.4511	4.511	17	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[3,6]-4:H-1:H-1:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6]C[3,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]O[3]H)(H)2	C[6,6a](C[6a,6a]C[6a,6a]O[6a])(C[6,6a]C[6a]C[6])(C[6]C[3,6]HH)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6]C[3,6]HH)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]O[3]H)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6a,6a]C[6a,6a]O[6a])(C[6,6a]C[6a]C[6])(C[6]C[3,6]HH){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	120.8690	0.000	1	120.8690	0.000	1	121.7625	1.597	2	120.4511	4.511	17	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2N[6])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2N[6])(H)2{1|N<3>,1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|C<4>,2|C<3>,4|H<1>}	115.8340	0.000	1	115.8340	0.000	1	115.8340	0.000	1	120.4511	4.511	17	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2N[6])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2N[6])(H)2{1|N<3>,1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|C<4>,2|C<3>,4|H<1>}	115.2940	0.000	1	115.2940	0.000	1	120.0615	5.549	8	120.4511	4.511	17	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)(H)2{1|C<4>,2|H<1>,2|N<3>,2|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,2|C<3>,5|H<1>}	122.7750	0.000	1	122.7750	0.000	1	120.0615	5.549	8	120.4511	4.511	17	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]2)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]2)(H)2{2|C<3>,3|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HH){1|C<3>,1|C<4>,4|H<1>}	119.6220	0.486	4	119.6220	0.237	4	120.0615	5.549	8	120.4511	4.511	17	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]O){1|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)(H)2{1|O<2>,3|C<3>,4|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HO){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	121.9675	0.049	2	121.9675	0.002	2	120.0615	5.549	8	120.4511	4.511	17	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]H)(H)2	C[6,6a](C[6a,6a]C[6a,6a]O[6a])(C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]H)(H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]O[6a])(C[6,6a]C[6a]C[6])(C[6]C[6,6]HH){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	121.4700	0.000	1	121.4700	0.000	1	121.4700	0.000	1	120.4511	4.511	17	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:Cl-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]ClH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]ClH)(Cl)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]ClH)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|C<4>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]ClH)(Cl)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|Cl<1>,1|C<3>,1|C<4>,1|O<2>,4|H<1>}	121.1050	0.000	1	121.4920	0.300	2	121.1130	0.581	3	120.4511	4.511	17	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:Cl-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]ClH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]ClH)(Cl)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]ClH)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|C<4>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]ClH)(Cl)(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|Cl<1>,1|C<3>,1|C<4>,5|H<1>}	121.8790	0.000	1	121.4920	0.300	2	121.1130	0.581	3	120.4511	4.511	17	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:Cl-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]ClH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a]C[6]H)(Cl)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]ClH)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a]C[6]H)(Cl)(H){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|Cl<1>,1|C<3>,1|C<4>,5|H<1>}	120.3550	0.000	1	120.3550	0.000	1	121.1130	0.581	3	120.4511	4.511	17	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:1:1:	3:4:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:O[6a]-2:	C[6,6a](C[6,6a]O[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]2H)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(O[6a]C[6a])	C[6,6a](C[6,6a]O[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]O){1|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]2H)(H)2{1|C<3>,1|O<1>,2|O<2>,5|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(O[6a]C[6a]){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	121.4520	0.000	1	121.4520	0.000	1	121.4520	0.000	1	121.4520	0.000	1	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:1:1:	3:4:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[3,6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[3,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]C[3]H)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[3,6]HH)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[3,6]HH)(C[6a]C[6a]H){1|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]C[3]H)(H)2{2|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[3,6]HH)(C[6a]C[6a]H){1|C<3>,2|C<4>,5|H<1>}	123.0140	0.622	2	123.0140	0.387	2	123.0140	0.387	2	120.6712	3.563	79	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:1:1:	3:4:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]F)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]F){1|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2{1|F<1>,2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|C<3>,1|F<1>,2|C<4>,4|H<1>}	123.2830	0.000	1	123.2830	0.000	1	120.2868	5.249	33	120.6712	3.563	79	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:1:1:	3:4:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(H)2{1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	122.4490	0.000	1	118.8923	9.518	3	120.2868	5.249	33	120.6712	3.563	79	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:1:1:	3:4:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(H)2{1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|C<4>,1|O<2>,4|H<1>}	117.1140	0.247	2	118.8923	9.518	3	120.2868	5.249	33	120.6712	3.563	79	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:1:1:	3:4:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]CC)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2{1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]CC)(C[6a]C[6a]H){1|C<4>,2|C<3>,5|H<1>}	118.9560	0.000	1	118.6865	0.145	2	120.2868	5.249	33	120.6712	3.563	79	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:1:1:	3:4:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]CC)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]H){2|H<1>,3|C<3>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2{1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]CC)(C[6a]C[6a]H){1|C<4>,2|C<3>,5|H<1>}	118.4170	0.000	1	118.6865	0.145	2	120.2868	5.249	33	120.6712	3.563	79	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:1:1:	3:4:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]CH)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2{1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]CH)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	118.3050	0.684	2	118.3050	0.469	2	120.2868	5.249	33	120.6712	3.563	79	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:1:1:	3:4:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]F)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|C<3>,1|F<1>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2{1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]F){1|C<3>,2|C<4>,5|H<1>}	121.0990	0.000	1	121.0990	0.000	1	120.2868	5.249	33	120.6712	3.563	79	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:1:1:	3:4:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2{1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|C<4>,2|C<3>,5|H<1>}	117.7830	0.000	1	119.8830	6.157	4	120.2868	5.249	33	120.6712	3.563	79	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:1:1:	3:4:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2{1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	122.0520	0.000	1	119.8830	6.157	4	120.2868	5.249	33	120.6712	3.563	79	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:1:1:	3:4:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2{1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	122.0110	0.000	1	119.8830	6.157	4	120.2868	5.249	33	120.6712	3.563	79	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:1:1:	3:4:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|C<4>,2|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2{1|N<3>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|C<3>,2|C<4>,5|H<1>}	117.6860	0.000	1	119.8830	6.157	4	120.2868	5.249	33	120.6712	3.563	79	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:1:1:	3:4:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5]H)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5]H)(H)2{1|S<4>,2|C<3>,2|H<1>,3|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|C<3>,2|C<4>,5|H<1>}	122.0810	0.000	1	122.0810	0.000	1	120.2868	5.249	33	120.6712	3.563	79	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:1:1:	3:4:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5]H)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5]H)(H)2{1|S<4>,2|C<3>,2|H<1>,3|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]O){1|C<3>,2|C<4>,5|H<1>}	122.2280	0.000	1	122.2280	0.000	1	120.2868	5.249	33	120.6712	3.563	79	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:1:1:	3:4:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]CC)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H)(H)2{2|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]CC)(C[6a]C[6a]H){1|C<3>,2|C<4>,5|H<1>}	122.9700	0.000	1	122.9700	0.000	1	120.2868	5.249	33	120.6712	3.563	79	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:1:1:	3:4:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H)(H)2{1|H<1>,3|C<3>,3|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	122.1100	0.000	1	119.1995	11.104	4	120.2868	5.249	33	120.6712	3.563	79	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:1:1:	3:4:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H)(H)2{2|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|C<3>,2|C<4>,5|H<1>}	122.0530	0.000	1	119.1995	11.104	4	120.2868	5.249	33	120.6712	3.563	79	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:1:1:	3:4:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H)(H)2{1|H<1>,2|C<3>,4|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	116.3175	0.295	2	119.1995	11.104	4	120.2868	5.249	33	120.6712	3.563	79	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:1:1:	3:4:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]C)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5,6]HH)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]C)(H)2{1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5,6]HH)(C[6a]C[6a]H){1|C<4>,2|C<3>,4|H<1>}	120.2135	0.640	4	119.2828	4.639	5	120.2868	5.249	33	120.6712	3.563	79	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:1:1:	3:4:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]C)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5,6]HH)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]C)(H)2{2|H<1>,3|C<3>,3|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5,6]HH)(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	115.5600	0.000	1	119.2828	4.639	5	120.2868	5.249	33	120.6712	3.563	79	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:1:1:	3:4:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]H)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5,6]HH)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]H)(H)2{2|H<1>,3|C<3>,3|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5,6]HH)(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	120.7010	0.386	3	120.7010	0.149	3	120.2868	5.249	33	120.6712	3.563	79	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:1:1:	3:4:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HO)(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]O){1|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(H)2{1|O<2>,2|H<1>,3|C<3>,3|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HO)(C[6a]C[6a]O){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	122.2260	0.212	3	122.2260	0.045	3	120.2868	5.249	33	120.6712	3.563	79	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:1:1:	3:4:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]O){1|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2{1|N<3>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	122.6680	0.000	1	122.6680	0.000	1	120.2868	5.249	33	120.6712	3.563	79	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:1:1:	3:4:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HO)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]O){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2{1|O<2>,2|H<1>,3|C<3>,3|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HO)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	122.9490	0.000	1	122.9490	0.000	1	120.2868	5.249	33	120.6712	3.563	79	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:1:1:	3:4:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6,6a]-3:S[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[5,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]H)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(S[6]N[5,6]OO)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,2|H<1>,2|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]H)(H)2{1|S<4>,2|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(S[6]N[5,6]OO)(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	121.8177	2.245	3	121.0722	5.582	4	121.0722	5.582	4	120.6712	3.563	79	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:1:1:	3:4:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6,6a]-3:S[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[5,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]H)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(S[6]N[5,6]OO)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,2|H<1>,2|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]H)(H)2{1|S<4>,2|C<3>,2|H<1>,3|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(S[6]N[5,6]OO)(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	118.8360	0.000	1	121.0722	5.582	4	121.0722	5.582	4	120.6712	3.563	79	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:1:1:	3:4:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]C)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6,6]C[6,6]2H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]C)(H)2{1|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6,6]C[6,6]2H)(C[6a]C[6a]H){1|C<4>,3|C<3>,6|H<1>}	120.9050	0.000	1	120.9050	0.000	1	120.9050	0.000	1	120.6712	3.563	79	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:1:1:	3:4:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(H)2{1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<3>,2|C<4>,5|H<1>}	121.5345	0.643	2	121.5618	0.223	6	120.7004	2.011	35	120.6712	3.563	79	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:1:1:	3:4:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(H)2{2|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	121.5755	0.482	4	121.5618	0.223	6	120.7004	2.011	35	120.6712	3.563	79	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:1:1:	3:4:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HO)(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<3>,1|H<1>,3|C<4>,3|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(H)2{3|C<3>,3|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HO)(C[6a]C[6a]O){2|C<3>,2|C<4>,4|H<1>}	120.9510	0.000	1	120.9510	0.000	1	120.7004	2.011	35	120.6712	3.563	79	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:1:1:	3:4:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]CC)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<3>,1|F<1>,2|H<1>,4|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2{1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]CC)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	121.6360	0.000	1	121.1950	0.637	3	120.7004	2.011	35	120.6712	3.563	79	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:1:1:	3:4:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]CC)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2{1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]CC)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	120.2740	0.000	1	121.1950	0.637	3	120.7004	2.011	35	120.6712	3.563	79	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:1:1:	3:4:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]CC)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<3>,3|H<1>,4|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2{1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]CC)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	121.6750	0.000	1	121.1950	0.637	3	120.7004	2.011	35	120.6712	3.563	79	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:1:1:	3:4:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]CH)(C[6a]C[6a]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<3>,3|H<1>,4|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2{1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]CH)(C[6a]C[6a]C){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	121.0150	0.000	1	121.0150	0.000	1	120.7004	2.011	35	120.6712	3.563	79	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:1:1:	3:4:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]CH)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2{2|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]CH)(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	121.7870	0.000	1	121.7870	0.000	1	120.7004	2.011	35	120.6712	3.563	79	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:1:1:	3:4:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2{2|C<3>,3|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<3>,2|C<4>,5|H<1>}	119.3925	1.708	4	119.8887	3.438	11	120.7004	2.011	35	120.6712	3.563	79	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:1:1:	3:4:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2{2|C<3>,3|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	119.5733	2.602	4	119.8887	3.438	11	120.7004	2.011	35	120.6712	3.563	79	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:1:1:	3:4:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2{2|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	120.4470	0.000	1	119.8887	3.438	11	120.7004	2.011	35	120.6712	3.563	79	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:1:1:	3:4:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2{3|C<3>,3|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	121.2330	0.041	2	119.8887	3.438	11	120.7004	2.011	35	120.6712	3.563	79	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:1:1:	3:4:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]Ru)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|Ru<9>,1|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]Ru)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|Ru<9>,1|C<3>,2|C<4>,4|H<1>}	119.2827	0.763	3	119.2827	0.581	3	120.7004	2.011	35	120.6712	3.563	79	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:1:1:	3:4:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]S[6]H)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]CC)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<3>,1|S<2>,3|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]S[6]H)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]CC)(C[6a]C[6a]H){1|C<3>,2|C<4>,5|H<1>}	119.7790	0.000	1	119.7790	0.000	1	120.7004	2.011	35	120.6712	3.563	79	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:1:1:	3:4:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6]H)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[6,6]HH)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6]H)(H)2{1|N<3>,2|C<3>,2|H<1>,3|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[6,6]HH)(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	119.8050	0.000	1	120.0155	0.089	2	120.7004	2.011	35	120.6712	3.563	79	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:1:1:	3:4:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6]H)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[6,6]HH)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|N<3>,2|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6]H)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[6,6]HH)(C[6a]C[6a]H){1|C<4>,2|C<3>,4|H<1>}	120.2260	0.000	1	120.0155	0.089	2	120.7004	2.011	35	120.6712	3.563	79	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:1:1:	3:4:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HO)(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]O){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2{1|O<2>,2|H<1>,3|C<3>,3|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HO)(C[6a]C[6a]O){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	121.8953	0.200	6	121.8953	0.040	6	120.7004	2.011	35	120.6712	3.563	79	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:1:1:	3:4:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[6,6]HH)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6]H)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[6,6]HH)(C[6a]C[6a]O){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6]H)(H)2{1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|N<4>,1|O<2>,2|C<3>,4|H<1>}	121.9570	0.628	4	121.9570	0.394	4	121.9570	0.394	4	120.6712	3.563	79	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2	C[6,6a](C[3,6]C[5,6]C[3]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|C<3>,3|H<1>,4|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2{1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[6,6a](C[3,6]C[5,6]C[3]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,9|H<1>}	122.0330	0.000	1	122.0330	0.000	1	122.0330	0.000	1	121.5989	2.317	71	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]O[5,6]C[5]H)(H)2	C[6,6a](C[5,6]O[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]C){1|C<3>,2|C<4>,2|H<1>,3|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]O[5,6]C[5]H)(H)2{1|H<1>,3|C<3>,3|C<4>}	C[6,6a](C[5,6]O[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	118.7050	0.000	1	118.7050	0.000	1	120.3269	0.669	18	121.5989	2.317	71	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2{1|Cl<1>,1|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	120.9640	0.000	1	120.9440	0.006	8	120.3269	0.669	18	121.5989	2.317	71	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2{1|Cl<1>,2|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|O<1>,3|C<4>,5|H<1>}	120.8820	0.000	1	120.9440	0.006	8	120.3269	0.669	18	121.5989	2.317	71	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2{2|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<4>,4|C<3>,4|H<1>}	120.9510	0.084	6	120.9440	0.006	8	120.3269	0.669	18	121.5989	2.317	71	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5]H)(H)2	C[6,6a](C[5,6]C[5,6]C[5]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5]H)(H)2{1|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[5,6]C[5,6]C[5]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,5|H<1>}	121.6340	0.000	1	121.6340	0.000	1	120.3269	0.669	18	121.5989	2.317	71	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N[5])(H)2	C[6,6a](C[5,6]C[5]C[6]N[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>,2|N<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N[5])(H)2{1|C<4>,1|N<2>,1|O<1>,2|H<1>,5|C<3>}	C[6,6a](C[5,6]C[5]C[6]N[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<2>,1|O<1>,4|C<3>,5|H<1>}	120.3370	0.000	1	120.3370	0.000	1	120.3269	0.669	18	121.5989	2.317	71	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]O[5,6]C[5]H)(H)2	C[6,6a](C[5,6]O[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]O[5,6]C[5]H)(H)2{1|H<1>,3|C<3>,3|C<4>}	C[6,6a](C[5,6]O[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,2|C<4>,6|H<1>}	119.1440	0.000	1	119.1440	0.000	1	120.3269	0.669	18	121.5989	2.317	71	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]O[5,6]C[5]H)(H)2	C[6,6a](C[5,6]O[5,6]C[6a]O[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]O){1|C<4>,2|C<3>,2|H<1>,3|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]O[5,6]C[5]H)(H)2{1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[6,6a](C[5,6]O[5,6]C[6a]O[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	119.4460	0.491	2	119.4460	0.241	2	120.3269	0.669	18	121.5989	2.317	71	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]O[5,6]C[5]H)(H)2	C[6,6a](C[5,6]O[5,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]O){1|C<4>,2|C<3>,2|H<1>,3|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]O[5,6]C[5]H)(H)2{1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[6,6a](C[5,6]O[5,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]2){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	119.9050	0.115	4	119.9050	0.013	4	120.3269	0.669	18	121.5989	2.317	71	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2{1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<2>,1|C<4>,4|C<3>,4|H<1>}	122.9310	0.000	1	122.9310	0.000	1	120.8725	8.475	2	121.5989	2.317	71	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5]H)(H)2	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5]H)(H)2{1|S<4>,2|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<4>,3|C<3>,5|H<1>}	118.8140	0.000	1	118.8140	0.000	1	120.8725	8.475	2	121.5989	2.317	71	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:Br-1:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]BrH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]N[6]H)(Br)(H)	C[6,6a](C[6,6]C[6,6]N[6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]BrH)(C[6a]C[6a]H){2|C<3>,2|N<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]N[6]H)(Br)(H){1|H<1>,2|C<4>,4|C<3>}	C[6,6a](C[6,6]C[6,6]N[6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|Br<1>,2|C<4>,3|C<3>,3|H<1>}	119.9540	0.000	1	119.9540	0.000	1	119.9540	0.000	1	121.5989	2.317	71	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[3x6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]2)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]N[6]H)(H)2	C[6,6a](C[3x6]C[3x6]C[6]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[3x6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]2){1|N<3>,1|O<2>,2|H<1>,3|C<3>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]N[6]H)(H)2{1|H<1>,3|C<4>,4|C<3>}	C[6,6a](C[3x6]C[3x6]C[6]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|O<2>,2|C<4>,4|C<3>,7|H<1>}	121.9825	0.464	4	121.9825	0.215	4	122.3964	0.316	16	121.5989	2.317	71	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[3x6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]N[6]H)(H)2	C[6,6a](C[3x6]C[3x6]C[6]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[3x6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<3>,1|N<3>,3|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]N[6]H)(H)2{2|C<3>,2|H<1>,4|C<4>}	C[6,6a](C[3x6]C[3x6]C[6]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|O<2>,4|C<4>,8|H<1>}	122.2730	0.000	1	122.8587	0.432	3	122.3964	0.316	16	121.5989	2.317	71	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[3x6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]N[6]H)(H)2	C[6,6a](C[3x6]C[3x6]C[6]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[3x6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<3>,1|N<4>,3|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]N[6]H)(H)2{2|C<3>,3|H<1>,4|C<4>}	C[6,6a](C[3x6]C[3x6]C[6]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|O<2>,4|C<4>,8|H<1>}	123.1515	0.592	2	122.8587	0.432	3	122.3964	0.316	16	121.5989	2.317	71	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[3x6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]N[6]H)(H)2	C[6,6a](C[3x6]C[3x6]C[6]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[3x6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]N[6]H)(H)2{1|H<1>,1|O<2>,2|C<3>,4|C<4>}	C[6,6a](C[3x6]C[3x6]C[6]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|C<3>,2|O<2>,4|C<4>,7|H<1>}	122.2610	0.000	1	122.4263	0.237	9	122.3964	0.316	16	121.5989	2.317	71	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[3x6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]N[6]H)(H)2	C[6,6a](C[3x6]C[3x6]C[6]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[3x6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]N[6]H)(H)2{1|H<1>,1|O<2>,2|C<3>,4|C<4>}	C[6,6a](C[3x6]C[3x6]C[6]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){2|C<3>,2|O<2>,3|C<4>,7|H<1>}	123.2340	0.000	1	122.4263	0.237	9	122.3964	0.316	16	121.5989	2.317	71	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[3x6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]N[6]H)(H)2	C[6,6a](C[3x6]C[3x6]C[6]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[3x6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]N[6]H)(H)2{2|H<1>,3|C<3>,3|C<4>}	C[6,6a](C[3x6]C[3x6]C[6]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|O<2>,2|C<3>,3|C<4>,8|H<1>}	121.5760	0.000	1	122.4263	0.237	9	122.3964	0.316	16	121.5989	2.317	71	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[3x6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]N[6]H)(H)2	C[6,6a](C[3x6]C[3x6]C[6]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[3x6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]N[6]H)(H)2{2|H<1>,3|C<3>,3|C<4>}	C[6,6a](C[3x6]C[3x6]C[6]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|O<2>,2|C<4>,3|C<3>,8|H<1>}	122.4983	0.423	3	122.4263	0.237	9	122.3964	0.316	16	121.5989	2.317	71	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[3x6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]N[6]H)(H)2	C[6,6a](C[3x6]C[3x6]C[6]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[3x6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<3>,1|N<4>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]N[6]H)(H)2{1|N<3>,2|H<1>,3|C<3>,3|C<4>}	C[6,6a](C[3x6]C[3x6]C[6]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|O<2>,2|C<4>,3|C<3>,8|H<1>}	122.1950	0.000	1	122.4263	0.237	9	122.3964	0.316	16	121.5989	2.317	71	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[3x6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]N[6]H)(H)2	C[6,6a](C[3x6]C[3x6]C[6]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[3x6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]N[6]H)(H)2{1|H<1>,3|C<3>,3|C<4>}	C[6,6a](C[3x6]C[3x6]C[6]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|O<2>,2|C<4>,3|C<3>,6|H<1>}	122.6880	0.000	1	122.4263	0.237	9	122.3964	0.316	16	121.5989	2.317	71	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[3x6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]N[6]H)(H)2	C[6,6a](C[3x6]C[3x6]C[6]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[3x6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|N<4>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]N[6]H)(H)2{2|C<3>,3|H<1>,4|C<4>}	C[6,6a](C[3x6]C[3x6]C[6]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|O<2>,2|C<3>,3|C<4>,7|H<1>}	122.3880	0.000	1	122.4263	0.237	9	122.3964	0.316	16	121.5989	2.317	71	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(H)2	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|H<1>,2|C<4>,2|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(H)2{1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	120.6910	0.000	1	120.6910	0.000	1	121.4313	0.798	24	121.5989	2.317	71	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6]H)(H)2	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<3>,1|N<4>,3|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6]H)(H)2{2|C<3>,3|H<1>,4|C<4>}	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	122.7110	0.000	1	122.7110	0.000	1	121.4313	0.798	24	121.5989	2.317	71	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6]H)(H)2	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<3>,2|O<2>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6]H)(H)2{1|C<4>,1|S<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|C<4>,2|C<3>,8|H<1>}	121.3290	0.000	1	121.3290	0.000	1	121.4313	0.798	24	121.5989	2.317	71	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6]H)(H)2	C[6,6a](C[6,6]C[6,6]C[6a]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6]H)(H)2{2|C<3>,2|H<1>,4|C<4>}	C[6,6a](C[6,6]C[6,6]C[6a]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<2>,3|C<3>,3|C<4>,6|H<1>}	122.1220	0.000	1	122.1220	0.000	1	121.4313	0.798	24	121.5989	2.317	71	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]C)(H)2	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<3>,1|H<1>,2|O<2>,4|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]C)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|C<3>,2|C<4>,8|H<1>}	122.8740	0.000	1	122.8740	0.000	1	121.4313	0.798	24	121.5989	2.317	71	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]H)(H)2	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]H)(H)2{1|C<4>,1|S<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|S<4>,3|C<3>,5|H<1>}	122.0820	0.182	3	122.0817	0.022	4	121.4313	0.798	24	121.5989	2.317	71	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]H)(H)2	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]H)(H)2{1|C<4>,1|S<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,1|S<4>,3|C<3>,4|H<1>}	122.0810	0.000	1	122.0817	0.022	4	121.4313	0.798	24	121.5989	2.317	71	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6]H)(H)2	C[6,6a](C[6,6]C[6,6]N[6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6]H)(H)2{1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6]C[6,6]N[6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|C<3>,1|N<3>,1|O<2>,3|C<4>,4|H<1>}	119.4900	0.000	1	119.4900	0.000	1	121.4313	0.798	24	121.5989	2.317	71	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6]H)(H)2	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6]H)(H)2{1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,1|S<2>,2|C<3>,5|H<1>}	121.3340	0.000	1	121.3475	0.000	2	121.4313	0.798	24	121.5989	2.317	71	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6]H)(H)2	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6]H)(H)2{1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	121.3610	0.000	1	121.3475	0.000	2	121.4313	0.798	24	121.5989	2.317	71	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]O[6,6]C[6]H)(H)2	C[6,6a](C[6,6]C[6,6a]O[6,6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]O[6,6]C[6]H)(H)2{1|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6]C[6,6a]O[6,6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	120.6185	0.460	2	120.6185	0.212	2	121.4313	0.798	24	121.5989	2.317	71	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]O[6,6]O[6]C)(H)2	C[6,6a](C[6,6]C[6,6a]O[6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>,3|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]O[6,6]O[6]C)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6]C[6,6a]O[6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	121.4530	0.000	1	121.4530	0.000	1	121.4313	0.798	24	121.5989	2.317	71	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]C)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]O){2|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2{1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]C){1|C<4>,1|O<2>,3|C<3>,5|H<1>}	123.1980	0.000	1	123.1980	0.000	1	121.4313	0.798	24	121.5989	2.317	71	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]H)(H)2	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]O){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]H)(H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,1|S<4>,2|C<3>,5|H<1>}	121.6557	0.136	3	121.6557	0.019	3	121.4313	0.798	24	121.5989	2.317	71	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]O[6,6]C[6]H)(H)2	C[6,6a](C[6,6]O[6,6]C[6a]O[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]O){2|H<1>,3|C<3>,3|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]O[6,6]C[6]H)(H)2{1|C<4>,1|N<2>,1|N<3>,1|O<2>,2|C<3>}	C[6,6a](C[6,6]O[6,6]C[6a]O[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<2>,1|O<2>,3|C<3>,3|H<1>}	120.4860	0.181	2	120.4860	0.033	2	121.4313	0.798	24	121.5989	2.317	71	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]O[6,6]C[6]H)(H)2	C[6,6a](C[6,6]O[6,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]O){2|H<1>,3|C<3>,3|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]O[6,6]C[6]H)(H)2{1|C<4>,1|N<2>,1|N<3>,1|O<2>,2|C<3>}	C[6,6a](C[6,6]O[6,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]2){1|C<4>,1|N<2>,1|O<2>,3|C<3>,3|H<1>}	120.6950	0.000	1	120.6950	0.000	1	121.4313	0.798	24	121.5989	2.317	71	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]O[6,6]C[6]H)(H)2	C[6,6a](C[6,6]O[6,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]O){2|C<3>,2|O<2>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]O[6,6]C[6]H)(H)2{1|C<4>,1|N<2>,1|N<3>,1|O<2>,2|C<3>}	C[6,6a](C[6,6]O[6,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<2>,1|O<2>,3|H<1>}	120.6650	0.000	1	120.6650	0.000	1	121.4313	0.798	24	121.5989	2.317	71	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]O[6,6]C[6]H)(H)2	C[6,6a](C[6,6]O[6,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]N)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]O){1|N<3>,2|C<3>,2|H<1>,3|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]O[6,6]C[6]H)(H)2{1|C<4>,1|N<2>,1|N<3>,1|O<2>,2|C<3>}	C[6,6a](C[6,6]O[6,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]N){1|C<3>,1|C<4>,1|N<2>,1|O<2>,3|H<1>}	120.9250	0.000	1	120.9250	0.000	1	121.4313	0.798	24	121.5989	2.317	71	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6]H)(H)2	C[6,6a](C[6]N[6,6]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|N<3>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6]H)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[6,6a](C[6]N[6,6]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	117.5620	0.000	1	117.5620	0.000	1	117.5620	0.000	1	121.5989	2.317	71	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6]-4:N[6a]-3:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(N[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6,6]C[6]H)(H)2	C[6,6a](C[6,6]C[6,6]C[6]N)(C[6,6a]N[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(N[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6,6]C[6]H)(H)2{1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6]C[6,6]C[6]N)(C[6,6a]N[6a]C[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,6|H<1>}	124.2060	0.816	8	124.2060	0.666	8	124.2060	0.666	8	121.5989	2.317	71	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:2:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]HO)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]HO)(C[6a]C[6a]H){1|C<2>,1|C<3>,1|H<1>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(OH)(H){1|C<4>,2|H<1>,2|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6]){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	121.6860	0.000	1	121.6860	0.000	1	120.8590	0.546	3	120.8978	1.501	8	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:2:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]HO)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]HO)(C[6a]C[6a]H){1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(OH)(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6]){1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	120.4455	0.258	2	120.4455	0.067	2	120.8590	0.546	3	120.8978	1.501	8	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:2:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[5,6]HO)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]S[5]H)(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[5,6])	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[5,6]HO)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|S<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]S[5]H)(OH)(H){1|S<2>,2|H<1>,2|O<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[5,6]){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	118.4760	0.000	1	118.4760	0.000	1	120.7333	4.090	3	120.8978	1.501	8	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:2:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[5,6]HO)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6])	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[5,6]HO)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])(OH)(H){1|O<1>,1|S<2>,2|C<4>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6]){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	121.8620	0.733	2	121.8620	0.537	2	120.7333	4.090	3	120.8978	1.501	8	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:2:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C-2:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]CH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(CC)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]CH)(C[6a]C[6a]H){1|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(CC)(H){1|N<3>,1|O<2>,1|S<2>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<2>,1|C<4>,1|N<3>,2|C<3>,3|H<1>}	120.5090	0.000	1	120.5090	0.000	1	120.5090	0.000	1	120.8978	1.501	8	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:2:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:N[6]-2:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6]N[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H)(N[6]S[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]S[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6]N[6]H)(C[6a]C[6a]H){1|C<3>,1|S<4>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H)(N[6]S[6])(H){1|N<4>,1|O<2>,2|C<3>,2|C<4>,2|O<1>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]S[6]){1|C<3>,1|C<4>,1|N<2>,2|O<1>,3|H<1>}	121.8960	0.000	1	121.8960	0.000	1	121.8960	0.000	1	120.8978	1.501	8	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:2:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[3,6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[3,6]HO)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]C[3]C)(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[3,6]S)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[3,6]HO)(C[6a]C[6a]H){1|H<1>,1|S<4>,2|C<3>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]C[3]C)(OH)(H){1|N<3>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[3,6]S){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	117.6190	0.000	1	117.6190	0.000	1	117.6190	0.000	1	119.1459	1.562	20	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:2:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C-2:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]CH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(CN)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]S)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]CH)(C[6a]C[6a]H){1|C<3>,1|S<4>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(CN)(H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]S){1|C<2>,1|C<3>,2|C<4>,4|H<1>}	118.0540	0.000	1	118.0540	0.000	1	118.0540	0.000	1	119.1459	1.562	20	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:2:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:O-2:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HO)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(OC)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HO)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(OC)(H){1|C<4>,4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	119.1990	0.645	2	119.1990	0.416	2	119.6135	1.033	11	119.1459	1.562	20	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:2:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:O-2:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HO)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HO)(C[6a]C[6a]H){2|C<4>,2|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(OH)(H){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]O){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	120.1290	0.000	1	120.1290	0.000	1	119.6135	1.033	11	119.1459	1.562	20	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:2:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:O-2:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HO)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HO)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<1>,2|C<4>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(OH)(H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]O){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	119.4143	1.098	3	119.4700	0.784	5	119.6135	1.033	11	119.1459	1.562	20	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:2:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:O-2:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HO)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HO)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<1>,2|C<4>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(OH)(H){2|C<4>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]O){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	120.1450	0.000	1	119.4700	0.784	5	119.6135	1.033	11	119.1459	1.562	20	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:2:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:O-2:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HO)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HO)(C[6a]C[6a]H){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(OH)(H){1|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]O){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	118.9620	0.000	1	119.4700	0.784	5	119.6135	1.033	11	119.1459	1.562	20	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:2:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:O-2:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HO)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HO)(C[6a]C[6a]O){1|C<3>,1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(OH)(H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]O){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	119.1185	1.220	2	119.1185	1.488	2	119.6135	1.033	11	119.1459	1.562	20	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:2:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:O-2:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HO)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]O)(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HO)(C[6a]C[6a]O){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]O)(OH)(H){1|C<4>,2|H<1>,2|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	121.6350	0.000	1	121.6350	0.000	1	119.6135	1.033	11	119.1459	1.562	20	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:2:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HO)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HO)(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)(OH)(H){1|C<4>,1|O<1>,4|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	121.4590	0.000	1	121.4590	0.000	1	121.4590	0.000	1	119.1459	1.562	20	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:2:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6]HO)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]S)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6]HO)(C[6a]C[6a]H){1|C<4>,1|O<2>,1|S<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(OH)(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]S){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	117.1980	0.000	1	117.1980	0.000	1	117.1980	0.000	1	119.1459	1.562	20	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:2:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:O[6]-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]O[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6]O)(O[6]C[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]O[6]H)(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6]O)(O[6]C[6])(H){1|C<4>,1|H<1>,2|O<2>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	118.6280	0.000	1	118.1037	0.422	3	118.5680	0.650	5	119.1459	1.562	20	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:2:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:O[6]-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]O[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6]O)(O[6]C[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]O[6]H)(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6]O)(O[6]C[6])(H){1|C<4>,1|O<2>,2|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	118.3060	0.000	1	118.1037	0.422	3	118.5680	0.650	5	119.1459	1.562	20	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:2:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:O[6]-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]O[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6]O)(O[6]C[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]O[6]H)(C[6a]C[6a]H){2|H<1>,2|O<2>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6]O)(O[6]C[6])(H){1|C<4>,1|H<1>,1|O<2>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	117.3770	0.000	1	118.1037	0.422	3	118.5680	0.650	5	119.1459	1.562	20	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:2:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:O[6]-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]O[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O[6]H)(O[6]C[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]O[6]H)(C[6a]C[6a]H){2|O<2>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O[6]H)(O[6]C[6])(H){1|C<4>,1|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	119.2645	0.373	2	119.2645	0.139	2	118.5680	0.650	5	119.1459	1.562	20	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:2:1:	3:3:4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HO)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])(OC[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HO)(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])(OC[6])(H){1|C<4>,4|C<3>,7|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	119.9800	0.109	2	119.9800	0.012	2	119.9800	0.012	2	119.4538	3.010	5	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:2:1:	3:3:4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5]-4:O[6]-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5]O[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]2Fe)(O[6]C[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5]O[6]H)(C[6a]C[6a]H){1|Fe<10>,1|C<3>,3|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]2Fe)(O[6]C[6])(H){2|C<3>,3|C<4>,5|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	119.7590	0.000	1	119.7590	0.000	1	119.7590	0.000	1	119.4538	3.010	5	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:2:1:	3:3:4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HO)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HO)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)(OH)(H){1|O<2>,2|C<4>,4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	121.0620	0.000	1	121.0620	0.000	1	121.0620	0.000	1	119.4538	3.010	5	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:2:1:	3:3:4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:N[6]-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]N[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6]H)(N[6]C[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]N[6]H)(C[6a]C[6a]H){1|Br<1>,1|C<4>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6]H)(N[6]C[6])(H){1|C<4>,1|H<1>,1|N<2>,2|S<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2H){1|C<4>,1|S<2>,2|C<3>,2|N<2>,4|H<1>}	116.4880	0.000	1	116.4880	0.000	1	116.4880	0.000	1	119.4538	3.010	5	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:2:1:	3:4:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[3,6]-4:O-2:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[3,6]HO)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]O[3]C)(OC)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[3,6]HO)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[3,6]HO)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]O[3]C)(OC)(H){1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[3,6]HO)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	120.7500	0.000	1	120.7500	0.000	1	122.2210	3.061	4	122.0966	1.012	16	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:2:1:	3:4:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[3,6]-4:O-2:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[3,6]HO)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]O[3]H)(OC)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[3,6]HO)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[3,6]HO)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]O[3]H)(OC)(H){1|H<1>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[3,6]HO)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	120.6760	0.000	1	120.6760	0.000	1	122.2210	3.061	4	122.0966	1.012	16	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:2:1:	3:4:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[3,6]-4:O-2:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[3,6]HO)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]O[3]H)(OC)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[3,6]C[6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[3,6]HO)(C[6a]C[6a]O){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]O[3]H)(OC)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[3,6]C[6]O)(C[6a]C[6a]H){1|C<2>,2|C<3>,2|C<4>,3|H<1>,3|O<2>}	123.9340	0.000	1	123.9340	0.000	1	122.2210	3.061	4	122.0966	1.012	16	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:2:1:	3:4:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[3,6]-4:O-2:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[3,6]HO)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]O[3]H)(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[3,6]C[6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[3,6]HO)(C[6a]C[6a]O){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]O[3]H)(OH)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[3,6]C[6]O)(C[6a]C[6a]H){1|C<2>,2|C<3>,2|C<4>,3|H<1>,3|O<2>}	123.5240	0.000	1	123.5240	0.000	1	122.2210	3.061	4	122.0966	1.012	16	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:2:1:	3:4:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:O-2:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HO)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(OSi)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HO)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(OSi)(H){2|C<3>,3|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]O){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	120.6240	0.000	1	120.6240	0.000	1	122.0324	0.966	5	122.0966	1.012	16	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:2:1:	3:4:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:O-2:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HO)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HO)(C[6a]C[6a]O){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(OH)(H){1|O<1>,1|O<2>,2|C<3>,4|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]O){1|C<3>,2|H<1>,2|O<2>,3|C<4>}	122.6495	0.356	2	122.2400	0.566	3	122.0324	0.966	5	122.0966	1.012	16	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:2:1:	3:4:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:O-2:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HO)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HO)(C[6a]C[6a]O){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(OH)(H){1|O<2>,2|C<3>,2|H<1>,4|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]O){1|C<3>,2|H<1>,2|O<2>,3|C<4>}	121.4210	0.000	1	122.2400	0.566	3	122.0324	0.966	5	122.0966	1.012	16	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:2:1:	3:4:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:O-2:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HO)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(OC)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]CC)(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HO)(C[6a]C[6a]O){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(OC)(H){1|H<1>,2|C<3>,2|O<2>,4|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]CC)(C[6a]C[6a]O){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	122.8180	0.000	1	122.8180	0.000	1	122.0324	0.966	5	122.0966	1.012	16	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:2:1:	3:4:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:O-2:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HO)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HO)(C[6a]C[6a]O){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(OH)(H){1|O<2>,2|C<3>,6|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<3>,1|H<1>,3|C<4>,3|O<2>}	122.8890	0.000	1	122.8890	0.000	1	122.0714	0.340	7	122.0966	1.012	16	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:2:1:	3:4:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:O-2:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HO)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HO)(C[6a]C[6a]O){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(OH)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>,3|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]O){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	122.3560	0.023	2	121.9352	0.252	6	122.0714	0.340	7	122.0966	1.012	16	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:2:1:	3:4:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:O-2:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HO)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HO)(C[6a]C[6a]O){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(OH)(H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]O){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	121.7248	0.493	4	121.9352	0.252	6	122.0714	0.340	7	122.0966	1.012	16	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:2:1:	4:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6]HO)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(OH)(H)	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6]HO)(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(OH)(H){2|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,6|H<1>}	121.1810	0.000	1	121.1810	0.000	1	120.6184	0.259	5	120.1115	4.836	8	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:2:1:	4:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6]HO)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]C)(OH)(H)	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6]HO)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]C)(OH)(H){1|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|C<3>,1|C<4>,1|O<1>,2|O<2>,5|H<1>}	120.7950	0.000	1	120.7950	0.000	1	120.6184	0.259	5	120.1115	4.836	8	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:2:1:	4:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6]HO)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]C)(OSi)(H)	C[6,6a](C[5,6]C[5,5]C[5,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6]HO)(C[6a]C[6a]H){1|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]C)(OSi)(H){2|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[5,6]C[5,5]C[5,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|C<4>,1|N<2>,2|C<3>,2|O<2>,5|H<1>}	120.8490	0.000	1	120.6340	0.092	2	120.6184	0.259	5	120.1115	4.836	8	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:2:1:	4:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6]HO)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]C)(OSi)(H)	C[6,6a](C[5,6]C[5,5]C[5,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6]HO)(C[6a]C[6a]H){1|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]C)(OSi)(H){2|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[5,6]C[5,5]C[5,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|C<4>,2|C<3>,3|O<2>,5|H<1>}	120.4190	0.000	1	120.6340	0.092	2	120.6184	0.259	5	120.1115	4.836	8	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:2:1:	4:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6]HO)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]H)(OC)(H)	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6]HO)(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]H)(OC)(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[5,6]N[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,2|O<2>,4|H<1>}	119.8480	0.000	1	119.8480	0.000	1	120.6184	0.259	5	120.1115	4.836	8	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:2:1:	4:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:O-2:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HO)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(OC)(H)	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HO)(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(OC)(H){2|C<3>,3|C<4>,4|H<1>}	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	117.0770	0.789	2	117.0770	0.623	2	119.2667	14.695	3	120.1115	4.836	8	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:2:1:	4:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:O-2:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HO)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]O)(OC)(H)	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HO)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]O)(OC)(H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<4>,2|O<2>,3|C<3>,3|H<1>}	123.6460	0.000	1	123.6460	0.000	1	119.2667	14.695	3	120.1115	4.836	8	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:3:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[3,6]-4:C[6a]-3:H-1:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[3,6]C[6a]H)(C[6a]O[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]N[3]C)(C[6a]C[6a]2)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[3,6])	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[3,6]C[6a]H)(C[6a]O[6a]O){1|C<2>,1|C<4>,1|N<3>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]N[3]C)(C[6a]C[6a]2)(H){1|O<1>,3|C<3>,3|H<1>,3|O<2>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[3,6]){1|C<4>,1|N<3>,1|O<1>,2|H<1>,2|O<2>,3|C<3>}	124.7645	0.081	2	124.7645	0.007	2	124.7645	0.007	2	120.4850	4.010	44	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:3:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[3,6]-4:N-3:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[3,6]HN)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]C[3]C)(NC[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[3,6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[3,6]HN)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]C[3]C)(NC[6a]H)(H){1|O<2>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[3,6]){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	120.1910	0.000	1	120.1910	0.000	1	120.1910	0.000	1	120.4850	4.010	44	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:3:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C-3:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]CH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]2H)(CCH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]CH)(C[6a]C[6a]H){1|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]2H)(CCH)(H){1|C<4>,2|H<1>,2|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6]){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	116.1925	1.893	2	116.1925	3.583	2	116.1925	3.583	2	120.4850	4.010	44	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:3:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[5,6]C[6a]H)(C[6a]O[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[5,6])	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[5,6]C[6a]H)(C[6a]O[6a]O){1|H<1>,2|C<4>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<1>,2|O<2>,3|C<3>,5|H<1>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[5,6]){1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	122.2445	0.480	2	122.2445	0.231	2	122.2445	0.231	2	120.4850	4.010	44	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:3:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:N-3:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]HN)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(NC[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]HN)(C[6a]C[6a]H){1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(NC[6a]H)(H){1|C<4>,2|C<3>,2|O<2>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6]){1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	115.4860	0.000	1	115.4860	0.000	1	115.4860	0.000	1	120.4850	4.010	44	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:3:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5]-4:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5]C[6]H)(C[6a]C[6a]H){1|C<2>,1|N<3>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[6]C[6]C)(H){1|H<1>,1|O<1>,1|O<2>,2|N<3>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	120.7810	0.000	1	120.9035	0.184	4	120.7240	0.407	8	120.4850	4.010	44	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:3:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5]-4:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5]C[6]H)(C[6a]C[6a]H){1|C<2>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[6]C[6]C)(H){1|H<1>,1|O<1>,1|O<2>,2|N<3>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	120.9805	0.725	2	120.9035	0.184	4	120.7240	0.407	8	120.4850	4.010	44	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:3:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5]-4:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5]C[6]H)(C[6a]C[6a]H){1|Cl<1>,1|C<2>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[6]C[6]C)(H){1|H<1>,1|O<1>,1|O<2>,2|N<3>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	120.8720	0.000	1	120.9035	0.184	4	120.7240	0.407	8	120.4850	4.010	44	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:3:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5]-4:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]O[5]C)(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5]C[6]H)(C[6a]C[6a]H){1|C<2>,1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]O[5]C)(C[6]C[6]C)(H){1|N<3>,1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	120.5030	0.000	1	120.1895	0.197	2	120.7240	0.407	8	120.4850	4.010	44	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:3:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5]-4:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]O[5]C)(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5]C[6]H)(C[6a]C[6a]H){1|C<2>,1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]O[5]C)(C[6]C[6]C)(H){1|N<3>,1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	119.8760	0.000	1	120.1895	0.197	2	120.7240	0.407	8	120.4850	4.010	44	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:3:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5]-4:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]O[5]H)(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5]C[6]H)(C[6a]C[6a]H){1|C<2>,1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]O[5]H)(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	121.7180	0.000	1	120.8995	1.340	2	120.7240	0.407	8	120.4850	4.010	44	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:3:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5]-4:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]O[5]H)(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5]C[6]H)(C[6a]C[6a]H){1|C<2>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]O[5]H)(C[6]C[6]C)(H){1|N<3>,1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	120.0810	0.000	1	120.8995	1.340	2	120.7240	0.407	8	120.4850	4.010	44	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:3:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5]-4:N[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5]N[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]N[5]H)(N[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5]N[6]H)(C[6a]C[6a]H){1|N<3>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]N[5]H)(N[6]C[6]C)(H){1|N<2>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	119.6690	0.000	1	119.6690	0.000	1	119.6690	0.000	1	120.4850	4.010	44	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:3:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5]-4:N[6]-3:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5]N[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]C[5]F)(N[6]S[6]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]S[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5]N[6]H)(C[6a]C[6a]H){1|C<4>,1|F<1>,1|S<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]C[5]F)(N[6]S[6]C)(H){1|H<1>,1|N<3>,1|O<2>,3|O<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]S[6]){1|C<3>,1|C<4>,1|N<3>,2|O<1>,3|H<1>}	123.2220	0.000	1	123.2220	0.000	1	123.2220	0.000	1	120.4850	4.010	44	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:3:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6a]-3:H-1:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6,6]C[6a]H)(C[6a]O[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6,6])	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6,6]C[6a]H)(C[6a]O[6a]O){1|C<4>,1|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(H){2|C<4>,2|O<1>,2|O<2>,3|C<3>,3|H<1>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6,6]){1|O<1>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	122.4975	0.043	2	122.4975	0.002	2	122.4975	0.002	2	120.4850	4.010	44	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:3:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:N-3:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]HN)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(NC[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]HN)(C[6a]C[6a]H){1|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(NC[6a]H)(H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<3>,2|C<4>,2|N<3>,3|H<1>}	120.6080	0.000	1	120.2985	0.192	2	120.2985	0.192	2	120.4850	4.010	44	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:3:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:N-3:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]HN)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(NC[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]HN)(C[6a]C[6a]H){1|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(NC[6a]H)(H){2|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<3>,1|N<3>,1|O<2>,2|C<4>,3|H<1>}	119.9890	0.000	1	120.2985	0.192	2	120.2985	0.192	2	120.4850	4.010	44	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:3:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]2C[6])(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<4>,1|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]2C[6])(C[6a]C[6a]2)(H){1|N<2>,3|H<1>,9|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6]){1|C<4>,3|C<3>,3|H<1>}	117.7220	0.000	1	117.7220	0.000	1	117.7220	0.000	1	120.4850	4.010	44	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:3:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[5,6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[5,6a]H){1|O<2>,2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(O[6]C[6]){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	119.0210	0.000	1	119.0210	0.000	1	120.4844	1.165	16	120.4850	4.010	44	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:3:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]2)(H){2|O<2>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6]){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	120.3055	0.664	2	120.3055	0.441	2	120.4844	1.165	16	120.4850	4.010	44	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:3:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Br)(O[6]C[6,6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|Br<1>,1|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]2)(H){1|C<4>,2|O<2>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Br)(O[6]C[6,6]){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	119.4840	1.113	2	119.4840	1.239	2	120.4844	1.165	16	120.4850	4.010	44	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:3:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]2)(H){2|O<2>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	121.2847	0.529	3	121.2847	0.280	3	120.4844	1.165	16	120.4850	4.010	44	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:3:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]P)(O[6]C[6,6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<4>,1|P<3>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]2)(H){1|C<4>,2|O<2>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]P)(O[6]C[6,6]){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	119.7320	1.479	2	119.7320	2.188	2	120.4844	1.165	16	120.4850	4.010	44	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:3:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H){1|O<2>,4|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,3|C<3>,4|H<1>}	121.5373	0.744	3	120.9720	0.872	6	120.4844	1.165	16	120.4850	4.010	44	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:3:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){2|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H){1|O<2>,4|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,3|C<3>,4|H<1>}	120.7255	0.851	2	120.9720	0.872	6	120.4844	1.165	16	120.4850	4.010	44	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:3:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|Br<1>,1|C<4>,1|O<1>,2|C<3>,2|H<1>}	119.7690	0.000	1	120.9720	0.872	6	120.4844	1.165	16	120.4850	4.010	44	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:3:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]ClC)(C[6a]C[6a]2)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6])	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|Cl<1>,1|C<2>,1|C<4>,1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]ClC)(C[6a]C[6a]2)(H){1|N<2>,2|O<2>,3|H<1>,4|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[6]){1|C<4>,1|N<2>,1|O<2>,3|H<1>,4|C<3>}	121.1840	0.000	1	121.1840	0.000	1	121.1840	0.000	1	120.4850	4.010	44	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:3:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:N[6]-3:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6]N[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CH)(N[6]C[6]2)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6]N[6]H)(C[6a]C[6a]H){1|C<3>,3|H<1>,4|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CH)(N[6]C[6]2)(H){2|C<4>,2|O<2>,3|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<4>,1|N<3>,1|O<2>,2|C<3>,3|H<1>}	121.3940	0.000	1	121.3940	0.000	1	119.3420	7.251	3	120.4850	4.010	44	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:3:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:N[6]-3:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6]N[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]N[6]H)(N[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6]N[6]H)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]N[6]H)(N[6]C[6]C)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	118.3160	2.861	2	118.3160	8.185	2	119.3420	7.251	3	120.4850	4.010	44	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:3:1:	3:3:2:	C[6a,6a]-3:C[6]-4:C[6,6a]-3:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]O[6])	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6])	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]O[6]){1|C<4>,3|H<1>,6|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H){1|C<4>,1|H<1>,1|O<1>,2|O<2>,7|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6]){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	120.3040	0.000	1	120.3040	0.000	1	120.3040	0.000	1	120.4850	4.010	44	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:3:1:	3:3:3:	C[5a,6a]-3:C[6]-4:C[6,6a]-3:	C[6,6a]-3:C[6,6]-4:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[5a,6a]C[5a,6a]C[5a])(C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]N[6])	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6]C[6]3)(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[5a,6a]C[5a,6a]C[5a])(C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]N[6]){1|C<4>,1|N<2>,1|N<3>,3|H<1>,5|C<3>}	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6]C[6]3)(C[6a]C[6a]2)(H){2|O<1>,3|H<1>,3|N<3>,6|C<3>}	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,3|H<1>,4|C<3>}	120.8740	0.000	1	120.8740	0.000	1	120.8740	0.000	1	119.4853	2.483	38	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:3:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C-3:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]CH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(COO)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]CH)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(COO)(H){1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	120.9170	0.000	1	120.9170	0.000	1	119.1015	6.592	2	119.4853	2.483	38	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:3:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C-3:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]CH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H)(COO)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]CH)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H)(COO)(H){1|H<1>,2|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	117.2860	0.000	1	117.2860	0.000	1	119.1015	6.592	2	119.4853	2.483	38	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:3:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]CH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])(CCC)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]CH)(C[6a]C[6a]H){1|C<4>,1|S<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])(CCC)(H){1|C<4>,1|N<2>,1|N<3>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){1|C<4>,3|C<3>,4|H<1>}	116.9040	0.000	1	116.9040	0.000	1	116.9040	0.000	1	119.4853	2.483	38	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:3:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5]-4:N[6]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[5]N[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]O[5]H)(N[6]C[6,6a]C)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[5]N[6]H)(C[6a]C[6a]H){1|O<2>,3|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]O[5]H)(N[6]C[6,6a]C)(H){2|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	119.6700	0.000	1	119.6700	0.000	1	119.6700	0.000	1	119.4853	2.483	38	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:3:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5]-4:N[6]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5]N[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]N[5]C)(N[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Br)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5]N[6]H)(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|N<2>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]N[5]C)(N[6]C[6]C)(H){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Br)(C[6]C[6]H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	119.2300	0.215	2	119.2300	0.046	2	119.1934	0.826	5	119.4853	2.483	38	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:3:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5]-4:N[6]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5]N[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]N[5]C)(N[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5]N[6]H)(C[6a]C[6a]H){1|C<4>,1|N<2>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]N[5]C)(N[6]C[6]C)(H){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	118.6600	0.000	1	118.6600	0.000	1	119.1934	0.826	5	119.4853	2.483	38	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:3:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5]-4:N[6]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5]N[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]N[5]H)(N[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5]N[6]H)(C[6a]C[6a]H){1|N<3>,1|O<2>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]N[5]H)(N[6]C[6]C)(H){3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	120.6200	0.000	1	120.6200	0.000	1	119.1934	0.826	5	119.4853	2.483	38	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:3:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5]-4:N[6]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5]N[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]O[5]H)(N[6]N[6]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5]N[6]H)(C[6a]C[6a]H){1|N<2>,1|O<2>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]O[5]H)(N[6]N[6]C)(H){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	118.2270	0.000	1	118.2270	0.000	1	119.1934	0.826	5	119.4853	2.483	38	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:3:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]CH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O[6])(COO)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]CH)(C[6a]C[6a]H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O[6])(COO)(H){2|C<4>,3|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]O){1|C<4>,2|C<3>,3|H<1>}	119.1730	0.000	1	119.1730	0.000	1	119.1730	0.000	1	119.4853	2.483	38	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:3:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6]CH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)(CCH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6]CH)(C[6a]C[6a]H){1|C<4>,1|S<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)(CCH)(H){2|H<1>,2|O<1>,3|C<3>,3|N<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){1|C<4>,3|C<3>,4|H<1>}	117.7230	0.000	1	117.7230	0.000	1	117.7230	0.000	1	119.4853	2.483	38	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:3:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:B[5]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]B[5]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(B[5]O[5]2)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]B[5]C[6]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|O<2>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(B[5]O[5]2)(H){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|B<3>,1|C<4>,2|C<3>,4|H<1>}	120.8140	0.000	1	120.8140	0.000	1	120.8140	0.000	1	119.4853	2.483	38	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:3:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]2)(H)	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]2)(H){3|H<1>,7|C<3>}	C[6,6a](C[5,6]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,3|H<1>,6|C<3>}	121.6880	0.000	1	121.6880	0.000	1	121.6880	0.000	1	119.4853	2.483	38	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:3:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]2)(H)	C[6,6a](C[6,6]C[6,6]N[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<4>,1|N<2>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]2)(H){1|O<2>,4|H<1>,5|C<3>}	C[6,6a](C[6,6]C[6,6]N[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	120.2490	0.000	1	120.2490	0.000	1	120.2490	0.000	1	119.4853	2.483	38	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:3:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){4|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(C[6a]C[6a]2)(H){3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	118.2600	0.000	1	118.2600	0.000	1	118.2600	0.000	1	119.4853	2.483	38	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:3:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]2)(H){2|C<4>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){2|C<3>,3|C<4>,3|H<1>}	121.9310	0.000	1	121.9310	0.000	1	121.9310	0.000	1	119.4853	2.483	38	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:3:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]F)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]F){1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(C[6a]C[6a]2)(H){1|C<4>,1|F<1>,2|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O){1|F<1>,2|C<3>,2|C<4>,2|H<1>}	121.6560	0.000	1	121.6560	0.000	1	118.9382	1.468	8	119.4853	2.483	38	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:3:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<4>,3|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H){3|H<1>,8|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,3|C<3>,3|H<1>}	118.3130	0.731	2	118.3358	0.221	5	118.9382	1.468	8	119.4853	2.483	38	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:3:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|O<2>,3|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H){3|H<1>,8|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,3|C<3>,3|H<1>}	118.3350	0.590	2	118.3358	0.221	5	118.9382	1.468	8	119.4853	2.483	38	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:3:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){4|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H){3|H<1>,8|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	118.3830	0.000	1	118.3358	0.221	5	118.9382	1.468	8	119.4853	2.483	38	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:3:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|I<1>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(C[6a]C[6a]2)(H){1|C<4>,3|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O){2|C<3>,2|C<4>,3|H<1>}	119.3550	0.000	1	119.0855	0.145	2	118.9382	1.468	8	119.4853	2.483	38	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:3:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(C[6a]C[6a]2)(H){1|C<4>,3|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O){2|C<3>,2|C<4>,3|H<1>}	118.8160	0.000	1	119.0855	0.145	2	118.9382	1.468	8	119.4853	2.483	38	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:3:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H){1|Cl<1>,1|C<4>,1|N<3>,3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|Cl<1>,2|C<3>,2|C<4>,3|H<1>}	118.8890	0.000	1	118.8890	0.000	1	118.8890	0.000	1	119.4853	2.483	38	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:3:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]BrH)(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]O[5])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){2|Br<1>,1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]BrH)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]O[5])(C[6a]C[6a]H){2|C<3>,3|C<4>,4|H<1>}	120.2130	0.000	1	120.2130	0.000	1	120.2130	0.000	1	119.4853	2.483	38	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:3:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:N[5]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6]N[5]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(N[5]C[5]2)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6]N[5]H)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(N[5]C[5]2)(H){1|N<3>,1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	118.5500	0.000	1	118.5500	0.000	1	118.5500	0.000	1	119.4853	2.483	38	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:3:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:N[5]-3:H-1:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]C[6]N[5]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(N[5]C[5]2)(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]C[6]N[5]H)(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(N[5]C[5]2)(H){1|N<3>,1|O<1>,2|C<3>,3|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,3|C<4>,4|H<1>}	122.3890	0.000	1	122.3890	0.000	1	122.3890	0.000	1	119.4853	2.483	38	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:3:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:N[6]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]N[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]N[6]H)(N[6]B[5]C[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]N[6]H)(C[6a]C[6a]H){1|B<3>,1|N<3>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]N[6]H)(N[6]B[5]C[6])(H){1|B<3>,2|H<1>,2|O<2>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	117.4245	0.648	2	117.4245	0.420	2	118.0623	1.001	4	119.4853	2.483	38	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:3:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:N[6]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]N[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]N[6]H)(N[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]N[6]H)(C[6a]C[6a]H){1|N<3>,4|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]N[6]H)(N[6]C[6]C)(H){2|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	118.0090	0.000	1	118.0090	0.000	1	118.0623	1.001	4	119.4853	2.483	38	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:3:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:N[6]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]N[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]H)(N[6]C[6]2)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]N[6]H)(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]H)(N[6]C[6]2)(H){2|C<4>,5|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]O){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	119.3910	0.000	1	119.3910	0.000	1	118.0623	1.001	4	119.4853	2.483	38	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:3:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:N[6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]CC)(C[6]C[6]2)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N[6]H)(C[6a]C[6a]H){2|C<4>,2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]CC)(C[6]C[6]2)(H){1|H<1>,2|C<4>,2|O<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<4>,4|C<3>,4|H<1>}	119.4200	0.000	1	119.4200	0.000	1	119.4200	0.000	1	119.4853	2.483	38	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:3:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:P[6]-4:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]P[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(P[6]C[6a]C[6]S)(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]P[6]H)(C[6a]C[6a]H){1|S<1>,2|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(P[6]C[6a]C[6]S)(C[6a]C[6a]2)(H){4|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|P<4>,4|C<3>,4|H<1>}	122.1340	1.754	2	122.1340	3.075	2	122.1340	3.075	2	119.4853	2.483	38	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:3:1:	3:3:3:	C[6a,6a]-3:C[6]-4:C[6,6a]-3:	C[6,6a]-3:C[6,6]-4:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]N[6])	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]O[6a]O)(N[6]C[6,6]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]N[6]){1|O<1>,1|O<2>,2|C<4>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(H){1|N<3>,1|O<2>,5|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]O[6a]O)(N[6]C[6,6]H){1|C<4>,2|H<1>,4|C<3>}	120.2720	0.000	1	120.2720	0.000	1	120.7500	0.457	2	119.4853	2.483	38	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:3:1:	3:3:3:	C[6a,6a]-3:C[6]-4:C[6,6a]-3:	C[6,6a]-3:C[6,6]-4:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]N[6])	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6]3)(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]N[6]){1|C<4>,3|H<1>,7|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6]3)(C[6a]C[6a]2)(H){2|O<1>,3|H<1>,3|N<3>,6|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,3|H<1>,4|C<3>}	121.2280	0.000	1	121.2280	0.000	1	120.7500	0.457	2	119.4853	2.483	38	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:3:1:	3:3:4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]C[6]H)(C[6a]C[5,6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]O)(C[6]C[6]2)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[5,6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]C[6]H)(C[6a]C[5,6a]H){1|C<2>,1|C<4>,2|O<2>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]O)(C[6]C[6]2)(H){1|O<1>,1|O<2>,2|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[5,6]HH){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	123.6690	0.000	1	123.6690	0.000	1	123.6690	0.000	1	121.0515	2.381	28	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:3:1:	3:3:4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6]C[5,6]C[6a]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[5,6]HO)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6]C[5,6]C[6a]H)(C[6a]C[6a]H){1|C<4>,1|O<2>,3|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,2|C<4>,4|C<3>,4|H<1>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[5,6]HO){2|C<4>,4|C<3>,4|H<1>}	123.3810	0.000	1	123.3810	0.000	1	123.3810	0.000	1	121.0515	2.381	28	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:3:1:	3:3:4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5]-4:N[6]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5]N[6]H)(C[6a]C[5,6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]O[5]H)(N[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5]N[6]H)(C[6a]C[5,6a]H){2|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]O[5]H)(N[6]C[6]C)(H){2|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	121.0865	0.285	2	121.0865	0.081	2	120.8336	0.325	7	121.0515	2.381	28	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:3:1:	3:3:4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5]-4:N[6]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5]N[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]C[5]O)(N[6]C[6a]C[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5]N[6]H)(C[6a]C[6a]H){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]C[5]O)(N[6]C[6a]C[6])(H){1|C<4>,1|N<3>,1|O<1>,3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	121.0725	0.820	2	121.0725	0.672	2	120.8336	0.325	7	121.0515	2.381	28	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:3:1:	3:3:4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5]-4:N[6]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5]N[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]O[5]H)(N[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5]N[6]H)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]O[5]H)(N[6]C[6]C)(H){2|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	120.4640	0.788	2	120.4640	0.620	2	120.8336	0.325	7	121.0515	2.381	28	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:3:1:	3:3:4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5]-4:N[6]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5]N[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]O[5]C)(N[6]C[6a]C[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5]N[6]H)(C[6a]C[6a]H){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]O[5]C)(N[6]C[6a]C[6])(H){1|C<4>,1|N<2>,1|O<1>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	120.5890	0.000	1	120.5890	0.000	1	120.8336	0.325	7	121.0515	2.381	28	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:3:1:	3:3:4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|O<2>,2|C<4>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H){1|C<4>,5|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	121.4620	0.042	2	121.4620	0.002	2	121.5990	1.182	4	121.0515	2.381	28	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:3:1:	3:3:4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<4>,4|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H){1|C<4>,5|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,2|C<3>,5|H<1>}	123.0530	0.000	1	123.0530	0.000	1	121.5990	1.182	4	121.0515	2.381	28	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:3:1:	3:3:4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]H)(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|O<2>,4|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]H)(C[6a]C[6a]2)(H){1|C<4>,3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HH){1|C<4>,2|C<3>,3|H<1>}	120.4190	0.000	1	120.4190	0.000	1	121.5990	1.182	4	121.0515	2.381	28	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:3:1:	3:3:4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:N[5]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]N[5]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(N[5]C[5]2)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]N[5]H)(C[6a]C[6a]H){1|C<4>,3|C<3>,6|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(N[5]C[5]2)(H){1|C<4>,2|O<1>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	120.2802	0.731	4	120.2802	0.534	4	120.3246	0.410	5	121.0515	2.381	28	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:3:1:	3:3:4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:N[5]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]N[5]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(N[5]C[5]2)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]N[5]H)(C[6a]C[6a]H){2|C<4>,3|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(N[5]C[5]2)(H){1|O<1>,1|O<2>,2|C<4>,4|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	120.5020	0.000	1	120.5020	0.000	1	120.3246	0.410	5	121.0515	2.381	28	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:3:1:	3:3:4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:N[6]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]N[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6]H)(N[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]N[6]H)(C[6a]C[6a]H){1|C<4>,4|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6]H)(N[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|O<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2H){1|C<4>,1|O<1>,2|C<3>,2|N<3>,4|H<1>}	115.8470	0.000	1	115.8470	0.000	1	120.8539	4.478	10	121.0515	2.381	28	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:3:1:	3:3:4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:N[6]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]N[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]N[6]H)(N[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]N[6]H)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]N[6]H)(N[6]C[6]C)(H){3|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	122.5455	0.009	2	122.5455	0.000	2	120.8539	4.478	10	121.0515	2.381	28	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:3:1:	3:3:4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:N[6]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]N[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]N[6]H)(N[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]N[6]H)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,6|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]N[6]H)(N[6]C[6]H)(H){2|C<4>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	120.8765	0.069	2	120.8765	0.005	2	120.8539	4.478	10	121.0515	2.381	28	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:3:1:	3:3:4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:N[6]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]N[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]N[6]H)(N[6]C[6a]C[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]N[6]H)(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]N[6]H)(N[6]C[6a]C[6])(H){2|C<4>,3|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	120.3495	1.828	2	120.3495	3.341	2	120.8539	4.478	10	121.0515	2.381	28	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:3:1:	3:3:4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:N[6]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]N[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H)(N[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]N[6]H)(C[6a]C[6a]H){1|C<1>,2|C<3>,3|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H)(N[6]C[6]C)(H){2|C<3>,3|C<4>,7|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	121.0260	0.750	2	121.7163	1.711	3	120.8539	4.478	10	121.0515	2.381	28	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:3:1:	3:3:4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:N[6]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]N[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H)(N[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]N[6]H)(C[6a]C[6a]H){2|C<3>,4|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H)(N[6]C[6]C)(H){2|C<3>,3|C<4>,7|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	123.0970	0.000	1	121.7163	1.711	3	120.8539	4.478	10	121.0515	2.381	28	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:3:1:	3:4:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C-3:H-1:	C[6,6a]-3:C[6]-4:S[6a]-2:	C[6,6a](C[6,6a]S[6a]C[6])(C[6]C[5,6]CH)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(CCH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(S[6a]C[6a])	C[6,6a](C[6,6a]S[6a]C[6])(C[6]C[5,6]CH)(C[6a]C[6a]O){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(CCH)(H){1|C<3>,1|O<1>,1|S<2>,2|H<1>,4|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(S[6a]C[6a]){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	121.6587	0.620	8	121.6587	0.385	8	121.6587	0.385	8	121.6587	0.385	8	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:3:1:	3:4:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C-3:H-1:	C[6,6a]-3:N[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]CH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(CCH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[5,6]HH)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]CH)(C[6a]C[6a]H){1|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(CCH)(H){1|N<4>,2|C<3>,2|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[5,6]HH)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	122.7950	0.000	1	122.7950	0.000	1	122.7950	0.000	1	121.9360	0.560	3	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:3:1:	3:4:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]H)(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]O[6]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|O<2>,4|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]H)(C[6a]C[6a]2)(H){1|C<4>,3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]O[6]H)(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	121.5065	0.112	2	121.5065	0.013	2	121.5065	0.013	2	121.9360	0.560	3	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:3:1:	4:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6]C[6a]H)(C[6a]C[5,6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H)	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6]C[6a]H)(C[6a]C[5,6a]H){2|C<4>,2|O<2>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H){1|O<2>,2|C<4>,4|C<3>,6|H<1>}	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	119.8650	0.000	1	119.8650	0.000	1	119.8650	0.000	1	120.0579	4.533	10	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:3:1:	4:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[6a]-3:O-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6]C[6a]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(O)	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6]C[6a]O)(C[6a]C[6a]H){2|C<4>,2|O<2>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(O){2|C<4>,2|O<2>,4|C<3>,5|H<1>}	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|H<1>,1|O<1>,2|C<3>,2|O<2>,3|C<4>}	121.8470	0.000	1	121.8470	0.000	1	121.8470	0.000	1	120.0579	4.533	10	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:3:1:	4:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C-3:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]CH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(CC[6a]O)(H)	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]CH)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(CC[6a]O)(H){1|C<4>,3|C<3>,5|H<1>}	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	122.0980	0.000	1	122.0980	0.000	1	122.0980	0.000	1	120.0579	4.533	10	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:3:1:	4:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]CH)(C[6a]C[6a]2)(H)	C[6,6a](C[3,6]C[3,6]O[3]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]CH)(C[6a]C[6a]2)(H){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	C[6,6a](C[3,6]C[3,6]O[3]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,2|C<3>,4|H<1>}	121.9700	0.000	1	121.9700	0.000	1	119.3790	3.127	4	120.0579	4.533	10	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:3:1:	4:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[3,6]CH)(C[6a]C[6a]2)(H)	C[6,6a](C[3,6]N[3,6]O[3]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<2>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[3,6]CH)(C[6a]C[6a]2)(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6,6a](C[3,6]N[3,6]O[3]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	118.4665	0.644	2	118.5153	0.215	3	119.3790	3.127	4	120.0579	4.533	10	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:3:1:	4:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[3,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[3,6]CH)(C[6a]C[6a]2)(H)	C[6,6a](C[3,6]N[3,6]O[3]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<4>,1|N<4>,1|O<2>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[3,6]CH)(C[6a]C[6a]2)(H){1|O<2>,2|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[3,6]N[3,6]O[3]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	118.6130	0.000	1	118.5153	0.215	3	119.3790	3.127	4	120.0579	4.533	10	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:3:1:	4:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[5,6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]2)(H)	C[6,6a](C[5,6,6]C[6,6]N[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|N<3>,2|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]2)(H){2|C<4>,3|H<1>,5|C<3>}	C[6,6a](C[5,6,6]C[6,6]N[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){3|C<4>,5|C<3>,5|H<1>}	116.0060	0.000	1	116.0060	0.000	1	116.0060	0.000	1	120.0579	4.533	10	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:3:1:	4:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]2)(H)	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<4>,4|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]2)(H){1|C<4>,3|H<1>,6|C<3>}	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,3|H<1>,6|C<3>}	122.2760	0.000	1	122.2760	0.000	1	121.6235	0.852	2	120.0579	4.533	10	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:3:1:	4:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]C[6a]H)(C[6a]C[6a]2)(H)	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]C[6a]H)(C[6a]C[6a]2)(H){2|C<4>,3|H<1>,6|C<3>}	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<4>,4|C<3>,4|H<1>}	120.9710	0.000	1	120.9710	0.000	1	121.6235	0.852	2	120.0579	4.533	10	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:3:2:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[5a]-3:O-2:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[5a]O)(C[5a]C[5a]2)(OH)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6]O)(C[6a]C[6a]H){1|Br<1>,1|H<1>,1|O<2>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[5a]O)(C[5a]C[5a]2)(OH){1|C<4>,1|S<2>,2|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	120.9510	0.618	4	120.9510	0.382	4	120.9510	0.382	4	120.9510	0.382	4	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:3:3:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]2C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(C[6a]C[6a]2)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]2C[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,7|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(C[6a]C[6a]2)2{1|N<2>,6|H<1>,8|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|C<4>,3|C<3>,3|H<1>}	120.3370	0.249	2	120.3370	0.062	2	120.3370	0.062	2	120.3370	0.062	2	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:3:3:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]2C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6a]2)(C[6a]C[6a]2)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]C)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]2C[6])(C[6a]C[6a]H){1|C<4>,1|H<1>,9|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6a]2)(C[6a]C[6a]2)2{12|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]C){2|C<4>,2|H<1>,5|C<3>}	117.4215	1.003	2	117.4215	1.007	2	118.2077	2.358	3	118.0168	1.024	6	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:3:3:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]2C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(C[6a]C[6a]2)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]2C[6])(C[6a]C[6a]H){4|H<1>,7|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(C[6a]C[6a]2)2{5|H<1>,8|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	119.7800	0.000	1	119.7800	0.000	1	118.2077	2.358	3	118.0168	1.024	6	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:3:3:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]2C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]2C[6])(C[6a]C[6a]H){1|O<2>,2|H<1>,8|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)2{10|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,6|C<3>}	117.7040	0.000	1	117.8260	0.094	3	117.8260	0.094	3	118.0168	1.024	6	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:3:3:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]2C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]2C[6])(C[6a]C[6a]H){3|H<1>,8|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)2{10|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,6|C<3>}	117.8870	0.407	2	117.8260	0.094	3	117.8260	0.094	3	118.0168	1.024	6	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:3:3:	3:3:4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:B[5]-3:B[5]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]B[5]2C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(B[5]O[5]2)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]B[5]2C[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,4|O<2>,6|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(B[5]O[5]2)2{2|C<3>,3|H<1>,5|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,2|B<3>,4|H<1>}	121.4920	0.000	1	121.4920	0.000	1	121.4920	0.000	1	121.4920	0.000	1	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:3:4:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5]-4:C[6]-3:C-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5]C[6]C)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]C[5]C)(C[6]C[6]O)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5]C[6]C)(C[6a]C[6a]H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]C[5]C)(C[6]C[6]O)(CH3){1|C<4>,1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){2|C<3>,2|H<1>,3|C<4>}	120.2280	0.000	1	120.2280	0.000	1	120.6605	0.374	2	120.6340	0.189	3	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:3:4:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5]-4:C[6]-3:C-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5]C[6]C)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]2H)(C[6]C[6]O)(CCHH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5]C[6]C)(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]2H)(C[6]C[6]O)(CCHH){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]H){2|C<3>,2|C<4>,3|H<1>}	121.0930	0.000	1	121.0930	0.000	1	120.6605	0.374	2	120.6340	0.189	3	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:3:4:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6]C)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]2)(CCHH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6]C)(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]2)(CCHH){1|N<3>,1|O<2>,2|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]H){2|C<4>,2|H<1>,4|C<3>}	120.5810	0.000	1	120.5810	0.000	1	120.5810	0.000	1	120.6340	0.189	3	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:4:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[3,6]-4:C-4:H-1:	C[6a,6a]-3:C[6,6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[3,6]CH)(C[6a]O[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]N[3]C)(CCCH)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[3,6])	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[3,6]CH)(C[6a]O[6a]O){1|C<2>,1|C<4>,1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]N[3]C)(CCCH)(H){1|C<3>,1|H<1>,1|O<1>,3|O<2>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(O[6]C[3,6]){1|N<3>,1|O<1>,2|C<3>,2|C<4>,2|H<1>,2|O<2>}	124.8200	0.000	1	124.8200	0.000	1	124.8200	0.000	1	118.9467	6.670	15	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:4:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]CH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]2H)(CCHH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]CH)(C[6a]C[6a]H){1|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]2H)(CCHH)(H){1|C<4>,2|H<1>,2|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6]){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	117.1950	2.368	3	117.1950	5.610	3	117.4834	2.473	9	118.9467	6.670	15	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:4:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]CH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H)(CH3)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]CH)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H)(CH3)(H){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6]){2|C<3>,3|C<4>,3|H<1>}	116.3430	0.000	1	116.9682	0.408	4	117.4834	2.473	9	118.9467	6.670	15	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:4:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]CH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H)(CH3)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]CH)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H)(CH3)(H){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6]){2|C<3>,2|H<1>,4|C<4>}	117.1767	0.592	3	116.9682	0.408	4	117.4834	2.473	9	118.9467	6.670	15	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:4:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]CH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])(CHHN)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]CH)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])(CHHN)(H){1|C<4>,1|N<2>,1|N<3>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){2|C<3>,2|C<4>,4|H<1>}	119.8820	0.000	1	118.9465	1.750	2	117.4834	2.473	9	118.9467	6.670	15	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:4:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]CH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])(CHHN)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]CH)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])(CHHN)(H){1|O<2>,2|C<3>,2|C<4>,2|O<1>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	118.0110	0.000	1	118.9465	1.750	2	117.4834	2.473	9	118.9467	6.670	15	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:4:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6]CH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(CF3)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6,6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6]CH)(C[6a]C[6a]H){3|C<3>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(CF3)(H){1|H<1>,1|N<2>,1|O<1>,2|C<3>,2|N<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6,6]){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	118.0600	0.000	1	118.0600	0.000	1	118.0600	0.000	1	118.9467	6.670	15	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:4:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]CH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(CHHN)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]CH)(C[6a]C[6a]H){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(CHHN)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<3>,3|C<4>,4|H<1>}	121.9720	0.000	1	121.3260	0.835	2	120.9922	0.767	4	118.9467	6.670	15	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:4:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]CH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(CHHN)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]CH)(C[6a]C[6a]H){1|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(CHHN)(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	120.6800	0.000	1	121.3260	0.835	2	120.9922	0.767	4	118.9467	6.670	15	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:4:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]CH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)(CHHN)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]CH)(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)(CHHN)(H){1|C<4>,1|O<2>,2|O<1>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	119.9440	0.000	1	120.6585	1.021	2	120.9922	0.767	4	118.9467	6.670	15	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:4:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]CH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)(CHHN)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]CH)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)(CHHN)(H){1|C<4>,1|O<2>,2|O<1>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	121.3730	0.000	1	120.6585	1.021	2	120.9922	0.767	4	118.9467	6.670	15	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:4:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C-4:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]CH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(CF3)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]CH)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(CF3)(H){2|C<4>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	120.0490	0.000	1	120.0490	0.000	1	120.0490	0.000	1	119.1769	1.392	15	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:4:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]CH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2O[6])(CCHH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]CH)(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2O[6])(CCHH)(H){1|O<1>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]O){1|C<3>,2|C<4>,3|H<1>}	119.1525	0.144	2	119.1525	0.021	2	119.1525	0.021	2	119.1769	1.392	15	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:4:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]CH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]C)(CH3)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]S)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]CH)(C[6a]C[6a]H){1|C<3>,1|O<2>,1|S<4>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]C)(CH3)(H){1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]S){2|C<3>,2|C<4>,4|H<1>}	118.2130	0.000	1	118.2130	0.000	1	117.9617	0.194	3	119.1769	1.392	15	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:4:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]CH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H)(CH3)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]S)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]CH)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,1|S<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H)(CH3)(H){1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]S){2|C<3>,2|C<4>,4|H<1>}	118.2190	0.000	1	118.2190	0.000	1	117.9617	0.194	3	119.1769	1.392	15	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:4:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]CH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]N)(CCHH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]S)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]CH)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,1|S<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]N)(CCHH)(H){1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]S){2|C<3>,2|C<4>,4|H<1>}	117.4530	0.000	1	117.4530	0.000	1	117.9617	0.194	3	119.1769	1.392	15	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:4:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C-4:H-1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6]C[5,6]CH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]H)(CH3)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]N[5,6]O)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6]C[5,6]CH)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]H)(CH3)(H){2|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]N[5,6]O){3|C<3>,3|C<4>,3|H<1>}	119.1770	0.000	1	119.1770	0.000	1	119.1770	0.000	1	119.1769	1.392	15	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:4:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:S-4:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HS)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(SC[6a]OO)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HS)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(SC[6a]OO)(H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|S<4>,2|C<4>,4|H<1>}	119.3450	0.314	2	120.2590	1.180	4	120.2590	1.180	4	119.1769	1.392	15	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:4:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:S-4:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HS)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(SC[6a]OO)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HS)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(SC[6a]OO)(H){2|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|S<4>,2|C<3>,2|C<4>,3|H<1>}	121.1730	0.318	2	120.2590	1.180	4	120.2590	1.180	4	119.1769	1.392	15	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:4:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5]-4:C[6]-4:H-1:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6]C[5]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]O[5]O)(C[6]C[5a,6]CC)(H)	C[6,6a](N[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6]C[5]C[6]H)(C[6a]C[6a]H){1|H<1>,1|N<2>,2|C<4>,3|C<3>,3|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]O[5]O)(C[6]C[5a,6]CC)(H){1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C[6,6a](N[5a,6]C[5a,6]N[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	119.9520	0.000	1	119.9520	0.000	1	119.9520	0.000	1	119.1769	1.392	15	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:4:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C-4:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CH)(C[6a]C[6a]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]O[6]2)(CHHO)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]C)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CH)(C[6a]C[6a]C){2|O<2>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]O[6]2)(CHHO)(H){2|C<4>,5|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]C){2|C<4>,2|H<1>,5|C<3>}	116.9390	0.000	1	116.9390	0.000	1	116.9390	0.000	1	119.1769	1.392	15	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:4:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C-4:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]CH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(CH3)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]CH)(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(CH3)(H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]O){2|C<3>,2|C<4>,3|H<1>}	119.1550	0.238	2	119.1550	0.056	2	119.1550	0.056	2	119.1769	1.392	15	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:4:1:	3:3:4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:N[5]-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]N[5]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(N[5]C[5]2H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]N[5]H)(C[6a]C[6a]H){1|C<3>,3|C<4>,7|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(N[5]C[5]2H)(H){2|C<3>,3|C<4>,7|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<4>,5|H<1>}	121.1670	0.000	1	121.1670	0.000	1	121.1670	0.000	1	121.1670	0.000	1	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:4:1:	3:4:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C-4:H-1:	C[6,6a]-3:C[6]-4:N[6a]-2:	C[6,6a](C[6,6a]N[6a]C[6])(C[6]C[6,6]CH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]2C)(CH3)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(N[6a]C[6a])	C[6,6a](C[6,6a]N[6a]C[6])(C[6]C[6,6]CH)(C[6a]C[6a]H){1|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]2C)(CH3)(H){1|C<3>,1|N<2>,3|H<1>,4|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(N[6a]C[6a]){1|C<3>,3|C<4>,4|H<1>}	122.0400	0.000	1	122.0400	0.000	1	122.0400	0.000	1	122.0400	0.000	1	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:4:1:	3:4:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]CH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]O)(CC[6a]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]CH)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]O)(CC[6a]HH)(H){2|C<3>,3|H<1>,4|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	118.7505	0.210	2	118.7505	0.044	2	118.7505	0.044	2	119.5540	1.959	3	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:4:1:	3:4:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]CH)(C[6a]C[6a]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]H)(CH3)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]CH)(C[6a]C[6a]C){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]H)(CH3)(H){1|H<1>,2|C<3>,4|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<3>,3|H<1>,4|C<4>}	121.1610	0.000	1	121.1610	0.000	1	121.1610	0.000	1	119.5540	1.959	3	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:4:1:	4:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C-4:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6]CH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(CCHH)(H)	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6]CH)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(CCHH)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	121.4440	0.000	1	121.4440	0.000	1	121.4440	0.000	1	120.3326	6.009	7	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:4:1:	4:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C-4:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]CH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(CCHH)(H)	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]CH)(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(CCHH)(H){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<4>,4|C<3>,4|H<1>}	117.6380	0.000	1	116.8265	1.317	2	116.8265	1.317	2	120.3326	6.009	7	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:4:1:	4:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C-4:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]CH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(CCHH)(H)	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]CH)(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(CCHH)(H){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<4>,4|C<3>,4|H<1>}	116.0150	0.000	1	116.8265	1.317	2	116.8265	1.317	2	120.3326	6.009	7	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:4:1:	4:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C-4:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]CH)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]H)(CH3)(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]CH)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]H)(CH3)(H){1|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,4|C<4>,5|H<1>}	121.5100	0.000	1	121.5100	0.000	1	121.8345	0.211	2	120.3326	6.009	7	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:4:1:	4:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C-4:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]CH)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]H)(CH3)(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]CH)(C[6a]C[6a]O){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]H)(CH3)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,1|S<4>,2|C<3>,2|C<4>,4|H<1>}	122.1590	0.000	1	122.1590	0.000	1	121.8345	0.211	2	120.3326	6.009	7	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:4:1:	4:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5]C[6]H)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(C[5]C[5]2H)(H)	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5]C[6]H)(C[6a]C[6a]H){2|C<4>,3|C<3>,6|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(C[5]C[5]2H)(H){1|C<4>,1|O<1>,1|O<2>,4|C<3>,4|H<1>}	C[6,6a](C[5,6]C[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<3>,3|C<4>,3|H<1>}	121.7810	0.028	2	121.7810	0.001	2	121.7810	0.001	2	120.3326	6.009	7	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:4:2:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C-4:O-2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]CO)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(CH3)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]CO)(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(CH3)(OH){1|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]O){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	117.4950	0.000	3	117.4950	0.000	3	117.4950	0.000	3	117.4950	0.000	3	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:4:2:	3:3:4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C-4:O-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]CO)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)(CCHH)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]CO)(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)(CCHH)(OH){2|C<4>,3|C<3>,6|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	121.9250	0.000	1	121.9250	0.000	1	121.9250	0.000	1	121.9250	0.000	1	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:4:2:	3:4:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[3,6]-4:C[6]-4:O-2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[3,6]C[6]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]O[3]H)(C[6]C[6,6a]C[6]C)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[3,6]HO)(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[3,6]C[6]O)(C[6a]C[6a]H){1|C<2>,2|C<3>,2|C<4>,3|H<1>,3|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]O[3]H)(C[6]C[6,6a]C[6]C)(OC){2|C<4>,4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[3,6]HO)(C[6a]C[6a]O){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	122.5155	0.128	2	122.5155	0.016	2	122.5155	0.016	2	122.5155	0.016	2	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:4:3:	3:4:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C-4:C-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(CCHH)(COO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]CC)(C[6a]C[6a]H){1|C<4>,2|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(CCHH)(COO){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	116.9510	0.000	1	116.9510	0.000	1	117.1260	0.061	2	117.1260	0.061	2	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:4:3:	3:4:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C-4:C-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(CH3)(COO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]CC)(C[6a]C[6a]H){1|C<4>,2|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(CH3)(COO){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]H){2|H<1>,3|C<3>,3|C<4>}	117.3010	0.000	1	117.3010	0.000	1	117.1260	0.061	2	117.1260	0.061	2	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:4:4:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C-4:C-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]Ru)(CH3)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Si)(O[6]C[6,6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]CC)(C[6a]C[6a]H){1|Ru<9>,1|Si<4>,1|C<3>,1|H<1>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]Ru)(CH3)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Si)(O[6]C[6,6]){1|Ru<9>,1|C<3>,2|H<1>,4|C<4>}	119.5280	0.000	1	119.5280	0.000	1	119.5280	0.000	1	119.5280	0.000	1	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:4:4:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C-4:C-4:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(CH3)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]H)(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]CC)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(CH3)2{2|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]H)(C[6a]C[6a]2){2|H<1>,3|C<3>,4|C<4>}	120.2860	0.000	1	120.2860	0.000	1	120.3135	0.002	2	121.6640	0.740	9	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:4:4:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C-4:C-4:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(CH3)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]CC)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(CH3)2{2|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]H)(C[6a]C[6a]H){1|C<3>,2|H<1>,4|C<4>}	120.3410	0.000	1	120.3410	0.000	1	120.3135	0.002	2	121.6640	0.740	9	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:4:4:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C-4:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(CH3)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]CC)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(CH3)2{1|C<4>,2|C<3>,2|N<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]H){1|C<3>,3|H<1>,4|C<4>}	122.4575	0.269	2	122.4575	0.073	2	122.4575	0.073	2	121.6640	0.740	9	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:4:4:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C-4:C-4:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(CH3)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]CC)(C[6a]C[6a]H){1|C<2>,1|O<1>,2|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(CH3)2{1|H<1>,1|O<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]O){2|C<3>,2|H<1>,3|C<4>}	122.0380	0.000	1	122.0380	0.000	1	122.0483	0.011	3	121.6640	0.740	9	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:4:4:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C-4:C-4:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(CH3)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]CC)(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(CH3)2{1|C<4>,1|S<2>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]H)(C[6a]C[6a]H){1|C<3>,1|S<2>,3|C<4>,3|H<1>}	122.0535	0.145	2	122.0535	0.021	2	122.0483	0.011	3	121.6640	0.740	9	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:4:4:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C-4:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(CH3)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6]CC)(C[6a]C[6a]H){1|C<3>,2|H<1>,4|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(CH3)2{1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]C){1|C<3>,3|H<1>,4|C<4>}	121.1580	0.000	1	121.1580	0.000	1	121.1580	0.000	1	121.6640	0.740	9	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:4:4:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:Si[6]-4:C-4:C-4:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6]Si[6]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(Si[6]B[5a,6]HN)(CH3)2	C[6,6a](N[5a,6]B[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]C)	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6]Si[6]CC)(C[6a]C[6a]H){1|B<3>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(Si[6]B[5a,6]HN)(CH3)2{1|H<1>,2|C<3>,2|N<3>}	C[6,6a](N[5a,6]B[5a,6]C[5a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]C){1|Si<4>,1|N<3>,2|C<3>,2|C<4>,3|H<1>}	122.1310	0.000	1	122.1310	0.000	1	122.1310	0.000	1	121.6640	0.740	9	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:4:4:	3:4:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C-4:C-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(CH3)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]CC)(C[6a]C[6a]H){1|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(CH3)2{1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	123.0140	0.000	1	123.0140	0.000	1	122.5115	0.505	2	123.0449	0.452	7	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:4:4:	3:4:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C-4:C-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]CC)(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(CH3)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HO)(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]CC)(C[6a]C[6a]O){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(CH3)2{1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HO)(C[6a]C[6a]O){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	122.0090	0.000	1	122.0090	0.000	1	122.5115	0.505	2	123.0449	0.452	7	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:4:4:	3:4:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C-4:C-4:	C[6,6a]-3:N[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(CH3)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[5,6]HH)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]CC)(C[6a]C[6a]H){1|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(CH3)2{1|N<4>,2|C<3>,2|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[5,6]HH)(C[6a]C[6a]H){1|C<3>,3|H<1>,4|C<4>}	123.3800	0.000	1	123.3800	0.000	1	123.3800	0.000	1	123.0449	0.452	7	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:4:4:	3:4:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C-4:C-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(CH3)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]CC)(C[6a]C[6a]H){1|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(CH3)2{1|S<2>,2|C<3>,2|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<3>,1|S<2>,3|C<4>,3|H<1>}	124.2360	0.000	1	124.2360	0.000	1	123.2278	0.464	4	123.0449	0.452	7	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:4:4:	3:4:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C-4:C-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6]H)(CH3)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]CC)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6]H)(CH3)2{2|C<3>,2|H<1>,4|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	122.9750	0.000	1	122.9750	0.000	1	123.2278	0.464	4	123.0449	0.452	7	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:4:4:	3:4:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C-4:C-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]H)(CH3)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]CC)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]H)(CH3)2{2|C<3>,2|H<1>,3|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<3>,1|F<1>,2|H<1>,4|C<4>}	122.9670	0.000	1	122.8500	0.027	2	123.2278	0.464	4	123.0449	0.452	7	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:4:4:	3:4:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C-4:C-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]H)(CH3)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]CC)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]H)(CH3)2{2|C<3>,2|H<1>,3|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<3>,3|H<1>,4|C<4>}	122.7330	0.000	1	122.8500	0.027	2	123.2278	0.464	4	123.0449	0.452	7	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:4:4:	4:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C-4:C-4:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]CC)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(CH3)2	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]CC)(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(CH3)2{2|C<3>,3|C<4>,4|H<1>}	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){3|C<3>,3|H<1>,4|C<4>}	123.4010	0.000	1	123.4010	0.000	1	123.4010	0.000	1	123.4010	0.000	1	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	4:3:1:1:	3:2:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	N[5,5,6]-4:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:O[6]-2:C[6a]-3:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,5,6]HH)(C[6a]C[6a]H)	C[6](N[5,5,6]Ga[4x5,6,6]C[5]2)(C[6,6a]C[6,6a]C[6a])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(O[6]Ga[4x5,6,6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,5,6]HH)(C[6a]C[6a]H){1|Ga<6>,1|C<3>,2|C<4>,2|H<1>}	C[6](N[5,5,6]Ga[4x5,6,6]C[5]2)(C[6,6a]C[6,6a]C[6a])(H)2{2|C<3>,2|C<4>,2|O<2>,3|N<4>,5|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(O[6]Ga[4x5,6,6])(C[6a]C[6a]H){1|C<3>,1|O<2>,4|H<1>,4|N<4>}	124.4530	1.594	2	124.4530	2.540	2	121.8037	10.207	4	121.2018	2.639	17	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	4:3:1:1:	3:2:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	N[5,5,6]-4:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:O[6]-2:C[6a]-3:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,5,6]HH)(C[6a]C[6a]H)	C[6](N[5,5,6]In[5,6,6]C[5,5]C[5])(C[6,6a]C[6,6a]C[6a])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(O[6]In[5,6,6])(C[6a]C[6a]C)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,5,6]HH)(C[6a]C[6a]H){1|In<5>,1|C<3>,4|C<4>}	C[6](N[5,5,6]In[5,6,6]C[5,5]C[5])(C[6,6a]C[6,6a]C[6a])(H)2{1|Cl<1>,1|N<4>,2|C<3>,2|O<2>,3|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(O[6]In[5,6,6])(C[6a]C[6a]C){1|Cl<1>,1|C<3>,1|O<2>,2|N<4>,4|H<1>}	119.1545	0.090	2	119.1545	0.008	2	121.8037	10.207	4	121.2018	2.639	17	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	4:3:1:1:	3:2:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	N[5,6,6]-4:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:O[6]-2:C[6a]-3:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,6,6]HH)(C[6a]C[6a]H)	C[6](N[5,6,6]Nb[3,5,6,6]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(O[6]Nb[3,5,6,6])(C[6a]C[6a]C)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,6,6]HH)(C[6a]C[6a]H){1|Nb<7>,1|C<3>,4|C<4>}	C[6](N[5,6,6]Nb[3,5,6,6]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(H)2{1|Cl<1>,1|C<4>,1|N<4>,2|O<2>,5|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(O[6]Nb[3,5,6,6])(C[6a]C[6a]C){1|Cl<1>,1|O<2>,2|N<4>,3|C<3>,4|H<1>}	121.8070	0.057	2	121.8070	0.003	2	121.4482	0.597	6	121.2018	2.639	17	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	4:3:1:1:	3:2:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	N[5,6,6]-4:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:O[6]-2:C[6a]-3:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,6,6]HH)(C[6a]C[6a]H)	C[6](N[5,6,6]Nb[3,5,6,6]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(O[6]Nb[3,5,6,6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,6,6]HH)(C[6a]C[6a]H){1|Nb<7>,1|C<3>,2|C<4>,2|H<1>}	C[6](N[5,6,6]Nb[3,5,6,6]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(H)2{1|Cl<1>,1|C<4>,1|N<4>,2|O<2>,5|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(O[6]Nb[3,5,6,6])(C[6a]C[6a]H){1|Cl<1>,1|O<2>,2|N<4>,3|C<3>,4|H<1>}	121.2687	0.930	4	121.2687	0.865	4	121.4482	0.597	6	121.2018	2.639	17	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	4:3:1:1:	3:2:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	N[5,6]-4:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:O[6]-2:C[6a]-3:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,6]HH)(C[6a]C[6a]H)	C[6](N[5,6]Ga[3x5,6,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(O[6]Ga[3x5,6,6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,6]HH)(C[6a]C[6a]H){1|Ga<6>,1|C<3>,1|C<4>,3|H<1>}	C[6](N[5,6]Ga[3x5,6,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(H)2{1|C<4>,1|N<3>,2|C<3>,2|N<4>,2|O<2>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(O[6]Ga[3x5,6,6])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<2>,3|N<4>,4|H<1>}	121.0935	0.829	4	121.0935	0.687	4	120.6466	0.775	7	121.2018	2.639	17	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	4:3:1:1:	3:2:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	N[5,6]-4:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:O[6]-2:C[6a]-3:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,6]HH)(C[6a]C[6a]H)	C[6](N[5,6]In[5,6,6]C[5]C)(C[6,6a]C[6,6a]C[6a])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(O[6]In[5,6,6])(C[6a]C[6a]C)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,6]HH)(C[6a]C[6a]H){1|In<5>,1|C<3>,4|C<4>}	C[6](N[5,6]In[5,6,6]C[5]C)(C[6,6a]C[6,6a]C[6a])(H)2{1|Cl<1>,1|C<4>,1|N<4>,2|C<3>,2|O<2>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(O[6]In[5,6,6])(C[6a]C[6a]C){1|Cl<1>,1|C<3>,1|O<2>,2|N<4>,4|H<1>}	119.7200	0.260	2	119.7200	0.068	2	120.6466	0.775	7	121.2018	2.639	17	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	4:3:1:1:	3:2:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	N[5,6]-4:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:O[6]-2:C[6a]-3:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,6]HH)(C[6a]C[6a]H)	C[6](N[5,6]Nb[3,5,6]C[5]C)(C[6,6a]C[6,6a]C[6a])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(O[6]Nb[3,5,6])(C[6a]C[6a]C)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,6]HH)(C[6a]C[6a]H){1|Nb<7>,1|C<3>,4|C<4>}	C[6](N[5,6]Nb[3,5,6]C[5]C)(C[6,6a]C[6,6a]C[6a])(H)2{2|Cl<1>,1|C<4>,1|N<4>,1|O<2>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(O[6]Nb[3,5,6])(C[6a]C[6a]C){2|Cl<1>,2|N<4>,3|C<3>,4|H<1>}	120.7120	0.000	1	120.7120	0.000	1	120.6466	0.775	7	121.2018	2.639	17	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	4:3:1:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[3x6]-4:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[3x6]HH)(C[6a]C[6a]O)	C[6](C[3x6]C[3x6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[3x6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[3x6]HH)(C[6a]C[6a]O){1|H<1>,2|C<3>,3|C<4>}	C[6](C[3x6]C[3x6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(H)2{2|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[3x6]){1|C<3>,2|H<1>,2|O<2>,3|C<4>}	115.9640	1.566	2	115.9640	2.451	2	115.9640	2.451	2	117.4136	1.765	9	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	4:3:1:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[5,6]-4:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]HH)(C[6a]C[6a]H)	C[6](C[5,6]C[5,5]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|H<1>,2|C<3>,3|C<4>}	C[6](C[5,6]C[5,5]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(H)2{1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	116.9930	0.000	1	117.2440	0.069	5	117.2440	0.069	5	117.4136	1.765	9	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	4:3:1:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[5,6]-4:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]HH)(C[6a]C[6a]H)	C[6](C[5,6]C[5,5]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]HH)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,5]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(H)2{1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	117.3067	0.256	4	117.2440	0.069	5	117.2440	0.069	5	117.4136	1.765	9	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	4:3:1:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	N[5,6]-4:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,6]HH)(C[6a]C[6a]H)	C[6](N[5,6]In[5,6]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]In[5,6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,6]HH)(C[6a]C[6a]H){1|In<5>,1|C<3>,1|H<1>,3|C<4>}	C[6](N[5,6]In[5,6]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(H)2{2|Cl<1>,1|N<4>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]In[5,6]){2|Cl<1>,1|C<3>,2|N<4>,4|H<1>}	119.2870	0.171	2	119.2870	0.029	2	119.2870	0.029	2	117.4136	1.765	9	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	4:3:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[4,6]-4:C[6,6a]-3:H-1:H-1:	N[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[4,6]HH)(C[6a]C[6a]H)	C[6](C[4,6]C[4,5,6]C[4]H)(C[6,6a]C[6,6a]C[6a])(H)2	C[6,6a](N[5,6]C[4,5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]C)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[4,6]HH)(C[6a]C[6a]H){2|C<3>,2|H<1>,3|C<4>}	C[6](C[4,6]C[4,5,6]C[4]H)(C[6,6a]C[6,6a]C[6a])(H)2{1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6,6a](N[5,6]C[4,5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]C){1|C<3>,1|O<1>,3|C<4>,5|H<1>}	121.5055	0.247	2	121.5055	0.061	2	121.5055	0.061	2	119.8200	2.301	30	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	4:3:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[4x6]-4:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[4x6]HH)(C[6a]C[6a]H)	C[6](C[4x6]C[3x6]C[6,6]O[6,6])(C[6,6a]C[6,6a]C[6a])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[3x6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[4x6]HH)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[6](C[4x6]C[3x6]C[6,6]O[6,6])(C[6,6a]C[6,6a]C[6a])(H)2{3|C<3>,3|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[3x6]O)(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	121.2180	0.000	1	121.2180	0.000	1	121.2180	0.000	1	119.8200	2.301	30	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	4:3:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[5,6,6]-4:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6,6]HH)(C[6a]C[6a]H)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6a]C[6,6a]C[6a])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[5,6,6]S)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6,6]HH)(C[6a]C[6a]H){1|C<3>,1|S<4>,2|C<4>,3|H<1>}	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6a]C[6,6a]C[6a])(H)2{1|C<4>,1|N<3>,1|O<2>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[5,6,6]S)(C[6a]C[6a]H){1|C<3>,2|C<4>,5|H<1>}	118.2720	0.000	1	118.2720	0.000	1	118.2720	0.000	1	119.8200	2.301	30	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	4:3:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[5,6]-4:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H)	C[6](C[5,6]C[5,6,6a]C[5]C)(C[6,6a]C[6,6a]C[6a])(H)2	C[6,6a](C[6,6a]C[5,6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|H<1>,1|O<2>,5|C<3>}	C[6](C[5,6]C[5,6,6a]C[5]C)(C[6,6a]C[6,6a]C[6a])(H)2{1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[6,6a](C[6,6a]C[5,6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	120.8500	0.000	1	120.8500	0.000	1	119.4075	0.933	4	119.8200	2.301	30	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	4:3:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[5,6]-4:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6,6a]C[6,6a]C[6a])(H)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6,6a]C[6,6a]C[6a])(H)2{1|O<2>,3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,5|H<1>}	118.8850	0.119	2	118.9267	0.012	3	119.4075	0.933	4	119.8200	2.301	30	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	4:3:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[5,6]-4:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6,6a]C[6,6a]C[6a])(H)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6,6a]C[6,6a]C[6a])(H)2{1|H<1>,1|N<3>,1|O<1>,6|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,5|H<1>}	119.0100	0.000	1	118.9267	0.012	3	119.4075	0.933	4	119.8200	2.301	30	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	4:3:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[5,6]-4:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]C[5]O[6])(C[6,6a]C[6,6a]C[6a])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Br)(C[6]O[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|Br<1>,1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6](C[5,6]C[5,6a]C[5]O[6])(C[6,6a]C[6,6a]C[6a])(H)2{1|H<1>,1|N<2>,1|O<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Br)(C[6]O[6]O){1|C<3>,1|C<4>,4|H<1>}	117.8740	0.000	1	117.8740	0.000	1	118.4710	0.713	2	119.8200	2.301	30	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	4:3:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[5,6]-4:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]C[5]O[6])(C[6,6a]C[6,6a]C[6a])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6a]C[5]O[6])(C[6,6a]C[6,6a]C[6a])(H)2{1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]O){1|C<3>,1|C<4>,4|H<1>}	119.0680	0.000	1	119.0680	0.000	1	118.4710	0.713	2	119.8200	2.301	30	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	4:3:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[5,6]-4:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]HH)(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6,6a]C[6,6a]C[6a])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]S)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6,6a]C[6,6a]C[6a])(H)2{2|H<1>,2|N<3>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]S){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	119.4490	0.000	1	119.4490	0.000	1	119.4490	0.000	1	119.8200	2.301	30	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	4:3:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[5,6]-4:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]C[5,6]C[5])(C[6,6a]C[6,6a]C[6a])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6a]C[5,6]C[5])(C[6,6a]C[6,6a]C[6a])(H)2{1|C<4>,1|O<1>,2|H<1>,2|N<3>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H){1|C<3>,3|C<4>,7|H<1>}	120.0270	0.000	1	120.3820	0.252	2	120.3820	0.252	2	119.8200	2.301	30	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	4:3:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[5,6]-4:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:N[5,6]-3:C[6a]-3:	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]C[5,6]C[5])(C[6,6a]C[6,6a]C[6a])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6a]C[5,6]C[5])(C[6,6a]C[6,6a]C[6a])(H)2{1|N<2>,1|N<3>,2|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(C[6a]C[6a]H){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	120.7370	0.000	1	120.3820	0.252	2	120.3820	0.252	2	119.8200	2.301	30	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	4:3:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6]-4:C[6,6a]-3:H-1:H-1:	C[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6,6a]C[6a])(H)2	C[6,6a](C[5,6]C[5,6,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6,6a]C[6a])(H)2{1|N<3>,1|O<2>,3|C<3>,4|H<1>}	C[6,6a](C[5,6]C[5,6,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,5|H<1>}	123.0985	0.076	2	123.0985	0.006	2	123.0985	0.006	2	119.8200	2.301	30	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	4:3:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6]-4:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6]C[6,6,6a]N[6]H)(C[6,6a]C[6,6a]C[6a])(H)2	C[6,6a](C[6,6a]C[6,6,6a]C[5,6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	C[6](C[6,6]C[6,6,6a]N[6]H)(C[6,6a]C[6,6a]C[6a])(H)2{1|C<4>,1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6,6,6a]C[5,6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	119.5190	0.000	1	119.5190	0.000	1	119.3143	0.865	6	119.8200	2.301	30	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	4:3:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6]-4:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6]C[6,6,6a]N[6]H)(C[6,6a]C[6,6a]C[6a])(H)2	C[6,6a](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	C[6](C[6,6]C[6,6,6a]N[6]H)(C[6,6a]C[6,6a]C[6a])(H)2{1|C<4>,1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	119.4620	0.000	1	119.7255	0.139	2	119.3143	0.865	6	119.8200	2.301	30	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	4:3:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6]-4:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6]C[6,6,6a]N[6]H)(C[6,6a]C[6,6a]C[6a])(H)2	C[6,6a](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|N<4>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6,6]C[6,6,6a]N[6]H)(C[6,6a]C[6,6a]C[6a])(H)2{2|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,2|O<2>,3|C<3>,3|H<1>}	119.9890	0.000	1	119.7255	0.139	2	119.3143	0.865	6	119.8200	2.301	30	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	4:3:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6]-4:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6]C[6,6,6a]N[6]H)(C[6,6a]C[6,6a]C[6a])(H)2	C[6,6a](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6,6]C[6,6,6a]N[6]H)(C[6,6a]C[6,6a]C[6a])(H)2{1|C<4>,1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	117.5440	0.000	1	117.5440	0.000	1	119.3143	0.865	6	119.8200	2.301	30	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	4:3:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6]-4:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]O)	C[6](C[6,6]C[6,6,6a]N[6]H)(C[6,6a]C[6,6a]C[6a])(H)2	C[6,6a](C[6,6a]C[6,6,6a]C[5,6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]O){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6,6]C[6,6,6a]N[6]H)(C[6,6a]C[6,6a]C[6a])(H)2{1|O<2>,2|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[6,6,6a]C[5,6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,2|O<2>,3|C<3>,3|H<1>}	119.6860	0.631	2	119.6860	0.398	2	119.3143	0.865	6	119.8200	2.301	30	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	4:3:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6]-4:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]C[6a])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[6,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]C[6a])(H)2{1|C<4>,1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[6,6]O)(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	118.5063	0.332	3	118.5063	0.110	3	118.4575	0.158	6	119.8200	2.301	30	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	4:3:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6]-4:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]C[6a])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[6,6]O)(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]C[6a])(H)2{1|C<4>,1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[6,6]O)(C[6a]C[6a]O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	118.4087	0.526	3	118.4087	0.277	3	118.4575	0.158	6	119.8200	2.301	30	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	4:3:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	N[6,6]-4:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]N[6,6]HH)(C[6a]C[6a]H)	C[6](N[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]N[6,6]HH)(C[6a]C[6a]H){1|Br<1>,2|C<3>,2|C<4>,2|H<1>}	C[6](N[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(H)2{1|N<3>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){1|N<4>,2|C<3>,8|H<1>}	121.4980	0.000	1	121.4957	0.031	3	121.4957	0.031	3	119.8200	2.301	30	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	4:3:1:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	N[6,6]-4:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]N[6,6]HH)(C[6a]C[6a]H)	C[6](N[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]N[6,6]HH)(C[6a]C[6a]H){2|C<3>,2|H<1>,3|C<4>}	C[6](N[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(H)2{1|N<3>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]C[6])(C[6a]C[6a]H){1|N<4>,2|C<3>,8|H<1>}	121.4945	0.248	2	121.4957	0.031	3	121.4957	0.031	3	119.8200	2.301	30	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	4:3:1:1:	3:3:4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[5,6]-4:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]N)	C[6](C[5,6]C[5,6a]C[5]N[6])(C[6,6a]C[6,6a]C[6a])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]N){1|N<3>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5,6a]C[5]N[6])(C[6,6a]C[6,6a]C[6a])(H)2{1|C<4>,1|O<1>,2|N<3>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HO){1|C<4>,2|C<3>,2|H<1>,2|N<3>}	114.5690	0.000	1	114.5690	0.000	1	114.5690	0.000	1	117.3636	5.626	5	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	4:3:1:1:	3:3:4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6]-4:C[6,6a]-3:H-1:H-1:	C[5,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[5,6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]C[6a])(H)2	C[6,6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6a]C[6])(C[6]N[6,6]HH)	C[6,6a](C[6,6a]C[5,6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]C[6a])(H)2{1|H<1>,2|C<4>,4|C<3>}	C[6,6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6a]C[6])(C[6]N[6,6]HH){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	118.5855	0.988	2	118.5855	0.976	2	119.0067	1.020	3	117.3636	5.626	5	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	4:3:1:1:	3:3:4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6]-4:C[6,6a]-3:H-1:H-1:	C[5,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[5,6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6]C[6,6a]N[6,6]O)(C[6,6a]C[6,6a]C[6a])(H)2	C[6,6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6a]C[6])(C[6]N[6,6]HH)	C[6,6a](C[6,6a]C[5,6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|N<4>,2|C<3>,2|O<2>,3|H<1>}	C[6](C[6,6]C[6,6a]N[6,6]O)(C[6,6a]C[6,6a]C[6a])(H)2{1|H<1>,3|C<4>,4|C<3>}	C[6,6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6a]C[6])(C[6]N[6,6]HH){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	119.8490	0.000	1	119.8490	0.000	1	119.0067	1.020	3	117.3636	5.626	5	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	4:3:1:1:	3:3:4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6]-4:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6]C[6,6a]C[6]O[6])(C[6,6a]C[6,6a]C[6a])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|O<2>,3|C<3>,4|H<1>}	C[6](C[6,6]C[6,6a]C[6]O[6])(C[6,6a]C[6,6a]C[6a])(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HH){1|C<3>,1|C<4>,4|H<1>}	115.2290	0.000	1	115.2290	0.000	1	115.2290	0.000	1	117.3636	5.626	5	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	4:3:1:1:	3:4:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[3x6]-4:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[3x6]HH)(C[6a]C[6a]H)	C[6](C[3x6]C[4x6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[4x6]HH)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[3x6]HH)(C[6a]C[6a]H){1|C<3>,2|C<4>,5|H<1>}	C[6](C[3x6]C[4x6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(H)2{1|N<2>,2|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[4x6]HH)(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,4|H<1>}	121.4650	0.000	1	121.4650	0.000	1	121.4650	0.000	1	118.9206	6.154	25	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	4:3:1:1:	3:4:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[4x6]-4:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[4x6]HH)(C[6a]C[6a]H)	C[6](C[4x6]C[3x6]C[6,6]N[6,6])(C[6,6a]C[6,6a]C[6a])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[3x6]HH)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[4x6]HH)(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,4|H<1>}	C[6](C[4x6]C[3x6]C[6,6]N[6,6])(C[6,6a]C[6,6a]C[6a])(H)2{1|N<3>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[3x6]HH)(C[6a]C[6a]H){1|C<3>,2|C<4>,5|H<1>}	121.6840	0.000	1	121.6840	0.000	1	121.6840	0.000	1	118.9206	6.154	25	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	4:3:1:1:	3:4:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[5,3x6]-4:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,3x6]HH)(C[6a]C[6a]H)	C[6](C[5,3x6]C[5,6,6a]2C[5,3x6])(C[6,6a]C[6,6a]C[6a])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,3x6]HH)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,3x6]HH)(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	C[6](C[5,3x6]C[5,6,6a]2C[5,3x6])(C[6,6a]C[6,6a]C[6a])(H)2{1|C<4>,1|H<1>,8|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,3x6]HH)(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	115.3277	0.737	6	115.3277	0.544	6	115.5591	0.581	8	118.9206	6.154	25	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	4:3:1:1:	3:4:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[5,3x6]-4:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,3x6]HH)(C[6a]C[6a]H)	C[6](C[5,3x6]C[5,6,6a]C[5,3x6]C[5,6,6])(C[6,6a]C[6,6a]C[6a])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,3x6]HH)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,3x6]HH)(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	C[6](C[5,3x6]C[5,6,6a]C[5,3x6]C[5,6,6])(C[6,6a]C[6,6a]C[6a])(H)2{1|H<1>,2|C<4>,7|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,3x6]HH)(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	116.2535	0.255	2	116.2535	0.065	2	115.5591	0.581	8	118.9206	6.154	25	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	4:3:1:1:	3:4:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[5,6]-4:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]N[5,6]C)(C[6,6a]C[6,6a]C[6a])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5,6]HH)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|N<3>,3|C<3>,4|H<1>}	C[6](C[5,6]C[5,6a]N[5,6]C)(C[6,6a]C[6,6a]C[6a])(H)2{1|C<4>,1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5,6]HH)(C[6a]C[6a]H){1|C<4>,2|C<3>,4|H<1>}	120.2610	0.000	1	120.2610	0.000	1	120.5470	0.164	2	118.9206	6.154	25	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	4:3:1:1:	3:4:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[5,6]-4:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]N[5,6]H)(C[6,6a]C[6,6a]C[6a])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5,6]HH)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|N<3>,2|C<3>,5|H<1>}	C[6](C[5,6]C[5,6a]N[5,6]H)(C[6,6a]C[6,6a]C[6a])(H)2{1|C<4>,1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5,6]HH)(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	120.8330	0.000	1	120.8330	0.000	1	120.5470	0.164	2	118.9206	6.154	25	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	4:3:1:1:	3:4:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6]-4:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]Cl)	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]C[6a])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[6,6]HH)(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]Cl){1|N<3>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]C[6a])(H)2{1|Cl<1>,2|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[6,6]HH)(C[6a]C[6a]O){1|Cl<1>,1|C<3>,1|O<2>,2|C<4>,2|H<1>}	120.2470	0.000	1	120.2470	0.000	1	120.3308	0.652	13	118.9206	6.154	25	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	4:3:1:1:	3:4:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6]-4:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6]C[5,6]N[6,6]H)(C[6,6a]C[6,6a]C[6a])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[6,6]HH)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[6](C[6,6]C[5,6]N[6,6]H)(C[6,6a]C[6,6a]C[6a])(H)2{1|Si<4>,1|H<1>,2|C<3>,4|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[6,6]HH)(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	120.5480	0.000	1	120.5480	0.000	1	120.3308	0.652	13	118.9206	6.154	25	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	4:3:1:1:	3:4:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6]-4:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6]C[6,6]C[6a]C[6])(C[6,6a]C[6,6a]C[6a])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6a]C[6])(C[6,6a]C[6,6a]C[6a])(H)2{3|C<4>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<3>,2|C<4>,5|H<1>}	122.0650	0.000	1	122.0650	0.000	1	120.3308	0.652	13	118.9206	6.154	25	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	4:3:1:1:	3:4:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6]-4:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]C[6a])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[6,6]HH)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]C[6a])(H)2{1|H<1>,2|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[6,6]HH)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	120.7220	0.165	3	120.7220	0.027	3	120.3308	0.652	13	118.9206	6.154	25	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	4:3:1:1:	3:4:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6]-4:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]C[6a])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[6,6]HH)(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]C[6a])(H)2{1|H<1>,2|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[6,6]HH)(C[6a]C[6a]O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	119.9253	0.785	3	119.8963	0.488	7	120.3308	0.652	13	118.9206	6.154	25	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	4:3:1:1:	3:4:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6]-4:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]C[6a])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[6,6]HH)(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|N<4>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]C[6a])(H)2{2|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[6,6]HH)(C[6a]C[6a]O){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	119.8745	0.751	4	119.8963	0.488	7	120.3308	0.652	13	118.9206	6.154	25	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	4:3:1:1:	4:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[3x6]-4:C[6,6a]-3:H-1:H-1:	C[3x6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[3x6]C[6a])(C[6]C[3x6]HH)(C[6a]C[6a]O)	C[6](C[3x6]C[4x6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(H)2	C[6,6a](C[3x6]C[4x6]C[6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[3x6]C[6a])(C[6]C[3x6]HH)(C[6a]C[6a]O){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[3x6]C[4x6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(H)2{1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[3x6]C[4x6]C[6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	121.9800	0.161	2	121.9800	0.026	2	121.9800	0.026	2	120.9036	2.256	17	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	4:3:1:1:	4:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[5,6,6]-4:C[6,6a]-3:H-1:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6,6]HH)(C[6a]C[6a]O)	C[6](C[5,6,6]C[5,6]O[5,6]C[6])(C[6,6a]C[6,6a]C[6a])(H)2	C[6,6a](C[5,6]O[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6,6]HH)(C[6a]C[6a]O){1|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[6](C[5,6,6]C[5,6]O[5,6]C[6])(C[6,6a]C[6,6a]C[6a])(H)2{1|O<2>,2|C<3>,3|H<1>,4|C<4>}	C[6,6a](C[5,6]O[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,2|O<2>,3|C<4>,3|H<1>}	120.6100	0.000	1	120.6100	0.000	1	120.6100	0.000	1	120.9036	2.256	17	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	4:3:1:1:	4:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[5,6]-4:C[6,6a]-3:Cl-1:Cl-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6]Cl2)(C[6a]C[6a]H)	C[6](C[5,6]O[5,6]C[6a]C[5])(C[6,6a]C[6,6a]C[6a])(Cl)2	C[6,6a](C[5,6]O[5,6]C[5]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6]Cl2)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6](C[5,6]O[5,6]C[6a]C[5])(C[6,6a]C[6,6a]C[6a])(Cl)2{1|C<4>,1|H<1>,6|C<3>}	C[6,6a](C[5,6]O[5,6]C[5]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|Cl<1>,1|C<4>,2|C<3>,3|H<1>}	120.3295	0.121	2	120.3295	0.015	2	120.3295	0.015	2	120.9036	2.256	17	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	4:3:1:1:	4:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[5,6]-4:C[6,6a]-3:H-1:H-1:	C[5,6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(H)2	C[6,6a](C[5,6,6]C[5,6,6]C[5]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|C<3>,3|H<1>,4|C<4>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(H)2{2|C<3>,3|C<4>,4|H<1>}	C[6,6a](C[5,6,6]C[5,6,6]C[5]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|Br<1>,1|C<3>,4|C<4>,8|H<1>}	121.1260	0.000	1	121.1260	0.000	1	121.7450	0.766	2	120.9036	2.256	17	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	4:3:1:1:	4:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[5,6]-4:C[6,6a]-3:H-1:H-1:	C[5,6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H)	C[6](C[5,6]N[5,6,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(H)2	C[6,6a](C[5,6,6]N[5,6,6]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]N[5,6,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(H)2{1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6,6a](C[5,6,6]N[5,6,6]C[5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,3|C<3>,3|C<4>,5|H<1>}	122.3640	0.000	1	122.3640	0.000	1	121.7450	0.766	2	120.9036	2.256	17	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	4:3:1:1:	4:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[5,6]-4:C[6,6a]-3:H-1:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H)	C[6](C[5,6]N[5,5,6]C[5,5]H)(C[6,6a]C[6,6a]C[6a])(H)2	C[6,6a](C[5,6]N[5,5,6]N[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|N<3>,4|H<1>}	C[6](C[5,6]N[5,5,6]C[5,5]H)(C[6,6a]C[6,6a]C[6a])(H)2{1|H<1>,3|C<4>,4|C<3>}	C[6,6a](C[5,6]N[5,5,6]N[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,5|H<1>}	120.0720	0.000	1	120.0720	0.000	1	120.0720	0.000	1	120.9036	2.256	17	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	4:3:1:1:	4:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[5,6]-4:C[6,6a]-3:H-1:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(H)2	C[6,6a](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(H)2{1|N<3>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|Cl<1>,1|C<3>,3|C<4>,6|H<1>}	122.2050	0.000	1	122.2050	0.000	1	119.6000	6.081	3	120.9036	2.256	17	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	4:3:1:1:	4:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[5,6]-4:C[6,6a]-3:H-1:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(H)2	C[6,6a](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(H)2{1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C[6,6a](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|N<3>,2|C<3>,2|C<4>,6|H<1>}	117.3020	0.000	1	117.3020	0.000	1	119.6000	6.081	3	120.9036	2.256	17	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	4:3:1:1:	4:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[5,6]-4:C[6,6a]-3:H-1:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[5,6]HH)(C[6a]O[6a]C)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6,6a]C[6,6a]C[6a])(H)2	C[6,6a](C[6,6]C[5,6,6]C[3,6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[5,6]HH)(C[6a]O[6a]C){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6,6]O[5]H)(C[6,6a]C[6,6a]C[6a])(H)2{1|H<1>,1|O<2>,2|C<3>,3|C<4>}	C[6,6a](C[6,6]C[5,6,6]C[3,6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,2|O<2>,4|C<4>,4|H<1>}	119.2930	0.000	1	119.2930	0.000	1	119.6000	6.081	3	120.9036	2.256	17	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	4:3:1:1:	4:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6]-4:C[6,6a]-3:H-1:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]C[6a])(H)2	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]C[6a])(H)2{1|H<1>,2|C<4>,4|C<3>}	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	120.4675	0.894	2	120.4675	0.800	2	120.3953	0.357	4	120.9036	2.256	17	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	4:3:1:1:	4:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6]-4:C[6,6a]-3:H-1:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6]C[6,6a]O[6,6]C)(C[6,6a]C[6,6a]C[6a])(H)2	C[6,6a](C[6,6]O[6,6]O[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6](C[6,6]C[6,6a]O[6,6]C)(C[6,6a]C[6,6a]C[6a])(H)2{1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[6,6]O[6,6]O[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,2|C<3>,4|H<1>}	120.6770	0.000	1	120.6770	0.000	1	120.3953	0.357	4	120.9036	2.256	17	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	4:3:1:1:	4:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6]-4:C[6,6a]-3:H-1:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6](C[6,6]O[6,6]C[3]C[6])(C[6,6a]C[6,6a]C[6a])(H)2	C[6,6a](C[6,6]O[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6]O[6,6]C[3]C[6])(C[6,6a]C[6,6a]C[6a])(H)2{3|C<3>,3|C<4>,3|H<1>}	C[6,6a](C[6,6]O[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,2|C<3>,6|H<1>}	119.9690	0.000	1	119.9690	0.000	1	120.3953	0.357	4	120.9036	2.256	17	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	4:3:1:1:	4:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	N[5,6]-4:C[6,6a]-3:H-1:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]N[5,6]HH)(C[6a]C[6a]H)	C[6](N[5,6]C[5,6,6]C[5]O)(C[6,6a]C[6,6a]C[6a])(H)2	C[6,6a](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]N[5,6]HH)(C[6a]C[6a]H){1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6](N[5,6]C[5,6,6]C[5]O)(C[6,6a]C[6,6a]C[6a])(H)2{2|C<4>,3|C<3>,4|H<1>}	C[6,6a](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<4>,2|C<3>,2|O<2>,5|H<1>}	123.8540	0.000	1	123.8540	0.000	1	123.8540	0.000	1	120.9036	2.256	17	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	4:3:1:1:	4:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	Si[6]-4:C[6,6a]-3:H-1:H-1:	C[5,6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6]Si[6]HH)(C[6a]C[6a]H)	C[6](Si[6]C[5,6,6]C[6a]2)(C[6,6a]C[6,6a]C[6a])(H)2	C[6,6a](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6]Si[6]HH)(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	C[6](Si[6]C[5,6,6]C[6a]2)(C[6,6a]C[6,6a]C[6a])(H)2{2|C<4>,2|H<1>,6|C<3>}	C[6,6a](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|Si<4>,1|C<3>,3|C<4>,6|H<1>}	122.3350	0.000	1	122.3350	0.000	1	122.3350	0.000	1	120.9036	2.256	17	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	4:3:2:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[5,6]-4:C[6,6a]-3:O-2:H-1:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]HO)(C[6a]C[6a]H)	C[6](C[5,6]C[5,6]C[6a]C[5])(C[6,6a]C[6,6a]C[6a])(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]HO)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6]C[6a]C[5])(C[6,6a]C[6,6a]C[6a])(OH)(H){1|N<2>,3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	118.7400	0.538	3	118.7400	0.289	3	118.7400	0.289	3	118.5000	0.423	4	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	4:3:2:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6]-4:C[6,6a]-3:O-2:H-1:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6]HO)(C[6a]C[6a]H)	C[6](C[6,6]C[6,6]C[6a]C[6])(C[6,6a]C[6,6a]C[6a])(OC)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6]HO)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6]C[6,6]C[6a]C[6])(C[6,6a]C[6,6a]C[6a])(OC)(H){1|N<2>,2|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	117.7800	0.000	1	117.7800	0.000	1	117.7800	0.000	1	118.5000	0.423	4	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	4:3:2:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[3,6]-4:C[6,6a]-3:O-2:H-1:	N[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]C[3,6]HO)(C[6a]C[6a]H)	C[6](C[3,6]C[3,6,6]C[6a]O[3])(C[6,6a]C[6,6a]C[6a])(OH)(H)	C[6,6a](N[6,6]C[3,6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]C[3,6]HO)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[3,6]C[3,6,6]C[6a]O[3])(C[6,6a]C[6,6a]C[6a])(OH)(H){1|H<1>,1|N<3>,5|C<3>}	C[6,6a](N[6,6]C[3,6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,2|O<2>,3|H<1>}	121.4573	0.326	3	121.4573	0.107	3	121.4573	0.107	3	120.2680	6.604	16	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	4:3:2:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[3x6]-4:C[6,6a]-3:O-2:H-1:	N[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[3x6]HO)(C[6a]C[6a]H)	C[6](C[3x6]C[5,4x6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(OH)(H)	C[6,6a](N[5,6]C[5,4x6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[3x6]HO)(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	C[6](C[3x6]C[5,4x6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(OH)(H){1|C<4>,2|N<3>,3|C<3>,3|H<1>}	C[6,6a](N[5,6]C[5,4x6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	122.9698	0.524	4	123.0842	0.272	5	123.0842	0.272	5	120.2680	6.604	16	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	4:3:2:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[3x6]-4:C[6,6a]-3:O-2:H-1:	N[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[3x6]HO)(C[6a]C[6a]H)	C[6](C[3x6]C[5,4x6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(OH)(H)	C[6,6a](N[5,6]C[5,4x6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[3x6]HO)(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	C[6](C[3x6]C[5,4x6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(OH)(H){2|C<3>,2|C<4>,2|N<3>,3|H<1>}	C[6,6a](N[5,6]C[5,4x6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	123.5420	0.000	1	123.0842	0.272	5	123.0842	0.272	5	120.2680	6.604	16	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	4:3:2:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[5,6]-4:C[6,6a]-3:O-2:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HO)(C[6a]C[6a]H)	C[6](C[5,6]C[5,6]C[6a]C[5])(C[6,6a]C[6,6a]C[6a])(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HO)(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	C[6](C[5,6]C[5,6]C[6a]C[5])(C[6,6a]C[6,6a]C[6a])(OH)(H){1|H<1>,8|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	121.3680	0.000	1	121.3680	0.000	1	121.3680	0.000	1	120.2680	6.604	16	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	4:3:2:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[5,6]-4:C[6,6a]-3:O-2:H-1:	N[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[5,6]HO)(C[6a]C[6a]H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(OH)(H)	C[6,6a](N[5,6]C[5,5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[5,6]HO)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(OH)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[6,6a](N[5,6]C[5,5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|O<2>,3|C<4>,3|H<1>}	118.2045	0.100	2	117.8594	0.183	5	117.8594	0.183	5	120.2680	6.604	16	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	4:3:2:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[5,6]-4:C[6,6a]-3:O-2:H-1:	N[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[5,6]HO)(C[6a]C[6a]H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(OH)(H)	C[6,6a](N[5,6]C[5,5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[5,6]HO)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(OH)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[6,6a](N[5,6]C[5,5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|H<1>,2|O<2>,3|C<4>}	117.7790	0.000	1	117.8594	0.183	5	117.8594	0.183	5	120.2680	6.604	16	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	4:3:2:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[5,6]-4:C[6,6a]-3:O-2:H-1:	N[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[5,6]HO)(C[6a]C[6a]H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(OH)(H)	C[6,6a](N[5,6]C[5,5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[5,6]HO)(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(OH)(H){2|N<3>,3|C<3>,4|H<1>}	C[6,6a](N[5,6]C[5,5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	117.5545	0.540	2	117.8594	0.183	5	117.8594	0.183	5	120.2680	6.604	16	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	4:3:2:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[5,6]-4:C[6,6a]-3:O-2:H-1:	N[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]C[5,6]HO)(C[6a]C[6a]H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(OH)(H)	C[6,6a](N[6,6]C[5,6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]C[5,6]HO)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(OH)(H){1|N<3>,1|O<2>,2|H<1>,4|C<3>}	C[6,6a](N[6,6]C[5,6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,2|O<2>,3|H<1>}	116.4540	0.000	1	116.4540	0.000	1	116.9150	0.425	2	120.2680	6.604	16	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	4:3:2:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[5,6]-4:C[6,6a]-3:O-2:H-1:	N[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]C[5,6]HO)(C[6a]C[6a]H)	C[6](C[5,6]C[5,6,6]C[6a]O[5])(C[6,6a]C[6,6a]C[6a])(OH)(H)	C[6,6a](N[6,6]C[5,6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]C[5,6]HO)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6,6]C[6a]O[5])(C[6,6a]C[6,6a]C[6a])(OH)(H){1|H<1>,2|N<3>,6|C<3>}	C[6,6a](N[6,6]C[5,6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	117.3760	0.000	1	117.3760	0.000	1	116.9150	0.425	2	120.2680	6.604	16	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	4:3:2:1:	3:3:4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[5,6]-4:C[6,6a]-3:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HO)(C[6a]C[6a]H)	C[6](C[5,6]C[5,6]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HO)(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(OH)(H){1|O<2>,3|C<4>,4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	116.9050	0.000	1	116.9050	0.000	1	116.5060	0.642	4	116.8576	1.100	5	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	4:3:2:1:	3:3:4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[5,6]-4:C[6,6a]-3:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HO)(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HO)(C[6a]C[6a]H){1|C<4>,2|H<1>,2|N<3>,3|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(OH)(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(C[6]C[6]HH){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	116.5320	1.250	2	116.5320	1.563	2	116.5060	0.642	4	116.8576	1.100	5	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	4:3:2:1:	3:3:4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[5,6]-4:C[6,6a]-3:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HO)(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(OSi)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HO)(C[6a]C[6a]H){1|C<4>,2|H<1>,2|N<3>,3|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(OSi)(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(C[6]C[6]HH){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	116.0550	0.000	1	116.0550	0.000	1	116.5060	0.642	4	116.8576	1.100	5	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	4:3:2:1:	3:3:4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6]-4:C[6,6a]-3:S-2:H-1:	C[5,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[5,6a]C[6])(C[6]C[6,6]HS)(C[6a]C[6a]O)	C[6](C[6,6]C[6,6]N[6,6]H)(C[6,6a]C[6,6a]C[6a])(SC)(H)	C[6,6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6a]C[6])(C[6]N[6,6]CH)	C[6,6a](C[6,6a]C[5,6a]C[6])(C[6]C[6,6]HS)(C[6a]C[6a]O){1|C<3>,1|N<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]N[6,6]H)(C[6,6a]C[6,6a]C[6a])(SC)(H){1|H<1>,1|N<3>,1|O<2>,2|C<4>,3|C<3>}	C[6,6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6a]C[6])(C[6]N[6,6]CH){1|C<3>,1|H<1>,1|S<2>,2|O<2>,3|C<4>}	118.2640	0.000	1	118.2640	0.000	1	118.2640	0.000	1	116.8576	1.100	5	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	4:3:2:1:	3:4:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[5,6,6]-4:C[6,6a]-3:O-2:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6,6]HO)(C[6a]C[6a,6a]H)	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(OC)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6,6]HO)(C[6a]C[6a,6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6,6]HO)(C[6a]C[6a,6a]H){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(OC)(H){4|C<3>,4|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6,6]HO)(C[6a]C[6a,6a]H){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	115.4685	0.122	2	115.4685	0.015	2	115.4685	0.015	2	117.3393	10.508	3	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	4:3:2:1:	3:4:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[5,6]-4:C[6,6a]-3:O-2:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HO)(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]N[5,6]O)(C[6,6a]C[6,6a]C[6a])(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5,6]HH)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HO)(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[5,6]C[5,6a]N[5,6]O)(C[6,6a]C[6,6a]C[6a])(OH)(H){1|C<4>,1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5,6]HH)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	121.0810	0.000	1	121.0810	0.000	1	121.0810	0.000	1	117.3393	10.508	3	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	4:3:2:1:	4:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[3x6]-4:C[6,6a]-3:O-2:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[3x6]HO)(C[6a]C[6a]H)	C[6](C[3x6]C[5,3x6]C[3x6]H)(C[6,6a]C[6,6a]C[6a])(OC)(H)	C[6,6a](C[5,6]C[5,3x6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[3x6]HO)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[3x6]C[5,3x6]C[3x6]H)(C[6,6a]C[6,6a]C[6a])(OC)(H){2|C<3>,3|H<1>,4|C<4>}	C[6,6a](C[5,6]C[5,3x6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	117.3750	0.000	1	117.3750	0.000	1	118.1140	1.092	2	117.9633	0.762	4	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	4:3:2:1:	4:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[3x6]-4:C[6,6a]-3:O-2:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[3x6]HO)(C[6a]C[6a]H)	C[6](C[3x6]C[5,3x6]C[3x6]H)(C[6,6a]C[6,6a]C[6a])(OH)(H)	C[6,6a](C[5,6]C[5,3x6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[3x6]HO)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[3x6]C[5,3x6]C[3x6]H)(C[6,6a]C[6,6a]C[6a])(OH)(H){2|C<3>,3|H<1>,4|C<4>}	C[6,6a](C[5,6]C[5,3x6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	118.8530	0.000	1	118.8530	0.000	1	118.1140	1.092	2	117.9633	0.762	4	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	4:3:2:1:	4:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[5,6]-4:C[6,6a]-3:O-2:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[5,6]HO)(C[6a]C[6a]H)	C[6](C[5,6]C[6,6]C[5]O[5])(C[6,6a]C[6,6a]C[6a])(OSi)(H)	C[6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[5,6]HO)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	C[6](C[5,6]C[6,6]C[5]O[5])(C[6,6a]C[6,6a]C[6a])(OSi)(H){2|H<1>,3|C<4>,4|C<3>}	C[6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|Si<4>,1|C<3>,1|O<2>,2|C<4>,4|H<1>}	117.0700	0.000	1	117.0700	0.000	1	117.0700	0.000	1	117.9633	0.762	4	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	4:3:2:1:	4:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6]-4:C[6,6a]-3:O-2:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HO)(C[6a]C[6a]H)	C[6](C[6,6]C[6,6a]O[6,6]H)(C[6,6a]C[6,6a]C[6a])(OH)(H)	C[6,6a](C[6,6]O[6,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HO)(C[6a]C[6a]H){2|C<3>,2|O<2>,4|H<1>}	C[6](C[6,6]C[6,6a]O[6,6]H)(C[6,6a]C[6,6a]C[6a])(OH)(H){1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[6,6]O[6,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	118.5550	0.000	1	118.5550	0.000	1	118.5550	0.000	1	117.9633	0.762	4	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	4:3:3:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[5,6]-4:C[6,6a]-3:C-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]CH)(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6,6a]C[6,6a]C[6a])(CCH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]S)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]CH)(C[6a]C[6a]H){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6,6a]C[6,6a]C[6a])(CCH)(H){2|H<1>,2|N<3>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]S){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	117.4860	0.000	1	117.4860	0.000	1	117.7428	0.333	4	119.0265	2.989	8	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	4:3:3:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[5,6]-4:C[6,6a]-3:C-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]CH)(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6,6a]C[6,6a]C[6a])(COO)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]CH)(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6,6a]C[6,6a]C[6a])(COO)(H){2|H<1>,2|N<3>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	118.5080	0.000	1	118.5080	0.000	1	117.7428	0.333	4	119.0265	2.989	8	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	4:3:3:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[5,6]-4:C[6,6a]-3:C-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]CH)(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6,6a]C[6,6a]C[6a])(COO)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]S)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]CH)(C[6a]C[6a]H){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6,6a]C[6,6a]C[6a])(COO)(H){2|H<1>,2|N<3>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]S){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	117.8190	0.000	1	117.8190	0.000	1	117.7428	0.333	4	119.0265	2.989	8	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	4:3:3:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[5,6]-4:C[6,6a]-3:C-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]CH)(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(CCH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]CH)(C[6a]C[6a]H){1|C<4>,1|S<4>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(CCH)(H){1|O<1>,2|H<1>,2|N<3>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){1|C<4>,3|C<3>,4|H<1>}	117.1580	0.000	1	117.1580	0.000	1	117.7428	0.333	4	119.0265	2.989	8	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	4:3:3:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(C[6a]C[6a]H)	C[6](C[5,6]C[5,6,6a]C[6a]O[5])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[5,6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(C[6a]C[6a]H){1|O<2>,2|H<1>,6|C<3>}	C[6](C[5,6]C[5,6,6a]C[6a]O[5])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H){1|C<4>,3|H<1>,8|C<3>}	C[6,6a](C[6,6a]C[5,6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	121.6780	0.000	1	121.6780	0.000	1	121.6780	0.000	1	119.0265	2.989	8	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	4:3:3:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[5,6]-4:C[6,6a]-3:N-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]HN)(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6,6a]C[6,6a]C[6a])(NHS)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]HN)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6,6a]C[6,6a]C[6a])(NHS)(H){1|H<1>,1|N<2>,1|N<3>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]C){1|C<3>,1|C<4>,1|N<2>,1|N<3>,3|H<1>}	120.5400	1.194	2	120.5400	1.425	2	120.5400	1.425	2	119.0265	2.989	8	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	4:3:3:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6]-4:C[6,6a]-3:C-3:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]CH)(C[6a]C[6a]H)	C[6](C[6,6]C[6,6]C[6a]O[6])(C[6,6a]C[6,6a]C[6a])(CC[6a]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]H)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]CH)(C[6a]C[6a]H){1|O<2>,3|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6a]O[6])(C[6,6a]C[6,6a]C[6a])(CC[6a]O)(H){1|C<4>,1|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]H)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	118.4830	0.000	1	118.4830	0.000	1	118.4830	0.000	1	119.0265	2.989	8	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	4:3:3:1:	4:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[5,6]C[6a]H)(C[6a]C[6a]H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H)	C[6,6a](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[5,6]C[6a]H)(C[6a]C[6a]H){1|Cl<1>,2|C<4>,3|H<1>,4|C<3>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|C<4>,4|C<3>,4|H<1>}	C[6,6a](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,3|C<4>,6|H<1>}	122.5710	0.000	1	122.2260	1.865	3	122.2260	1.865	3	122.0763	1.944	12	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	4:3:3:1:	4:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[5,6]C[6a]H)(C[6a]C[6a]H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H)	C[6,6a](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[5,6]C[6a]H)(C[6a]C[6a]H){2|C<4>,4|C<3>,4|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|C<4>,4|C<3>,4|H<1>}	C[6,6a](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|Cl<1>,2|C<3>,3|C<4>,5|H<1>}	120.7210	0.000	1	122.2260	1.865	3	122.2260	1.865	3	122.0763	1.944	12	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	4:3:3:1:	4:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[5,6]C[6a]H)(C[6a]C[6a]H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H)	C[6,6a](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[5,6]C[6a]H)(C[6a]C[6a]H){2|C<4>,4|C<3>,4|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|C<4>,4|C<3>,4|H<1>}	C[6,6a](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){3|C<3>,3|C<4>,5|H<1>}	123.3860	0.000	1	122.2260	1.865	3	122.2260	1.865	3	122.0763	1.944	12	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	4:3:3:1:	4:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6]-4:C[6,6a]-3:C-3:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]CH)(C[6a]C[6a]H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(CC[6a]O)(H)	C[6,6a](C[6,6]C[6,6]C[6]O[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]CH)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(CC[6a]O)(H){1|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6]C[6,6]C[6]O[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,3|C<3>,3|C<4>,5|H<1>}	122.3700	0.000	1	122.3700	0.000	1	121.1084	1.241	5	122.0763	1.944	12	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	4:3:3:1:	4:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6]-4:C[6,6a]-3:C-3:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]CH)(C[6a]C[6a]H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(CC[6a]O)(H)	C[6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]CH)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(CC[6a]O)(H){1|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	121.4760	0.000	1	121.6470	0.058	2	121.1084	1.241	5	122.0763	1.944	12	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	4:3:3:1:	4:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6]-4:C[6,6a]-3:C-3:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]CH)(C[6a]C[6a]H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(CC[6a]O)(H)	C[6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]CH)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(CC[6a]O)(H){2|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	121.8180	0.000	1	121.6470	0.058	2	121.1084	1.241	5	122.0763	1.944	12	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	4:3:3:1:	4:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6]-4:C[6,6a]-3:C-3:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]CH)(C[6a]C[6a]H)	C[6](C[6,6]C[6,6a]O[6,6]H)(C[6,6a]C[6,6a]C[6a])(CC[6a]O)(H)	C[6,6a](C[6,6]O[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]CH)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[6,6]C[6,6a]O[6,6]H)(C[6,6a]C[6,6a]C[6a])(CC[6a]O)(H){1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[6,6]O[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	119.9390	0.007	2	119.9390	0.000	2	121.1084	1.241	5	122.0763	1.944	12	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	4:3:3:1:	4:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]C[6a]H)(C[6a]C[6a]H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H)	C[6,6a](C[6,6]C[6,6]N[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]C[6a]H)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<2>,3|H<1>,4|C<3>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H){1|C<4>,4|H<1>,7|C<3>}	C[6,6a](C[6,6]C[6,6]N[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,1|S<4>,3|H<1>,4|C<3>}	122.3290	0.486	2	122.3290	0.237	2	122.3290	0.237	2	122.0763	1.944	12	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	4:3:3:1:	4:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6]-4:C[6,6a]-3:N-3:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HN)(C[6a]C[6a]H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(NCH)(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HN)(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(NCH)(H){1|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|N<3>,6|H<1>}	124.0185	0.156	2	124.0185	0.024	2	124.0185	0.024	2	122.0763	1.944	12	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	4:3:3:4:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[5,6]-4:C[6,6a]-3:O-3:C-4:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]CO)(C[6a]C[6a]H)	C[6](C[5,6]C[6,6a]C[5]N[5])(C[6,6a]C[6,6a]C[6a])(OAl2)(CH3)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]CO)(C[6a]C[6a]H){1|C<4>,1|N<4>,2|H<1>,3|C<3>}	C[6](C[5,6]C[6,6a]C[5]N[5])(C[6,6a]C[6,6a]C[6a])(OAl2)(CH3){1|C<4>,3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<3>,2|C<4>,3|C<3>,3|H<1>}	116.5250	0.000	1	116.5250	0.000	1	116.5250	0.000	1	116.5250	0.000	1	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	4:3:4:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[5,6]-4:C[6,6a]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]CH)(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(CCHH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]CH)(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|H<1>,3|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(CCHH)(H){1|N<3>,1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){2|C<3>,2|C<4>,4|H<1>}	122.4230	0.000	1	122.4230	0.000	1	122.4230	0.000	1	122.4230	0.000	1	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	4:3:4:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	B[3x6]-4:C[6,6a]-3:C-4:H-1:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]B[3x6]CH)(C[6a]C[6a]H)	C[6](B[3x6]C[6,6]2N[6,6])(C[6,6a]C[6,6a]C[6a])(CCCH)(H)	C[6,6a](C[6,6]N[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]B[3x6]CH)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6](B[3x6]C[6,6]2N[6,6])(C[6,6a]C[6,6a]C[6a])(CCCH)(H){3|H<1>,4|C<3>,4|C<4>}	C[6,6a](C[6,6]N[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|B<4>,1|C<4>,1|N<3>,2|C<3>,4|H<1>}	119.7590	0.000	1	120.4105	1.005	6	120.4105	1.005	6	119.4658	2.874	10	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	4:3:4:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	B[3x6]-4:C[6,6a]-3:C-4:H-1:	C[6,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]B[3x6]CH)(C[6a]C[6a]H)	C[6](B[3x6]C[6,6]2N[6,6])(C[6,6a]C[6,6a]C[6a])(CCCH)(H)	C[6,6a](C[6,6]N[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]B[3x6]CH)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6](B[3x6]C[6,6]2N[6,6])(C[6,6a]C[6,6a]C[6a])(CCCH)(H){3|H<1>,4|C<3>,4|C<4>}	C[6,6a](C[6,6]N[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|B<4>,1|C<4>,3|C<3>,4|H<1>}	120.5408	1.063	5	120.4105	1.005	6	120.4105	1.005	6	119.4658	2.874	10	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	4:3:4:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	B[3x6]-4:C[6,6a]-3:C-4:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]B[3x6]CH)(C[6a]C[6a]H)	C[6](B[3x6]N[6,6a]C[6,6]2)(C[6,6a]C[6,6a]C[6a])(CCCH)(H)	C[6,6a](C[6,6a]N[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]B[3x6]CH)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6](B[3x6]N[6,6a]C[6,6]2)(C[6,6a]C[6,6a]C[6a])(CCCH)(H){3|H<1>,4|C<3>,4|C<4>}	C[6,6a](C[6,6a]N[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|B<4>,1|C<4>,3|C<3>,4|H<1>}	119.5520	0.000	1	119.5520	0.000	1	119.5520	0.000	1	119.4658	2.874	10	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	4:3:4:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[5,6,6]-4:C[6,6a]-3:C-4:H-1:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6,6]CH)(C[6a]C[6a]H)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6a]C[6,6a]C[6a])(CH3)(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[5,6,6]S)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6,6]CH)(C[6a]C[6a]H){1|C<3>,1|S<4>,2|C<4>,3|H<1>}	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6a]C[6,6a]C[6a])(CH3)(H){1|C<4>,1|N<3>,1|O<2>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[5,6,6]S)(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	117.3530	0.000	1	117.3530	0.000	1	117.3530	0.000	1	119.4658	2.874	10	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	4:3:4:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[5,6]-4:C[6,6a]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]CH)(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(CCHH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]CH)(C[6a]C[6a]H){1|C<4>,1|S<4>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(CCHH)(H){1|O<1>,2|H<1>,2|N<3>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]S){2|C<3>,2|C<4>,4|H<1>}	116.1640	0.000	1	116.1640	0.000	1	117.6450	4.387	2	119.4658	2.874	10	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	4:3:4:1:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[5,6]-4:C[6,6a]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]CH)(C[6a]C[6a]O)	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(CH3)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(N[6]C[5,6]N)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]CH)(C[6a]C[6a]O){1|C<4>,2|C<3>,2|H<1>,2|N<3>}	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(CH3)(H){1|H<1>,1|N<3>,2|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(N[6]C[5,6]N){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	119.1260	0.000	1	119.1260	0.000	1	117.6450	4.387	2	119.4658	2.874	10	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	4:3:4:1:	3:3:4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6]-4:C[6,6a]-3:C-4:H-1:	C[5,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6a](C[6,6a]C[5,6a]C[6])(C[6]C[6,6]CH)(C[6a]C[6a]H)	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]C[6a])(CH3)(H)	C[6,6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6a]C[6])(C[6]N[6,6]HH)	C[6,6a](C[6,6a]C[5,6a]C[6])(C[6]C[6,6]CH)(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]C[6a])(CH3)(H){1|H<1>,2|C<4>,4|C<3>}	C[6,6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6a]C[6])(C[6]N[6,6]HH){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	120.1250	0.000	1	120.1250	0.000	1	120.1250	0.000	1	120.1250	0.000	1	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	4:3:4:1:	3:4:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6]-4:C[6,6a]-3:C-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]CH)(C[6a]C[6a]H)	C[6](C[6,6]C[6,6]C[6a]C[6])(C[6,6a]C[6,6a]C[6a])(CBrHH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]CH)(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6a]C[6])(C[6,6a]C[6,6a]C[6a])(CBrHH)(H){2|C<4>,4|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	120.7750	0.000	1	120.7750	0.000	1	120.7750	0.000	1	120.7750	0.000	1	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	4:3:4:1:	4:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[3x6]-4:C[6,6a]-3:C-4:H-1:	C[3x6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[3x6]C[6a])(C[6]C[3x6]CH)(C[6a]C[6a]O)	C[6](C[3x6]C[4x6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(CH3)(H)	C[6,6a](C[3x6]C[4x6]C[6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[3x6]C[6a])(C[6]C[3x6]CH)(C[6a]C[6a]O){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[3x6]C[4x6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(CH3)(H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[3x6]C[4x6]C[6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,3|C<4>,5|H<1>}	122.2140	0.000	1	122.2140	0.000	1	122.2140	0.000	1	122.2140	0.000	1	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	4:3:4:2:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[3x6]-4:C[6,6a]-3:C-4:O-2:	N[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[3x6]CO)(C[6a]C[6a]H)	C[6](C[3x6]C[5,4x6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(CH3)(OH)	C[6,6a](N[5,6]C[5,4x6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[3x6]CO)(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	C[6](C[3x6]C[5,4x6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(CH3)(OH){1|C<4>,2|N<3>,3|C<3>,3|H<1>}	C[6,6a](N[5,6]C[5,4x6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	124.3065	0.066	2	124.3065	0.004	2	124.3065	0.004	2	119.5600	6.727	14	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	4:3:4:2:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[5,6]-4:C[6,6a]-3:C-4:O-2:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]CO)(C[6a]C[6a]H)	C[6](C[5,6]C[6,6a]C[5]N[5])(C[6,6a]C[6,6a]C[6a])(CCHH)(OH)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]CO)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6](C[5,6]C[6,6a]C[5]N[5])(C[6,6a]C[6,6a]C[6a])(CCHH)(OH){1|C<4>,3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	119.0590	0.506	2	119.0590	0.256	2	119.0590	0.256	2	119.5600	6.727	14	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	4:3:4:2:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[5,6]-4:C[6,6a]-3:C-4:O-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]CO)(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]C[5]N[6])(C[6,6a]C[6,6a]C[6a])(CH3)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]CO)(C[6a]C[6a]H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6a]C[5]N[6])(C[6,6a]C[6,6a]C[6a])(CH3)(OH){1|C<4>,1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	119.7360	0.233	2	119.7360	0.054	2	119.7360	0.054	2	119.5600	6.727	14	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	4:3:4:2:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[5,6]-4:C[6,6a]-3:C-4:O-2:	N[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[5,6]CO)(C[6a]C[6a]H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(CH3)(OH)	C[6,6a](N[5,6]C[5,5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[5,6]CO)(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(CH3)(OH){1|C<4>,2|C<3>,2|N<3>,4|H<1>}	C[6,6a](N[5,6]C[5,5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	120.2955	4.296	2	118.7917	4.228	7	118.7917	4.228	7	119.5600	6.727	14	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	4:3:4:2:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[5,6]-4:C[6,6a]-3:C-4:O-2:	N[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[5,6]CO)(C[6a]C[6a]H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(CH3)(OH)	C[6,6a](N[5,6]C[5,5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[5,6]CO)(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(CH3)(OH){2|N<3>,3|C<3>,4|H<1>}	C[6,6a](N[5,6]C[5,5,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	118.1902	0.382	5	118.7917	4.228	7	118.7917	4.228	7	119.5600	6.727	14	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	4:3:4:2:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6]-4:C[6,6a]-3:C-4:O-2:	N[5,6]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[6,6]CO)(C[6a]C[6a]H)	C[6](C[6,6]C[4,5,6,6]C[6]H)(C[6,6a]C[6,6a]C[6a])(CH3)(OH)	C[6,6a](N[5,6]C[4,5,6,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[6,6]CO)(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6]C[4,5,6,6]C[6]H)(C[6,6a]C[6,6a]C[6a])(CH3)(OH){1|C<4>,2|N<3>,3|C<3>,3|H<1>}	C[6,6a](N[5,6]C[4,5,6,6]C[5])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	116.0950	0.000	1	116.0950	0.000	1	116.0950	0.000	1	119.5600	6.727	14	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	4:3:4:4:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[5,6]-4:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]CC)(C[6a]C[6a]H)	C[6](C[5,6]C[5,3x6]C[5]H)(C[6,6a]C[6,6a]C[6a])(CH3)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,3x6]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]CC)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,3x6]C[5]H)(C[6,6a]C[6,6a]C[6a])(CH3)2{2|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,3x6]O)(C[6a]C[6a]H){2|C<3>,2|H<1>,4|C<4>}	118.6720	0.107	2	118.6720	0.012	2	118.6720	0.012	2	119.3933	1.567	3	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	4:3:4:4:	3:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[5,6]-4:C[6,6a]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]CC)(C[6a]C[6a]H)	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6,6a]C[6,6a]C[6a])(CCHH)(CHHO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]CC)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6,6a]C[6,6a]C[6a])(CCHH)(CHHO){1|H<1>,1|N<2>,1|N<3>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]C){1|C<3>,1|N<2>,2|H<1>,3|C<4>}	120.8360	0.000	1	120.8360	0.000	1	120.8360	0.000	1	119.3933	1.567	3	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	3:4:3:	4:3:4:4:	4:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6]-4:C[6,6a]-3:C-4:C-4:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[6,6]CC)(C[6a]C[6a]O)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6,6a]C[6a])(CH3)2	C[6,6a](C[5,6]C[5,6,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[6,6]CC)(C[6a]C[6a]O){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6,6a]C[6a])(CH3)2{2|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[6,6a](C[5,6]C[5,6,6]O[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|C<3>,2|H<1>,2|O<2>,4|C<4>}	120.5120	0.000	1	120.5120	0.000	1	120.5120	0.000	1	120.5120	0.000	1	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	4:3:2:	3:3:4:1:	4:3:3:	C[6]-4:C[6,6a]-3:N[6a]-2:	C[6,6a]-3:C[6,6a]-3:C[6]-4:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(N[6a]C[6,6a])	C[6](C[6,6a]C[6,6a]N[6a])2(C[6]C[6,6a]2H)(H)	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]N[6a]C[6])(C[6a]C[6,6a]C)	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(N[6a]C[6,6a]){1|N<2>,2|C<4>,2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]N[6a])2(C[6]C[6,6a]2H)(H){1|C<4>,8|C<3>}	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]N[6a]C[6])(C[6a]C[6,6a]C){2|C<4>,2|H<1>,5|C<3>}	117.8990	0.081	2	117.8990	0.006	2	117.8990	0.006	2	117.8990	0.006	2	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	4:3:2:	3:3:4:4:	4:3:3:	C[6]-4:C[6,6a]-3:N[6a]-2:	C[6,6a]-3:C[6,6a]-3:C[6]-4:C-4:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6]C[6,6a]C[6]C)(C[6,6a]C[6a]C[6])(N[6a]C[6a])	C[6](C[6,6a]C[6,6a]N[6a])2(C[6]C[6,6a]2H)(CH3)	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]N[6a]C[6])(C[6a]C[6a]O)	C[6,6a](C[6]C[6,6a]C[6]C)(C[6,6a]C[6a]C[6])(N[6a]C[6a]){1|C<4>,1|N<2>,1|O<2>,2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]N[6a])2(C[6]C[6,6a]2H)(CH3){1|C<4>,8|C<3>}	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]N[6a]C[6])(C[6a]C[6a]O){1|H<1>,3|C<4>,5|C<3>}	117.1690	0.126	2	117.1690	0.016	2	117.1690	0.016	2	117.1690	0.016	2	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	4:3:3:	3:3:3:1:	3:2:2:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6a]-2:O[6]-2:	C[6,6a](C[6]C[5a,6]C[6a]H)(C[6,6a]N[6a]O[6])(C[6a]C[6,6a]N)	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6,6a])(O[6]C[5a,6])	C[6,6a](C[6]C[5a,6]C[6a]H)(C[6,6a]N[6a]O[6])(C[6a]C[6,6a]N){1|C<4>,5|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H){1|C<4>,1|O<2>,2|H<1>,2|N<2>,2|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6,6a])(O[6]C[5a,6]){1|C<4>,1|H<1>,2|N<3>,3|C<3>}	124.0200	0.000	1	124.0200	0.000	1	124.0200	0.000	1	124.1797	2.976	3	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	4:3:3:	3:3:3:1:	3:2:2:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:O[6]-2:N[6a]-2:	C[6,6a](C[6]C[5a,6]C[6a]H)(C[6,6a]N[6a]O[6])(C[6a]N[6a]O)	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6a]C[6])(O[6]C[5a,6])(N[6a]C[6a])	C[6,6a](C[6]C[5a,6]C[6a]H)(C[6,6a]N[6a]O[6])(C[6a]N[6a]O){6|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>,2|N<2>,2|N<3>}	C[6,6a](C[6,6a]C[6a]C[6])(O[6]C[5a,6])(N[6a]C[6a]){1|H<1>,1|O<1>,2|C<3>,3|N<3>}	125.9790	0.000	1	125.9790	0.000	1	125.9790	0.000	1	124.1797	2.976	3	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	4:3:3:	3:3:3:1:	3:2:2:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:O[6]-2:N[6a]-2:	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]N[6a]O[6])(C[6a]N[6a]N)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6a]C[6])(O[6]C[6,6a])(N[6a]C[6a])	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]N[6a]O[6])(C[6a]N[6a]N){5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|H<1>,2|N<2>,2|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(O[6]C[6,6a])(N[6a]C[6a]){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	122.5400	0.000	1	122.5400	0.000	1	122.5400	0.000	1	124.1797	2.976	3	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	4:3:3:	3:3:3:1:	3:2:3:	C[6]-4:C[6,6a]-3:C[6a]-3:	N[5,6]-3:C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:O[6]-2:C[6a]-3:	C[6,6a](C[6]N[5,6]C[6a]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6](N[5,6]Si[5,6,6]C[5,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6a]C[6])(O[6]Si[5,6,6])(C[6a]C[6a]H)	C[6,6a](C[6]N[5,6]C[6a]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|Si<5>,2|H<1>,4|C<3>}	C[6](N[5,6]Si[5,6,6]C[5,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H){1|N<3>,2|O<2>,3|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(O[6]Si[5,6,6])(C[6a]C[6a]H){1|O<2>,2|N<3>,3|C<3>,3|H<1>}	119.2690	0.000	1	120.3590	2.376	2	120.3590	2.376	2	120.3590	2.376	2	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	4:3:3:	3:3:3:1:	3:2:3:	C[6]-4:C[6,6a]-3:C[6a]-3:	N[5,6]-3:C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:O[6]-2:C[6a]-3:	C[6,6a](C[6]N[5,6]C[6a]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6](N[5,6]Si[5,6,6]C[5,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6a]C[6])(O[6]Si[5,6,6])(C[6a]C[6a]H)	C[6,6a](C[6]N[5,6]C[6a]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|Si<5>,2|H<1>,4|C<3>}	C[6](N[5,6]Si[5,6,6]C[5,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H){1|N<3>,2|O<2>,3|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(O[6]Si[5,6,6])(C[6a]C[6a]H){2|H<1>,2|N<3>,2|O<2>,3|C<3>}	121.4490	0.000	1	120.3590	2.376	2	120.3590	2.376	2	120.3590	2.376	2	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	4:3:3:	3:3:3:1:	3:3:2:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5a]-3:C[6,6]-3:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6]C[6,6]C[5a]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[6,6]C[6,6]C[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	C[6,6a](C[6]C[6,6]C[5a]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[6,6]C[6,6]C[6])(H){1|N<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<4>,3|C<3>,3|H<1>}	121.5470	0.000	1	121.5470	0.000	1	121.5470	0.000	1	121.6925	1.659	33	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	4:3:3:	3:3:3:1:	3:3:2:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a](C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]N[6])(C[6a]C[5,6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(N[6]C[6,6])	C[6,6a](C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]N[6])(C[6a]C[5,6a]H){1|H<1>,1|O<2>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|O<1>,2|C<4>,2|N<2>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(N[6]C[6,6]){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	121.4400	0.000	1	121.4400	0.000	1	121.4400	0.000	1	121.6925	1.659	33	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	4:3:3:	3:3:3:1:	3:3:2:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	C[6,6a](C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]C){2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,2|H<1>,3|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|H<1>,3|C<3>,3|C<4>}	120.6820	0.000	1	120.6820	0.000	1	120.7520	0.381	4	121.6925	1.659	33	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	4:3:3:	3:3:3:1:	3:3:2:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	C[6,6a](C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|Br<1>,1|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,2|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<4>,3|C<3>,3|H<1>}	121.3330	0.000	1	121.2040	0.033	2	120.7520	0.381	4	121.6925	1.659	33	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	4:3:3:	3:3:3:1:	3:3:2:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	C[6,6a](C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|N<2>,1|O<2>,2|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<4>,3|C<3>,3|H<1>}	121.0750	0.000	1	121.2040	0.033	2	120.7520	0.381	4	121.6925	1.659	33	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	4:3:3:	3:3:3:1:	3:3:2:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(O[6]C[6,6])	C[6,6a](C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|H<1>,1|O<2>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,2|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(O[6]C[6,6]){1|C<4>,3|C<3>,3|H<1>}	119.9180	0.000	1	119.9180	0.000	1	120.7520	0.381	4	121.6925	1.659	33	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	4:3:3:	3:3:3:1:	3:3:2:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:N[6a]-2:	C[6,6a](C[6]C[6,6]C[6a]H)(C[6,6a]N[6a]N[6])(C[6a]N[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6]H)(N[6a]C[6a])	C[6,6a](C[6]C[6,6]C[6a]H)(C[6,6a]N[6a]N[6])(C[6a]N[6a]O){1|H<1>,2|C<4>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|C<4>,1|N<2>,1|O<1>,2|N<3>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6]H)(N[6a]C[6a]){1|H<1>,1|N<3>,1|O<1>,1|S<2>,3|C<3>}	121.3700	0.000	1	122.7050	1.279	4	122.7050	1.279	4	121.6925	1.659	33	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	4:3:3:	3:3:3:1:	3:3:2:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:N[6a]-2:	C[6,6a](C[6]C[6,6]C[6a]H)(C[6,6a]N[6a]N[6])(C[6a]N[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6]H)(N[6a]C[6a])	C[6,6a](C[6]C[6,6]C[6a]H)(C[6,6a]N[6a]N[6])(C[6a]N[6a]O){2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|N<2>,2|H<1>,2|N<3>,2|O<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6]H)(N[6a]C[6a]){1|H<1>,1|N<3>,1|O<1>,1|S<2>,3|C<3>}	123.1500	0.854	3	122.7050	1.279	4	122.7050	1.279	4	121.6925	1.659	33	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	4:3:3:	3:3:3:1:	3:3:2:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:I[6]-2:	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]I[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(I[6]C[6,6a])	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]I[6])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H){1|I<2>,4|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(I[6]C[6,6a]){3|H<1>,4|C<3>}	123.7610	0.349	2	123.7610	0.122	2	123.7610	0.122	2	121.6925	1.659	33	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	4:3:3:	3:3:3:1:	3:3:2:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a,6a]C[6a])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a])	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|H<1>,1|O<2>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a,6a]C[6a])(H){1|O<2>,3|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a]){3|H<1>,4|C<3>}	121.2900	0.000	1	121.6980	0.120	6	122.1346	0.530	13	121.6925	1.659	33	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	4:3:3:	3:3:3:1:	3:3:2:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a,6a]C[6a])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a])	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a,6a]C[6a])(H){1|O<2>,3|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a]){3|H<1>,4|C<3>}	121.7796	0.317	5	121.6980	0.120	6	122.1346	0.530	13	121.6925	1.659	33	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	4:3:3:	3:3:3:1:	3:3:2:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a])	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H){1|H<1>,1|O<2>,2|C<3>,2|O<1>,5|N<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|N<3>,3|C<3>,3|H<1>}	122.0520	0.000	1	121.9165	0.093	4	122.1346	0.530	13	121.6925	1.659	33	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	4:3:3:	3:3:3:1:	3:3:2:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a])	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H){1|H<1>,2|N<3>,2|O<1>,3|C<3>,3|O<2>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|N<3>,3|C<3>,3|H<1>}	121.4930	0.000	1	121.9165	0.093	4	122.1346	0.530	13	121.6925	1.659	33	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	4:3:3:	3:3:3:1:	3:3:2:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a])	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H){1|O<2>,4|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a]){3|H<1>,4|C<3>}	122.0605	0.202	2	121.9165	0.093	4	122.1346	0.530	13	121.6925	1.659	33	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	4:3:3:	3:3:3:1:	3:3:2:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]O[6])(C[6a]O[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a])	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]O[6])(C[6a]O[6a]O){1|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|H<1>,2|N<2>,2|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|C<4>,1|H<1>,1|N<2>,1|O<1>,1|O<2>,2|C<3>}	123.0710	0.000	1	123.2987	0.039	3	122.1346	0.530	13	121.6925	1.659	33	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	4:3:3:	3:3:3:1:	3:3:2:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]O[6])(C[6a]O[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a])	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]O[6])(C[6a]O[6a]O){1|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H){2|H<1>,2|O<1>,3|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|C<4>,1|H<1>,1|O<1>,1|O<2>,3|C<3>}	123.4125	0.021	2	123.2987	0.039	3	122.1346	0.530	13	121.6925	1.659	33	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	4:3:3:	3:3:3:1:	3:3:2:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6a]-3:O[6]-2:	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]N[6a]O[6])(C[6a]N[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]C)(O[6]C[6,6a])	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]N[6a]O[6])(C[6a]N[6a]O){2|C<4>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H){1|H<1>,1|O<2>,2|C<3>,2|O<1>,5|N<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]C)(O[6]C[6,6a]){1|H<1>,1|N<3>,2|O<1>,3|C<3>}	121.8880	0.000	1	121.8080	0.013	2	121.7947	0.007	3	121.6925	1.659	33	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	4:3:3:	3:3:3:1:	3:3:2:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6a]-3:O[6]-2:	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]N[6a]O[6])(C[6a]N[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]C)(O[6]C[6,6a])	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]N[6a]O[6])(C[6a]N[6a]O){2|C<4>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H){1|H<1>,2|N<3>,2|O<1>,3|C<3>,3|O<2>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]C)(O[6]C[6,6a]){1|H<1>,1|N<3>,2|O<1>,3|C<3>}	121.7280	0.000	1	121.8080	0.013	2	121.7947	0.007	3	121.6925	1.659	33	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	4:3:3:	3:3:3:1:	3:3:2:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6a]-3:O[6]-2:	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]N[6a]O[6])(C[6a]N[6a]O)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]C)(O[6]C[6,6a])	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]N[6a]O[6])(C[6a]N[6a]O){2|C<4>,5|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,2|H<1>,2|N<3>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]C)(O[6]C[6,6a]){1|H<1>,1|N<3>,2|O<1>,3|C<3>}	121.7680	0.000	1	121.7680	0.000	1	121.7947	0.007	3	121.6925	1.659	33	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	4:3:3:	3:3:3:1:	3:3:2:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6,6]-3:C[5a]-3:H-1:	C[6,6a]-3:N[6a]-3:N[6]-2:	C[6,6a](C[6]N[6,6]C[5a]H)(C[6,6a]N[6a]N[6])(C[6a]N[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(C[5a]C[5a]S[5a])(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]C)(N[6]C[6,6])	C[6,6a](C[6]N[6,6]C[5a]H)(C[6,6a]N[6a]N[6])(C[6a]N[6a]O){1|S<2>,3|C<3>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(C[5a]C[5a]S[5a])(H){1|C<4>,1|N<2>,1|O<1>,2|N<3>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]C)(N[6]C[6,6]){1|H<1>,2|C<3>,2|N<3>,2|O<1>}	119.6355	0.622	2	119.6355	0.386	2	119.6355	0.386	2	121.6925	1.659	33	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	4:3:3:	3:3:3:1:	3:3:2:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6,6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a](C[6]N[6,6]C[6a]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6])	C[6,6a](C[6]N[6,6]C[6a]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|C<4>,1|N<2>,5|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]){1|N<3>,3|C<3>,3|H<1>}	119.9975	1.241	2	119.9975	1.540	2	119.9975	1.540	2	121.6925	1.659	33	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	4:3:3:	3:3:3:1:	3:3:2:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6,6]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6a]-3:N[6]-2:	C[6,6a](C[6]N[6,6]C[6a]H)(C[6,6a]N[6a]N[6])(C[6a]N[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]C)(N[6]C[6,6])	C[6,6a](C[6]N[6,6]C[6a]H)(C[6,6a]N[6a]N[6])(C[6a]N[6a]O){2|C<4>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|N<2>,1|O<1>,2|N<3>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]C)(N[6]C[6,6]){1|H<1>,2|C<3>,2|N<3>,2|O<1>}	119.1160	0.000	1	119.1160	0.000	1	119.1160	0.000	1	121.6925	1.659	33	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	4:3:3:	3:3:3:1:	3:3:3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]H)	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]H){1|C<4>,3|C<3>,3|H<1>}	123.3910	0.000	1	123.3910	0.000	1	123.3910	0.000	1	120.7972	1.551	26	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	4:3:3:	3:3:3:1:	3:3:3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]N[6])(C[6a]C[5,6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(N[6]C[6,6]H)	C[6,6a](C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]N[6])(C[6a]C[5,6a]H){1|O<2>,2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(N[6]C[6,6]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	121.4713	0.717	3	121.4713	0.513	3	121.2755	0.496	4	120.7972	1.551	26	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	4:3:3:	3:3:3:1:	3:3:3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]H)	C[6,6a](C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|O<2>,2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,2|O<2>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]H){1|O<2>,3|C<3>,3|H<1>}	120.6880	0.000	1	120.6880	0.000	1	121.2755	0.496	4	120.7972	1.551	26	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	4:3:3:	3:3:3:1:	3:3:3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[5]-3:H-1:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a](C[6]C[6,6a]C[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[5]C[5,6a]C[5])(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6,6a](C[6]C[6,6a]C[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[5]C[5,6a]C[5])(H){1|N<3>,2|H<1>,8|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){3|H<1>,4|C<3>}	121.4360	0.598	2	121.4360	0.358	2	121.4360	0.358	2	120.7972	1.551	26	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	4:3:3:	3:3:3:1:	3:3:3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[5a]-3:Cl-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6]C[6,6a]C[5a]Cl)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[5a]C[5a]N[5a])(Cl)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6]C[6,6a]C[5a]Cl)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<2>,1|O<1>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[5a]C[5a]N[5a])(Cl){1|O<2>,2|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|Cl<1>,2|H<1>,4|C<3>}	121.1565	0.163	4	121.1565	0.027	4	121.1565	0.027	4	120.7972	1.551	26	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	4:3:3:	3:3:3:1:	3:3:3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[5a]-3:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6]C[6,6a]C[5a]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])2(C[5a]C[5a]S[5a])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6]C[6,6a]C[5a]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|O<1>,1|S<2>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[5a]C[5a]S[5a])(H){1|H<1>,2|O<2>,7|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	121.8135	0.280	4	121.8135	0.078	4	121.8135	0.078	4	120.7972	1.551	26	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	4:3:3:	3:3:3:1:	3:3:3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H){1|N<3>,4|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){3|H<1>,4|C<3>}	119.2392	1.027	4	119.8740	1.604	6	119.9352	0.997	10	120.7972	1.551	26	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	4:3:3:	3:3:3:1:	3:3:3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H){1|N<3>,4|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){3|H<1>,4|C<3>}	121.1435	0.144	2	119.8740	1.604	6	119.9352	0.997	10	120.7972	1.551	26	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	4:3:3:	3:3:3:1:	3:3:3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]Li)(C[6a]C[6a]H)	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|Li<4>,2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H){1|N<3>,4|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]Li)(C[6a]C[6a]H){3|H<1>,4|C<3>}	119.5605	0.022	2	119.5605	0.000	2	119.9352	0.997	10	120.7972	1.551	26	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	4:3:3:	3:3:3:1:	3:3:3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]O){2|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H){1|N<3>,2|H<1>,2|O<2>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){1|O<2>,2|H<1>,6|C<3>}	120.4935	0.165	2	120.4935	0.027	2	119.9352	0.997	10	120.7972	1.551	26	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	4:3:3:	3:3:3:1:	3:3:3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:N[6a]-3:	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]N[6a]N[6])(C[6a]N[6a]O)	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(N[6a]C[6a]H)	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]N[6a]N[6])(C[6a]N[6a]O){3|H<1>,5|C<3>}	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H){1|O<1>,2|H<1>,3|N<3>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(N[6a]C[6a]H){1|H<1>,1|N<3>,2|O<1>,3|C<3>}	118.1310	0.000	1	118.1310	0.000	1	118.1310	0.000	1	120.7972	1.551	26	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	4:3:3:	3:3:3:1:	3:4:3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[5a]-3:H-1:	C[6,6a]-3:S[6]-4:C[6a]-3:	C[6,6a](C[6]C[6,6a]C[5a]H)(C[6,6a]C[6a]S[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[5a]C[5a]O[5a])(H)	C[6,6a](C[6,6a]C[6a]C[6])(S[6]C[6,6a]OO)(C[6a]C[6a]H)	C[6,6a](C[6]C[6,6a]C[5a]H)(C[6,6a]C[6a]S[6])(C[6a]C[6a]H){1|O<2>,2|H<1>,2|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[5a]C[5a]O[5a])(H){1|S<4>,3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(S[6]C[6,6a]OO)(C[6a]C[6a]H){3|H<1>,4|C<3>}	122.2955	0.047	2	122.2955	0.002	2	122.2955	0.002	2	117.1390	3.295	25	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	4:3:3:	3:3:3:1:	3:4:3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[6,6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6,6a]H)	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[6,6a]H){2|C<4>,2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H){1|C<4>,4|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6,6a]H){1|C<4>,2|H<1>,4|C<3>}	116.9074	0.804	8	116.8043	0.888	16	116.6141	0.872	22	117.1390	3.295	25	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	4:3:3:	3:3:3:1:	3:4:3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[6,6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6,6a]H)	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[6,6a]H){2|C<4>,2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H){2|C<4>,3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6,6a]H){1|C<4>,2|H<1>,4|C<3>}	116.7013	1.111	8	116.8043	0.888	16	116.6141	0.872	22	117.1390	3.295	25	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	4:3:3:	3:3:3:1:	3:4:3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H)	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,3|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H){1|O<2>,2|C<4>,2|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H){3|H<1>,4|C<3>}	116.3625	0.042	2	116.3625	0.002	2	116.6141	0.872	22	117.1390	3.295	25	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	4:3:3:	3:3:3:1:	3:4:3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CO)(C[6a]C[6a]H)	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|H<1>,2|O<2>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H){2|C<4>,3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CO)(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	116.6800	0.629	2	116.6800	0.396	2	116.6141	0.872	22	117.1390	3.295	25	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	4:3:3:	3:3:3:1:	3:4:3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HH)(C[6a]C[6a]O)	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,3|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H){1|C<4>,4|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HH)(C[6a]C[6a]O){1|C<4>,2|H<1>,4|C<3>}	115.2785	0.544	2	115.2785	0.296	2	116.6141	0.872	22	117.1390	3.295	25	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	4:3:3:	3:3:3:1:	3:4:3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6,6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6]N[6,6]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H)	C[6,6a](C[6]N[6,6]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|O<1>,2|C<4>,4|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|N<3>,1|O<2>,3|C<3>,3|H<1>}	118.3740	0.000	1	118.3740	0.000	1	118.3740	0.000	1	117.1390	3.295	25	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	4:3:3:	3:3:3:1:	4:3:3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:H-1:	P[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]P[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H)	C[6,6a](P[6]C[6,6a]C[6a]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]P[6])(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H){1|P<4>,4|H<1>,6|C<3>}	C[6,6a](P[6]C[6,6a]C[6a]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,2|H<1>,8|C<3>}	124.5650	1.334	2	124.2965	2.895	4	124.2293	1.786	6	124.2293	1.786	6	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	4:3:3:	3:3:3:1:	4:3:3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:H-1:	P[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]P[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H)	C[6,6a](P[6]C[6,6a]C[6a]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]P[6])(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H){1|P<4>,4|H<1>,6|C<3>}	C[6,6a](P[6]C[6,6a]C[6a]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){3|H<1>,8|C<3>}	124.0280	2.572	2	124.2965	2.895	4	124.2293	1.786	6	124.2293	1.786	6	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	4:3:3:	3:3:3:1:	4:3:3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:H-1:	P[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]P[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H)	C[6,6a](P[6]C[6,6a]C[6a]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]P[6])(C[6a]C[6a]H){1|O<1>,2|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H){1|C<4>,1|P<4>,3|H<1>,6|C<3>}	C[6,6a](P[6]C[6,6a]C[6a]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,2|H<1>,6|C<3>}	124.0950	0.436	2	124.0950	0.190	2	124.2293	1.786	6	124.2293	1.786	6	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	4:3:3:	3:3:3:2:	3:3:2:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:C-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6]C[6,6a]C[6a]C)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(CN)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a])	C[6,6a](C[6]C[6,6a]C[6a]C)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(CN){1|O<2>,3|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|C<2>,1|H<1>,1|N<3>,4|C<3>}	121.3535	0.268	2	121.3535	0.072	2	121.3535	0.072	2	121.4686	0.497	48	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	4:3:3:	3:3:3:2:	3:3:2:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6]C[6,6a]C[6a]O)(C[6,6a]C[6a]O[6])(C[6a]C[6a,6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(O[6]C[6,6a])	C[6,6a](C[6]C[6,6a]C[6a]O)(C[6,6a]C[6a]O[6])(C[6a]C[6a,6a]H){1|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(OC){1|O<2>,4|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(O[6]C[6,6a]){1|H<1>,1|O<2>,5|C<3>}	121.8805	0.127	2	121.8805	0.016	2	121.4736	0.517	46	121.4686	0.497	48	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	4:3:3:	3:3:3:2:	3:3:2:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6]C[6,6a]C[6a]O)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a,6a]C[6a])(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a])	C[6,6a](C[6]C[6,6a]C[6a]O)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a,6a]C[6a])(OH){1|O<2>,3|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|O<2>,2|H<1>,4|C<3>}	121.7967	0.668	6	121.7967	0.446	6	121.4736	0.517	46	121.4686	0.497	48	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	4:3:3:	3:3:3:2:	3:3:2:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6]C[6,6a]C[6a]O)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a])	C[6,6a](C[6]C[6,6a]C[6a]O)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(OC){1|O<2>,3|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|O<2>,2|H<1>,4|C<3>}	120.4860	0.506	2	121.3028	0.975	4	121.4736	0.517	46	121.4686	0.497	48	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	4:3:3:	3:3:3:2:	3:3:2:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6]C[6,6a]C[6a]O)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a])	C[6,6a](C[6]C[6,6a]C[6a]O)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(OC){2|O<2>,3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|O<2>,2|H<1>,4|C<3>}	122.1195	0.030	2	121.3028	0.975	4	121.4736	0.517	46	121.4686	0.497	48	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	4:3:3:	3:3:3:2:	3:3:2:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6]C[6,6a]C[6a]O)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6,6a])	C[6,6a](C[6]C[6,6a]C[6a]O)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|C<4>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(OH){2|O<2>,3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6,6a]){1|O<2>,2|H<1>,4|C<3>}	122.0995	0.383	2	122.0995	0.146	2	121.4736	0.517	46	121.4686	0.497	48	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	4:3:3:	3:3:3:2:	3:3:2:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6]C[6,6a]C[6a]O)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a])	C[6,6a](C[6]C[6,6a]C[6a]O)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(OH){1|O<2>,4|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|O<2>,2|H<1>,4|C<3>}	121.3698	0.713	32	121.3698	0.508	32	121.4736	0.517	46	121.4686	0.497	48	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	4:3:3:	3:3:3:2:	3:3:3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a](C[6]C[6,6a]C[6a]O)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6,6a](C[6]C[6,6a]C[6a]O)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(OC){1|N<3>,4|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	115.0825	0.606	2	115.0825	0.367	2	115.0825	0.367	2	117.8903	23.835	3	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	4:3:3:	3:3:3:2:	3:3:3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[5a,6]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6]N[5a,6]C[6a]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]H)	C[6,6a](C[6]N[5a,6]C[6a]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<2>,1|O<1>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(OH){1|O<2>,2|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]H){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	123.5060	0.000	1	123.5060	0.000	1	123.5060	0.000	1	117.8903	23.835	3	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	4:3:3:	3:3:3:2:	3:4:3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6]C[6,6a]C[6a]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]OO)(C[6a]C[6a]H)	C[6,6a](C[6]C[6,6a]C[6a]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|H<1>,2|O<2>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(OH){1|C<4>,4|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]OO)(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	123.3815	0.441	2	123.3815	0.194	2	123.3815	0.194	2	123.3815	0.194	2	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	4:3:3:	3:3:3:2:	4:3:3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:O-2:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6]C[5a,6]C[6a]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(OH)	C[6,6a](C[6]C[5a,6]C[6a]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6]C[5a,6]C[6a]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(OH){1|C<4>,1|N<3>,3|H<1>,6|C<3>}	C[6,6a](C[6]C[5a,6]C[6a]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,2|H<1>,8|C<3>}	121.4240	0.000	1	121.4240	0.000	1	121.4240	0.000	1	123.1135	0.512	15	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	4:3:3:	3:3:3:2:	4:3:3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:O-2:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6]C[6,6a]C[6a]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]C)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(OH)	C[6,6a](C[6]C[6,6a]C[6a]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]C)	C[6,6a](C[6]C[6,6a]C[6a]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]C){1|C<4>,1|H<1>,1|O<2>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(OH){1|O<2>,2|C<4>,2|H<1>,6|C<3>}	C[6,6a](C[6]C[6,6a]C[6a]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]C){1|C<4>,1|H<1>,1|O<2>,6|C<3>}	122.3580	0.453	2	122.3580	0.205	2	123.2341	0.316	14	123.1135	0.512	15	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	4:3:3:	3:3:3:2:	4:3:3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:O-2:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6]C[6,6a]C[6a]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(OH)	C[6,6a](C[6]C[6,6a]C[6a]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6]C[6,6a]C[6a]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,2|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(OH){1|C<4>,4|H<1>,6|C<3>}	C[6,6a](C[6]C[6,6a]C[6a]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,2|H<1>,6|C<3>}	123.4778	0.414	10	123.4778	0.171	10	123.2341	0.316	14	123.1135	0.512	15	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	4:3:3:	3:3:3:2:	4:3:3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:O-2:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6]C[6,6a]C[6a]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(OH)	C[6,6a](C[6]C[6,6a]C[6a]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	C[6,6a](C[6]C[6,6a]C[6a]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|H<1>,2|O<2>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(OH){1|O<2>,2|C<4>,2|H<1>,6|C<3>}	C[6,6a](C[6]C[6,6a]C[6a]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|H<1>,2|O<2>,6|C<3>}	122.8920	0.028	2	122.8920	0.001	2	123.2341	0.316	14	123.1135	0.512	15	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	4:3:3:	3:3:3:3:	3:3:2:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6]C[6,6a]C[6a]2)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a])	C[6,6a](C[6]C[6,6a]C[6a]2)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)2{1|O<2>,6|H<1>,8|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a]){2|H<1>,5|C<3>}	119.8535	0.104	2	119.8535	0.011	2	119.8535	0.011	2	121.4229	0.484	21	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	4:3:3:	3:3:3:3:	3:3:2:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6]C[6,6a]C[6a]N)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(NCH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a])	C[6,6a](C[6]C[6,6a]C[6a]N)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(NCH){1|O<2>,4|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|N<3>,2|H<1>,4|C<3>}	122.0755	0.013	2	122.0755	0.000	2	122.3053	0.159	3	121.4229	0.484	21	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	4:3:3:	3:3:3:3:	3:3:2:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6]C[6,6a]C[6a]N)(C[6,6a]C[6a]O[6])(C[6a]C[6a]O)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(NCH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a])	C[6,6a](C[6]C[6,6a]C[6a]N)(C[6,6a]C[6a]O[6])(C[6a]C[6a]O){2|H<1>,5|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(NCH){4|O<2>,7|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,1|N<3>,1|O<2>,4|C<3>}	122.7650	0.000	1	122.7650	0.000	1	122.3053	0.159	3	121.4229	0.484	21	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	4:3:3:	3:3:3:3:	3:3:2:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a](C[6]C[6,6a]C[6a]N)(C[6,6a]C[6a]S[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(NCH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6,6a])	C[6,6a](C[6]C[6,6a]C[6a]N)(C[6,6a]C[6a]S[6])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(NCH){1|S<2>,4|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|N<3>,2|H<1>,4|C<3>}	121.4536	0.372	16	121.4536	0.138	16	121.4536	0.138	16	121.4229	0.484	21	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	4:3:3:	3:3:3:3:	3:3:3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-3:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6]C[5,6]C[6a]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6]C[5,6]C[6a]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|H<1>,1|O<2>,8|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)2{1|C<2>,1|C<4>,5|H<1>,8|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,6|C<3>}	121.4223	0.727	3	121.4223	0.528	3	121.4223	0.528	3	118.8953	3.212	19	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	4:3:3:	3:3:3:3:	3:3:3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a](C[6]C[6,6a]C[6a]2)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6,6a](C[6]C[6,6a]C[6a]2)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,7|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)2{1|N<3>,6|H<1>,8|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,5|C<3>}	117.9055	1.140	4	117.9055	1.300	4	118.4214	2.268	16	118.8953	3.212	19	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	4:3:3:	3:3:3:3:	3:3:3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a](C[6]C[6,6a]C[6a]2)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6]C[6,6a]C[6a]2)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){2|H<1>,8|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)2{1|N<3>,6|H<1>,8|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,7|C<3>}	118.5569	1.782	10	118.5569	3.176	10	118.4214	2.268	16	118.8953	3.212	19	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	4:3:3:	3:3:3:3:	3:3:3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a](C[6]C[6,6a]C[6a]2)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H)	C[6,6a](C[6]C[6,6a]C[6a]2)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){2|H<1>,8|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)2{1|N<3>,6|H<1>,8|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H){2|H<1>,5|C<3>}	118.7760	0.175	2	118.7760	0.031	2	118.4214	2.268	16	118.8953	3.212	19	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	4:3:3:	3:3:3:3:	4:3:3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:C[6a]-3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6]C[5a,6]C[6a]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)2	C[6,6a](C[6]C[5a,6]C[6a]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6]C[5a,6]C[6a]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,2|H<1>,8|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)2{1|C<4>,1|N<3>,5|H<1>,8|C<3>}	C[6,6a](C[6]C[5a,6]C[6a]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|H<1>,7|C<3>}	121.2420	0.000	1	121.2420	0.000	1	121.2420	0.000	1	121.2420	0.000	1	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	4:3:3:	3:3:3:4:	3:3:2:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:N-4:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6]C[6,6a]C[6a]N)(C[6,6a]C[6a]O[6])(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(NCHH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a])	C[6,6a](C[6]C[6,6a]C[6a]N)(C[6,6a]C[6a]O[6])(C[6a]C[6a]O){2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(NCHH){5|O<2>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|H<1>,1|N<4>,1|O<2>,4|C<3>}	122.0820	0.337	2	122.0820	0.113	2	122.0820	0.113	2	122.0820	0.113	2	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	4:3:3:	3:3:3:4:	3:3:3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:C-4:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6]C[5a,6]C[6a]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]H)	C[6,6a](C[6]C[5a,6]C[6a]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(CH3){1|C<4>,3|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	123.3360	0.000	1	123.3360	0.000	1	123.3360	0.000	1	118.8497	3.340	10	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	4:3:3:	3:3:3:4:	3:3:3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:C-4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a](C[6]C[6,6a]C[6a]C)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6,6a](C[6]C[6,6a]C[6a]C)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(CH3){1|N<3>,4|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	116.2090	0.000	1	118.3512	0.962	9	118.3512	0.962	9	118.8497	3.340	10	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	4:3:3:	3:3:3:4:	3:3:3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:C-4:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a](C[6]C[6,6a]C[6a]C)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6,6a](C[6]C[6,6a]C[6a]C)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|H<1>,2|C<4>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(CH3){1|N<3>,4|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	118.6190	0.602	8	118.3512	0.962	9	118.3512	0.962	9	118.8497	3.340	10	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	4:3:3:	3:3:3:4:	3:3:4:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6]C[6a]C[5]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5]N[5]O[5])(C[6a]C[6a]2)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[6]C[6a]C[5]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<2>,1|O<2>,3|C<3>,6|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5]N[5]O[5])(C[6a]C[6a]2)(C[6]C[6]HH){3|C<4>,4|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,3|C<3>,4|H<1>}	121.7200	0.000	1	121.7200	0.000	1	121.7200	0.000	1	121.7200	0.000	1	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	4:3:3:	3:3:4:1:	3:3:2:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[5]-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6]C[6,6a]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[5]C[5]2C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a])	C[6,6a](C[6]C[6,6a]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[5]C[5]2C)(H){1|O<1>,1|O<2>,4|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|C<4>,3|C<3>,3|H<1>}	120.1285	0.182	2	120.1285	0.033	2	120.1285	0.033	2	120.6025	0.269	6	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	4:3:3:	3:3:4:1:	3:3:2:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6]2H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a])	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6]2H)(H){1|H<1>,1|O<2>,2|C<3>,3|O<1>,4|N<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	120.2100	0.000	1	120.2100	0.000	1	120.2100	0.000	1	120.6025	0.269	6	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	4:3:3:	3:3:4:1:	3:3:2:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]S[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6]2H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6,6a])	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]S[6])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6]2H)(H){1|O<1>,1|S<2>,2|C<4>,4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6,6a]){1|C<4>,3|C<3>,3|H<1>}	121.0295	0.330	2	121.0295	0.109	2	121.0295	0.109	2	120.6025	0.269	6	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	4:3:3:	3:3:4:1:	3:3:2:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:N[6a]-3:O[6]-2:	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]N[6a]O[6])(C[6a]N[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6]2H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]C)(O[6]C[6,6a])	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]N[6a]O[6])(C[6a]N[6a]O){1|H<1>,2|C<4>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6]2H)(H){1|H<1>,1|O<2>,2|C<3>,3|O<1>,4|N<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]C)(O[6]C[6,6a]){1|C<4>,1|H<1>,1|N<3>,2|C<3>,2|O<1>}	121.0890	0.000	1	121.0890	0.000	1	121.0890	0.000	1	120.6025	0.269	6	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	4:3:3:	3:3:4:1:	3:3:3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[5]-4:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6]C[6,6a]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[5]C[5,6a]C[5]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6]C[6,6a]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[5]C[5,6a]C[5]C)(H){1|N<3>,1|O<1>,2|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	119.5690	0.468	2	119.5690	0.219	2	120.5913	1.505	4	119.7438	2.190	20	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	4:3:3:	3:3:4:1:	3:3:3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[5]-4:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6]C[6,6a]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[5]C[5]2H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6]C[6,6a]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[5]C[5]2H)(H){1|N<3>,1|O<1>,4|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	121.6135	0.340	2	121.6135	0.116	2	120.5913	1.505	4	119.7438	2.190	20	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	4:3:3:	3:3:4:1:	3:3:3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[5]-4:H-1:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a](C[6]C[6,6a]C[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[5]C[5,6a]2C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C[6,6a](C[6]C[6,6a]C[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){2|C<4>,2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[5]C[5,6a]2C)(H){1|N<3>,2|H<1>,8|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	119.1820	0.461	2	119.1820	0.213	2	119.1820	0.213	2	119.7438	2.190	20	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	4:3:3:	3:3:4:1:	3:3:3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,3|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(H){2|H<1>,9|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	121.8560	0.953	2	121.5735	0.731	4	120.1341	3.321	8	119.7438	2.190	20	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	4:3:3:	3:3:4:1:	3:3:3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,3|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(H){2|H<1>,9|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	121.2910	0.983	2	121.5735	0.731	4	120.1341	3.321	8	119.7438	2.190	20	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	4:3:3:	3:3:4:1:	3:3:3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]N)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]N){1|O<1>,3|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(H){2|N<3>,9|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	117.6715	0.042	2	117.6715	0.002	2	120.1341	3.321	8	119.7438	2.190	20	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	4:3:3:	3:3:4:1:	3:3:3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|O<1>,3|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(H){2|O<2>,9|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	119.7180	0.536	2	119.7180	0.287	2	120.1341	3.321	8	119.7438	2.190	20	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	4:3:3:	3:3:4:1:	3:3:3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]B)(C[6a]C[6a]H)	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|B<3>,3|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(H){1|N<3>,2|H<1>,8|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]B)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	119.3362	0.629	4	119.3362	0.396	4	118.8457	0.816	6	119.7438	2.190	20	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	4:3:3:	3:3:4:1:	3:3:3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H)	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){4|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(H){1|N<3>,2|H<1>,8|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	117.8645	0.083	2	117.8645	0.007	2	118.8457	0.816	6	119.7438	2.190	20	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	4:3:3:	3:3:4:1:	3:4:3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<4>,3|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(H){1|C<4>,2|H<1>,8|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	120.8425	1.019	2	120.8425	1.038	2	119.7411	1.417	12	119.7411	1.417	12	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	4:3:3:	3:3:4:1:	3:4:3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H)	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,4|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(H){1|C<4>,2|H<1>,8|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	119.5208	1.137	10	119.5208	1.293	10	119.7411	1.417	12	119.7411	1.417	12	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	4:3:3:	3:3:4:1:	4:3:2:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6]-4:H-1:	C[6]-4:C[6,6a]-3:N[6a]-2:	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]N[6a]C[6])(C[6a]C[6,6a]C)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(H)	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(N[6a]C[6,6a])	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]N[6a]C[6])(C[6a]C[6,6a]C){2|C<4>,2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(H){3|C<4>,4|C<3>,4|N<2>}	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(N[6a]C[6,6a]){1|N<2>,2|C<4>,2|H<1>,5|C<3>}	115.8840	0.115	2	115.8840	0.013	2	117.5282	3.622	4	117.5282	3.622	4	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	4:3:3:	3:3:4:1:	4:3:2:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6]-4:H-1:	C[6]-4:C[6,6a]-3:N[6a]-2:	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]N[6a]C[6])(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2C)(H)	C[6,6a](C[6]C[6,6a]C[6]C)(C[6,6a]C[6a]C[6])(N[6a]C[6a])	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]N[6a]C[6])(C[6a]C[6a]O){1|H<1>,3|C<4>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2C)(H){1|C<4>,2|O<2>,4|C<3>,4|N<2>}	C[6,6a](C[6]C[6,6a]C[6]C)(C[6,6a]C[6a]C[6])(N[6a]C[6a]){1|C<4>,1|N<2>,1|O<2>,2|H<1>,5|C<3>}	119.1725	0.197	2	119.1725	0.039	2	117.5282	3.622	4	117.5282	3.622	4	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	4:3:3:	3:3:4:1:	4:3:3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6]-4:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(H)	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H){1|C<4>,3|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(H){1|C<4>,2|H<1>,8|C<3>}	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H){1|C<4>,3|H<1>,6|C<3>}	116.8240	0.225	4	116.8240	0.051	4	117.3349	0.447	157	117.4061	0.842	159	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	4:3:3:	3:3:4:1:	4:3:3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6]-4:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]C)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(H)	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]C){1|C<4>,4|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(H){1|C<4>,2|C<2>,8|C<3>}	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<2>,1|C<4>,3|H<1>,5|C<3>}	117.2719	0.664	24	117.2719	0.441	24	117.3349	0.447	157	117.4061	0.842	159	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	4:3:3:	3:3:4:1:	4:3:3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6]-4:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]Cl)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2C)(H)	C[6,6a](C[6]C[6,6a]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]Cl){1|C<4>,2|C<2>,2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2C)(H){2|Cl<1>,1|C<4>,8|C<3>}	C[6,6a](C[6]C[6,6a]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,3|H<1>,5|C<3>}	119.1105	0.113	4	119.1105	0.013	4	117.3349	0.447	157	117.4061	0.842	159	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	4:3:3:	3:3:4:1:	4:3:3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6]-4:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]Cl)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(H)	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]Cl){1|C<4>,4|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(H){1|Cl<1>,1|C<4>,1|H<1>,8|C<3>}	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,3|H<1>,5|C<3>}	117.6600	0.000	1	117.6600	0.000	1	117.3349	0.447	157	117.4061	0.842	159	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	4:3:3:	3:3:4:1:	4:3:3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6]-4:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]Cl)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6]2H)(H)	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]Cl)	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]Cl){2|Cl<1>,2|H<1>,3|C<3>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6]2H)(H){1|Cl<1>,3|C<4>,4|C<3>,5|H<1>}	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]Cl){2|Cl<1>,2|H<1>,3|C<3>,3|C<4>}	116.8090	0.327	2	116.8090	0.107	2	117.3349	0.447	157	117.4061	0.842	159	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	4:3:3:	3:3:4:1:	4:3:3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6]-4:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2C)(H)	C[6,6a](C[6]C[6,6a]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,2|C<2>,2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2C)(H){1|C<4>,2|H<1>,8|C<3>}	C[6,6a](C[6]C[6,6a]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,4|H<1>,5|C<3>}	118.2645	0.035	2	117.9815	0.109	35	117.3349	0.447	157	117.4061	0.842	159	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	4:3:3:	3:3:4:1:	4:3:3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6]-4:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2C)(H)	C[6,6a](C[6]C[6,6a]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,7|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2C)(H){1|C<4>,2|H<1>,8|C<3>}	C[6,6a](C[6]C[6,6a]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,4|H<1>,5|C<3>}	117.9251	0.311	29	117.9815	0.109	35	117.3349	0.447	157	117.4061	0.842	159	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	4:3:3:	3:3:4:1:	4:3:3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6]-4:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2C)(H)	C[6,6a](C[6]C[6,6a]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|H<1>,3|C<4>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2C)(H){1|C<4>,2|H<1>,8|C<3>}	C[6,6a](C[6]C[6,6a]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,4|H<1>,5|C<3>}	118.2482	0.394	4	117.9815	0.109	35	117.3349	0.447	157	117.4061	0.842	159	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	4:3:3:	3:3:4:1:	4:3:3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6]-4:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(H)	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]C)	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<2>,1|C<4>,3|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(H){1|C<4>,2|H<1>,8|C<3>}	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]C){1|C<4>,4|H<1>,5|C<3>}	116.7380	0.490	23	116.7380	0.240	23	117.3349	0.447	157	117.4061	0.842	159	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	4:3:3:	3:3:4:1:	4:3:3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6]-4:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(H)	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]Cl)	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,3|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(H){1|C<4>,2|H<1>,8|C<3>}	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]Cl){1|C<4>,4|H<1>,5|C<3>}	116.6430	0.000	1	116.6430	0.000	1	117.3349	0.447	157	117.4061	0.842	159	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	4:3:3:	3:3:4:1:	4:3:3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6]-4:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(H)	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(H){1|C<4>,2|H<1>,8|C<3>}	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,4|H<1>,5|C<3>}	117.1655	0.237	2	117.0878	0.091	53	117.3349	0.447	157	117.4061	0.842	159	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	4:3:3:	3:3:4:1:	4:3:3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6]-4:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(H)	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,3|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(H){1|C<4>,2|H<1>,8|C<3>}	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,4|H<1>,5|C<3>}	117.0963	0.474	6	117.0878	0.091	53	117.3349	0.447	157	117.4061	0.842	159	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	4:3:3:	3:3:4:1:	4:3:3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6]-4:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(H)	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,4|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(H){1|C<4>,2|H<1>,8|C<3>}	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|H<1>,5|C<3>}	117.0380	0.000	1	117.0878	0.091	53	117.3349	0.447	157	117.4061	0.842	159	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	4:3:3:	3:3:4:1:	4:3:3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6]-4:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(H)	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,4|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(H){1|C<4>,2|H<1>,8|C<3>}	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,3|H<1>,6|C<3>}	116.8032	0.294	6	117.0878	0.091	53	117.3349	0.447	157	117.4061	0.842	159	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	4:3:3:	3:3:4:1:	4:3:3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6]-4:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(H)	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,4|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(H){1|C<4>,2|H<1>,8|C<3>}	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,4|H<1>,5|C<3>}	117.0941	0.246	21	117.0878	0.091	53	117.3349	0.447	157	117.4061	0.842	159	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	4:3:3:	3:3:4:1:	4:3:3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6]-4:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(H)	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,4|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(H){1|C<4>,2|H<1>,8|C<3>}	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<4>,3|H<1>,5|C<3>}	117.3713	0.250	3	117.0878	0.091	53	117.3349	0.447	157	117.4061	0.842	159	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	4:3:3:	3:3:4:1:	4:3:3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6]-4:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(H)	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,4|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(H){1|Cl<1>,1|C<4>,1|H<1>,8|C<3>}	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,4|H<1>,5|C<3>}	117.4820	0.000	1	117.0878	0.091	53	117.3349	0.447	157	117.4061	0.842	159	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	4:3:3:	3:3:4:1:	4:3:3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6]-4:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(H)	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<4>,3|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(H){1|C<4>,2|H<1>,8|C<3>}	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,4|H<1>,5|C<3>}	116.8737	0.222	3	117.0878	0.091	53	117.3349	0.447	157	117.4061	0.842	159	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	4:3:3:	3:3:4:1:	4:3:3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6]-4:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(H)	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<4>,3|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(H){1|C<4>,2|H<1>,8|C<3>}	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<4>,3|H<1>,5|C<3>}	117.1692	0.255	10	117.0878	0.091	53	117.3349	0.447	157	117.4061	0.842	159	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	4:3:3:	3:3:4:1:	4:3:3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6]-4:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(H)	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]N[6a])	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<2>,3|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(H){1|C<4>,2|H<1>,8|C<3>}	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]N[6a]){1|C<4>,1|N<2>,3|H<1>,6|C<3>}	117.2345	0.336	2	117.2345	0.113	2	117.3349	0.447	157	117.4061	0.842	159	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	4:3:3:	3:3:4:1:	4:3:3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6]-4:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]C[6]C)(H)	C[6,6a](C[6]C[6,6a]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<2>,1|C<4>,2|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]C[6]C)(H){1|C<4>,1|O<2>,2|H<1>,7|C<3>}	C[6,6a](C[6]C[6,6a]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,4|H<1>,5|C<3>}	118.5455	0.100	2	118.5455	0.010	2	117.3349	0.447	157	117.4061	0.842	159	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	4:3:3:	3:3:4:1:	4:3:3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6]-4:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]C[6]H)(H)	C[6,6a](C[6]C[6,6a]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<4>,3|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]C[6]H)(H){1|C<4>,3|H<1>,7|C<3>}	C[6,6a](C[6]C[6,6a]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,4|H<1>,5|C<3>}	117.9050	0.537	2	117.9050	0.289	2	117.3349	0.447	157	117.4061	0.842	159	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	4:3:3:	3:3:4:1:	4:3:3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6]-4:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6]2H)(H)	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){3|C<3>,3|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6]2H)(H){1|Cl<1>,3|C<4>,4|C<3>,5|H<1>}	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){3|C<3>,3|C<4>,4|H<1>}	116.9310	0.028	2	116.9310	0.001	2	117.3349	0.447	157	117.4061	0.842	159	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	4:3:3:	3:3:4:1:	4:3:3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6]-4:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]N[6a])	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(H)	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]N[6a]){1|C<4>,1|N<2>,3|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(H){1|C<4>,2|N<2>,8|C<3>}	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<2>,3|H<1>,5|C<3>}	117.0925	0.360	2	117.0925	0.130	2	117.3349	0.447	157	117.4061	0.842	159	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	4:3:3:	3:3:4:1:	4:3:3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:Ge[6]-4:H-1:	Ge[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6]C[6,6a]Ge[6]H)(C[6,6a]C[6a]Ge[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(Ge[6]C[6,6a]2C[6a])(H)	C[6,6a](Ge[6]C[6,6a]C[6a]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6]C[6,6a]Ge[6]H)(C[6,6a]C[6a]Ge[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,7|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(Ge[6]C[6,6a]2C[6a])(H){10|C<3>,1|Ge<4>,2|H<1>}	C[6,6a](Ge[6]C[6,6a]C[6a]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|Ge<4>,4|H<1>,7|C<3>}	122.9980	0.157	2	122.9980	0.025	2	122.9980	0.025	2	117.4061	0.842	159	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	4:3:3:	3:3:4:2:	3:3:2:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6]-4:O-2:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6]C[6,6a]C[6]O)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6]N[6]H)(OSi)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a])	C[6,6a](C[6]C[6,6a]C[6]O)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6]N[6]H)(OSi){1|C<4>,1|O<2>,4|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6a]){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	120.2765	0.500	2	120.2765	0.250	2	120.2765	0.250	2	120.2765	0.250	2	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	4:3:3:	3:3:4:2:	3:4:3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6]-4:C-2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6]C[6,6a]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6]2H)(CN)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C[6,6a](C[6]C[6,6a]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<2>,1|C<4>,3|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6]2H)(CN){1|Br<1>,2|C<4>,4|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|C<2>,1|C<4>,2|H<1>,3|C<3>}	119.3770	0.266	2	119.3770	0.071	2	119.3770	0.071	2	120.2698	0.523	6	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	4:3:3:	3:3:4:2:	3:4:3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6]-4:O-2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6]C[6,6a]C[6]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2O)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HH)(C[6a]C[6a]H)	C[6,6a](C[6]C[6,6a]C[6]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,4|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2O)(OH){1|C<4>,2|H<1>,8|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HH)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	120.7163	0.226	4	120.7163	0.051	4	120.7163	0.051	4	120.2698	0.523	6	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	4:3:3:	3:3:4:2:	4:3:3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6]-4:C-2:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6]C[6,6a]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(CC)	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]Cl)	C[6,6a](C[6]C[6,6a]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,3|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(CC){1|C<4>,2|H<1>,8|C<3>}	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]Cl){1|C<4>,2|C<2>,2|H<1>,5|C<3>}	116.1440	0.154	4	116.1440	0.024	4	116.3104	0.206	8	116.3104	0.206	8	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	4:3:3:	3:3:4:2:	4:3:3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6]-4:C-2:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6]C[6,6a]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(CC)	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6]C[6,6a]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,4|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(CC){1|C<4>,2|H<1>,8|C<3>}	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,2|C<2>,2|H<1>,5|C<3>}	117.0035	0.117	2	117.0035	0.014	2	116.3104	0.206	8	116.3104	0.206	8	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	4:3:3:	3:3:4:2:	4:3:3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6]-4:C-2:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6]C[6,6a]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]C[6]H)(CN)	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6]C[6,6a]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,4|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]C[6]H)(CN){1|C<4>,3|H<1>,7|C<3>}	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<2>,1|C<4>,2|H<1>,6|C<3>}	115.9500	0.157	2	115.9500	0.025	2	116.3104	0.206	8	116.3104	0.206	8	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	4:3:3:	3:3:4:3:	4:3:3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6]-4:C-3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6]C[6,6a]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(CCO)	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6]C[6,6a]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,4|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(CCO){1|C<4>,2|H<1>,8|C<3>}	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,7|C<3>}	116.9590	0.485	2	116.9590	0.235	2	116.7676	0.070	28	116.7676	0.070	28	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	4:3:3:	3:3:4:3:	4:3:3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6]-4:C-3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6]C[6,6a]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(CHO)	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6]C[6,6a]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,4|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(CHO){1|C<4>,2|H<1>,8|C<3>}	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,7|C<3>}	116.9294	0.159	11	116.9294	0.025	11	116.7676	0.070	28	116.7676	0.070	28	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	4:3:3:	3:3:4:3:	4:3:3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6]-4:C-3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6]C[6,6a]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(COO)	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6]C[6,6a]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,4|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(COO){1|C<4>,2|H<1>,8|C<3>}	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,7|C<3>}	116.6235	0.227	15	116.6235	0.051	15	116.7676	0.070	28	116.7676	0.070	28	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	4:3:3:	3:3:4:4:	4:3:3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6]-4:C-4:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6]C[6,6a]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(CH3)	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6]C[6,6a]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,4|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(CH3){1|C<4>,2|H<1>,8|C<3>}	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|H<1>,3|C<4>,5|C<3>}	116.7365	0.107	2	116.7365	0.011	2	116.7973	0.238	6	116.7973	0.238	6	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	4:3:3:	3:3:4:4:	4:3:3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6]-4:C-4:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6]C[6,6a]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(CN[5]HH)	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6]C[6,6a]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,4|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(CN[5]HH){1|C<4>,2|H<1>,8|C<3>}	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|H<1>,3|C<4>,5|C<3>}	116.4805	0.500	2	116.4805	0.250	2	116.7973	0.238	6	116.7973	0.238	6	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	4:3:3:	3:3:4:4:	4:3:3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6]-4:C-4:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6]C[6,6a]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]C[6]H)(CHHN)	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6]C[6,6a]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,4|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]C[6]H)(CHHN){1|C<4>,3|H<1>,7|C<3>}	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<4>,3|H<1>,5|C<3>}	117.1750	0.659	2	117.1750	0.434	2	116.7973	0.238	6	116.7973	0.238	6	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	4:3:3:	3:4:3:1:	3:3:2:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]O[6])(C[6a]C[5,6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(O[6]C[5,6])	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]O[6])(C[6a]C[5,6a]H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H){1|O<2>,4|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(O[6]C[5,6]){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	118.2423	0.425	3	118.2423	0.181	3	117.9633	2.500	7	119.5765	3.871	18	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	4:3:3:	3:4:3:1:	3:3:2:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6])	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|O<2>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6]){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	119.3440	0.000	1	119.3440	0.000	1	117.9633	2.500	7	119.5765	3.871	18	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	4:3:3:	3:4:3:1:	3:3:2:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5]C)(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6])	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5]C)(C[6a]C[6a]2)(H){1|C<4>,2|O<2>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6]){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	115.5270	0.000	1	115.5270	0.000	1	117.9633	2.500	7	119.5765	3.871	18	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	4:3:3:	3:4:3:1:	3:3:2:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]C)(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6])	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]C)(C[6a]C[6a]2)(H){1|O<2>,4|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6]){1|C<4>,3|C<3>,4|H<1>}	116.2640	0.000	1	116.2640	0.000	1	117.9633	2.500	7	119.5765	3.871	18	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	4:3:3:	3:4:3:1:	3:3:2:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6])	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]O){1|C<4>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H){1|C<4>,1|H<1>,1|O<1>,3|O<2>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[5,6]){1|C<4>,1|H<1>,3|C<3>,3|O<2>}	119.8810	0.000	1	119.8810	0.000	1	117.9633	2.500	7	119.5765	3.871	18	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	4:3:3:	3:4:3:1:	3:3:2:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[6,6a]-3:N[6]-3:N[6a]-2:	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]N[6a]N[6])(C[6a]N[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[5,6]H)(N[6a]C[6a])	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]N[6a]N[6])(C[6a]N[6a]O){1|C<4>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H){1|N<2>,1|O<2>,2|H<1>,2|N<3>,2|O<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[5,6]H)(N[6a]C[6a]){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|O<2>}	120.5070	0.000	1	120.5070	0.000	1	120.5070	0.000	1	119.5765	3.871	18	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	4:3:3:	3:4:3:1:	3:3:2:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]O[6])(C[6a]C[5,6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(O[6]C[6,6])	C[6,6a](C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]O[6])(C[6a]C[5,6a]H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(H){3|O<2>,5|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(O[6]C[6,6]){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	121.9100	0.829	2	121.9100	0.687	2	120.6127	2.331	10	119.5765	3.871	18	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	4:3:3:	3:4:3:1:	3:3:2:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	C[6,6a](C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(H){1|O<1>,2|C<4>,2|O<2>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	122.3280	0.000	1	121.1403	1.299	3	120.6127	2.331	10	119.5765	3.871	18	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	4:3:3:	3:4:3:1:	3:3:2:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6])	C[6,6a](C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<2>,5|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6,6]){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	120.5465	0.694	2	121.1403	1.299	3	120.6127	2.331	10	119.5765	3.871	18	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	4:3:3:	3:4:3:1:	3:3:2:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)(C[6a]C[6a]2)(H){1|C<4>,1|O<2>,2|O<1>,5|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	119.7300	0.194	2	119.1260	0.508	4	120.6127	2.331	10	119.5765	3.871	18	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	4:3:3:	3:4:3:1:	3:3:2:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6])	C[6,6a](C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)(C[6a]C[6a]2)(H){1|O<2>,2|C<4>,2|O<1>,4|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(O[6]C[6]){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	118.5220	0.164	2	119.1260	0.508	4	120.6127	2.331	10	119.5765	3.871	18	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	4:3:3:	3:4:3:1:	3:3:2:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:O[6]-2:	C[6,6a](C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6,6])	C[6,6a](C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]O){1|H<1>,2|C<4>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(H){2|C<4>,2|O<2>,4|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(O[6]C[6,6]){1|H<1>,2|C<4>,2|O<2>,3|C<3>}	122.3820	0.000	1	122.3820	0.000	1	120.6127	2.331	10	119.5765	3.871	18	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	4:3:3:	3:4:3:1:	3:3:3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[5,6]O)	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,1|O<2>,4|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[5,6]O){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	121.9740	0.000	1	121.5915	0.293	2	121.5915	0.293	2	121.3677	1.154	15	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	4:3:3:	3:4:3:1:	3:3:3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[5,6]O)	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,2|O<2>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[5,6]O){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	121.2090	0.000	1	121.5915	0.293	2	121.5915	0.293	2	121.3677	1.154	15	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	4:3:3:	3:4:3:1:	3:3:3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]H)	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|Br<1>,2|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H){1|C<4>,2|N<3>,4|C<3>,6|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]H){2|C<3>,2|C<4>,4|H<1>}	122.1140	0.751	2	121.5287	1.373	10	121.5287	1.373	10	121.3677	1.154	15	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	4:3:3:	3:4:3:1:	3:3:3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]H)	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|Br<1>,2|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H){1|N<3>,2|C<4>,4|C<3>,6|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]H){2|C<3>,2|C<4>,4|H<1>}	119.7445	1.471	2	121.5287	1.373	10	121.5287	1.373	10	121.3677	1.154	15	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	4:3:3:	3:4:3:1:	3:3:3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]H)	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|Cl<1>,2|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H){1|C<4>,2|N<3>,4|C<3>,6|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]H){2|C<3>,2|C<4>,4|H<1>}	121.9200	0.781	2	121.5287	1.373	10	121.5287	1.373	10	121.3677	1.154	15	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	4:3:3:	3:4:3:1:	3:3:3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]H)	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H){1|C<4>,2|N<3>,4|C<3>,6|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]H){2|C<3>,2|C<4>,4|H<1>}	121.9860	0.000	1	121.5287	1.373	10	121.5287	1.373	10	121.3677	1.154	15	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	4:3:3:	3:4:3:1:	3:3:3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]H)	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H){1|C<4>,2|N<3>,4|C<3>,6|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]H){2|C<3>,2|C<4>,4|H<1>}	121.5460	0.430	2	121.5287	1.373	10	121.5287	1.373	10	121.3677	1.154	15	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	4:3:3:	3:4:3:1:	3:3:3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]H)	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){3|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H){1|C<4>,2|N<3>,4|C<3>,6|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]H){2|C<3>,2|C<4>,4|H<1>}	122.6520	0.000	1	121.5287	1.373	10	121.5287	1.373	10	121.3677	1.154	15	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	4:3:3:	3:4:3:1:	3:3:3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,3|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(H){1|C<4>,5|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]C[6a])(C[6a]C[6a]H){1|C<4>,3|H<1>,5|C<3>}	119.6030	0.000	1	119.6030	0.000	1	120.6817	0.873	3	121.3677	1.154	15	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	4:3:3:	3:4:3:1:	3:3:3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6]C)(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H)	C[6,6a](C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6]C)(C[6a]C[6a]2)(H){1|C<4>,4|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]O)(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	121.2210	0.000	2	121.2210	0.000	2	120.6817	0.873	3	121.3677	1.154	15	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	4:3:3:	3:4:3:1:	3:3:4:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[5,6]FH)	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H){1|C<4>,1|F<1>,1|O<2>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,2|C<4>,4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[5,6]FH){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	122.5820	0.000	1	122.5820	0.000	1	122.8698	0.164	12	122.8698	0.164	12	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	4:3:3:	3:4:3:1:	3:3:4:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[5,6]HH)	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H){1|O<2>,2|C<4>,4|C<3>,6|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[5,6]HH){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	122.6470	0.000	1	122.6470	0.000	1	122.8698	0.164	12	122.8698	0.164	12	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	4:3:3:	3:4:3:1:	3:3:4:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[5,6]HN)	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H){1|C<4>,1|N<2>,1|O<2>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,2|C<4>,4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[5,6]HN){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	123.3800	0.000	1	122.8430	0.100	5	122.8698	0.164	12	122.8698	0.164	12	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	4:3:3:	3:4:3:1:	3:3:4:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[5,6]HN)	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H){1|C<4>,1|N<3>,1|O<2>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,2|C<4>,4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[5,6]HN){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	122.7087	0.114	4	122.8430	0.100	5	122.8698	0.164	12	122.8698	0.164	12	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	4:3:3:	3:4:3:1:	3:3:4:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[5,6]HO)	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H){1|C<4>,2|O<2>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,2|C<4>,4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[5,6]HO){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	123.6330	0.000	1	123.6330	0.000	1	122.8698	0.164	12	122.8698	0.164	12	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	4:3:3:	3:4:3:1:	3:3:4:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]O)(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[5,6]HH)	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H){1|C<4>,2|O<2>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]O)(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,2|C<4>,4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[5,6]HH){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	123.0410	0.000	1	123.0410	0.000	1	122.8698	0.164	12	122.8698	0.164	12	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	4:3:3:	3:4:3:1:	3:3:4:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H)(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[5,6]HH)	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H){1|C<4>,2|O<2>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H)(C[6a]C[6a]2)(H){2|C<4>,4|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[5,6]HH){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	122.2860	0.000	1	122.2860	0.000	1	122.8698	0.164	12	122.8698	0.164	12	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	4:3:3:	3:4:3:1:	3:3:4:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[5,6]HH)	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]O){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H){2|C<4>,2|O<2>,4|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[5,6]HH){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	122.6500	0.000	1	122.6500	0.000	1	122.8698	0.164	12	122.8698	0.164	12	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	4:3:3:	3:4:3:1:	3:3:4:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[6,6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]H)(C[6]C[5,6]HO)	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[6,6a]H){1|C<4>,2|O<2>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,2|C<4>,4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]H)(C[6]C[5,6]HO){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	123.3840	0.000	1	123.3840	0.000	1	122.8698	0.164	12	122.8698	0.164	12	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	4:3:3:	3:4:3:1:	3:4:3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]CC)(C[6a]C[6a]H)	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){3|C<3>,3|H<1>,4|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H){3|C<4>,4|C<3>,6|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]CC)(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	122.7820	0.000	1	122.7820	0.000	1	120.0093	7.673	7	119.9783	6.585	8	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	4:3:3:	3:4:3:1:	3:4:3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]CH)(C[6a]C[6a]H)	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<4>,4|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|C<4>,4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]CH)(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	118.6110	0.000	1	117.4435	2.726	2	120.0093	7.673	7	119.9783	6.585	8	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	4:3:3:	3:4:3:1:	3:4:3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]CH)(C[6a]C[6a]H)	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<4>,4|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|C<4>,4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]CH)(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	116.2760	0.000	1	117.4435	2.726	2	120.0093	7.673	7	119.9783	6.585	8	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	4:3:3:	3:4:3:1:	3:4:3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]H)	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<2>,1|C<4>,4|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|C<4>,4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	122.6510	0.000	1	121.8140	1.401	2	120.0093	7.673	7	119.9783	6.585	8	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	4:3:3:	3:4:3:1:	3:4:3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]H)	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<4>,3|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,5|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	120.9770	0.000	1	121.8140	1.401	2	120.0093	7.673	7	119.9783	6.585	8	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	4:3:3:	3:4:3:1:	3:4:3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HO)(C[6a]C[6a]H)	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H){3|C<4>,4|C<3>,6|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HO)(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	116.7610	0.000	1	119.3840	13.760	2	120.0093	7.673	7	119.9783	6.585	8	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	4:3:3:	3:4:3:1:	3:4:3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HO)(C[6a]C[6a]H)	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<4>,2|O<2>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H){2|C<4>,2|O<2>,4|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HO)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	122.0070	0.000	1	119.3840	13.760	2	120.0093	7.673	7	119.9783	6.585	8	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	4:3:3:	3:4:3:1:	3:4:3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6]H)(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[6,6]HH)(C[6a]C[6a]H)	C[6,6a](C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6]H)(C[6a]C[6a]2)(H){2|C<4>,5|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[6,6]HH)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	119.7610	0.000	1	119.7610	0.000	1	119.7610	0.000	1	119.9783	6.585	8	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	4:3:3:	3:4:3:1:	4:3:3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H)	C[6,6a](C[6]C[5,6]N[5a]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H){1|C<4>,1|N<3>,1|O<2>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,2|C<4>,4|C<3>,4|H<1>}	C[6,6a](C[6]C[5,6]N[5a]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H){1|N<2>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	124.0067	0.149	3	124.0067	0.022	3	124.0067	0.022	3	123.3617	0.588	6	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	4:3:3:	3:4:3:1:	4:3:3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:N[5a]-3:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6]C[5,6]N[5a]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(N[5a]C[5a]N[5a])(H)	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)	C[6,6a](C[6]C[5,6]N[5a]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H){1|N<2>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(N[5a]C[5a]N[5a])(H){1|C<4>,1|N<2>,1|O<2>,4|C<3>,5|H<1>}	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H){1|C<4>,1|N<3>,1|O<2>,3|H<1>,4|C<3>}	122.7167	0.446	3	122.7167	0.199	3	122.7167	0.199	3	123.3617	0.588	6	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	4:3:3:	3:4:3:2:	3:3:2:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[3]-4:C[6a]-3:O[6]-2:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a](C[6]C[6a]C[3]O[6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[3]C[3]2Br)(C[6a]C[6a]2)(O[6]C[6])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6,6a](C[6]C[6a]C[3]O[6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|Br<1>,2|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[3]C[3]2Br)(C[6a]C[6a]2)(O[6]C[6]){1|C<4>,1|N<2>,4|C<3>,7|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	118.4060	0.000	1	118.4060	0.000	1	118.4060	0.000	1	118.4060	0.000	1	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	4:3:3:	3:4:3:3:	3:3:3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[5,6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a](C[6]C[5,6]C[6a]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6]C[5,6]C[6a]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){3|H<1>,8|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)2{1|N<3>,1|O<1>,5|H<1>,8|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,6|C<3>}	119.3250	0.000	1	119.3250	0.000	1	119.3250	0.000	1	119.3250	0.000	1	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	4:3:3:	4:3:1:1:	4:3:3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[3,4,4x6]-4:C[6,6a]-3:H-1:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6]C[3,4,4x6]HH)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[3,4,4x6]B[4x3,4,5,5,8x6]B[3x3,5,6x6]C[3,4,4x6])(C[6,6a]C[6,6a]C[6a])(H)2	C[6,6a](C[6]C[3,4,4x6]HH)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6]C[3,4,4x6]HH)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|B<5>,1|B<6>,1|C<3>,1|C<4>,4|H<1>}	C[6](C[3,4,4x6]B[4x3,4,5,5,8x6]B[3x3,5,6x6]C[3,4,4x6])(C[6,6a]C[6,6a]C[6a])(H)2{1|C<4>,2|B<5>,2|C<3>,3|B<6>,3|H<1>}	C[6,6a](C[6]C[3,4,4x6]HH)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|B<5>,1|B<6>,1|C<3>,1|C<4>,4|H<1>}	117.5020	0.096	4	117.5020	0.009	4	117.5020	0.009	4	119.9891	7.383	8	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	4:3:3:	4:3:1:1:	4:3:3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[3,5,5,6,6]-4:C[6,6a]-3:H-1:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6]C[3,5,5,6,6]HH)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[3,5,5,6,6]C[3,5,5,6]C[3x5,6,6]C[3,5,5])(C[6,6a]C[6,6a]C[6a])(H)2	C[6,6a](C[6]C[3x5,6,6]HH)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6]C[3,5,5,6,6]HH)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	C[6](C[3,5,5,6,6]C[3,5,5,6]C[3x5,6,6]C[3,5,5])(C[6,6a]C[6,6a]C[6a])(H)2{1|Sn<4>,1|O<2>,2|H<1>,3|C<3>,3|C<4>}	C[6,6a](C[6]C[3x5,6,6]HH)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	121.9580	0.468	2	121.9580	0.219	2	121.9580	0.219	2	119.9891	7.383	8	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	4:3:3:	4:3:1:1:	4:3:3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[3x5,6,6]-4:C[6,6a]-3:H-1:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6]C[3x5,6,6]HH)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[3x5,6,6]C[3,5,5,6,6]C[4x5]C[5,6])(C[6,6a]C[6,6a]C[6a])(H)2	C[6,6a](C[6]C[3,5,5,6,6]HH)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6]C[3x5,6,6]HH)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	C[6](C[3x5,6,6]C[3,5,5,6,6]C[4x5]C[5,6])(C[6,6a]C[6,6a]C[6a])(H)2{2|H<1>,2|O<2>,3|C<3>,4|C<4>}	C[6,6a](C[6]C[3,5,5,6,6]HH)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	122.3330	0.000	1	122.3330	0.000	1	122.9945	0.875	2	119.9891	7.383	8	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	4:3:3:	4:3:1:1:	4:3:3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[3x5,6,6]-4:C[6,6a]-3:H-1:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6]C[3x5,6,6]HH)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[3x5,6,6]C[3,5,5,6,6]C[5,6,6a]C[4x5])(C[6,6a]C[6,6a]C[6a])(H)2	C[6,6a](C[6]C[3,5,5,6,6]HH)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6]C[3x5,6,6]HH)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	C[6](C[3x5,6,6]C[3,5,5,6,6]C[5,6,6a]C[4x5])(C[6,6a]C[6,6a]C[6a])(H)2{1|H<1>,2|O<2>,4|C<3>,4|C<4>}	C[6,6a](C[6]C[3,5,5,6,6]HH)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	123.6560	0.000	1	123.6560	0.000	1	122.9945	0.875	2	119.9891	7.383	8	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	4:3:3:	4:3:2:1:	4:3:3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[5,5,6,6]-4:C[6,6a]-3:O-2:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6]C[5,5,6,6]HO)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]C[5])(C[6,6a]C[6,6a]C[6a])(OC[6a])(H)	C[6,6a](C[6]C[5,5,6,6]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6]C[5,5,6,6]HO)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	C[6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]C[5])(C[6,6a]C[6,6a]C[6a])(OC[6a])(H){1|O<1>,1|O<2>,2|H<1>,3|C<4>,4|C<3>}	C[6,6a](C[6]C[5,5,6,6]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,2|C<4>,3|H<1>,4|C<3>}	116.7960	0.000	1	116.7960	0.000	1	116.7960	0.000	1	116.7960	0.000	1	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	4:3:3:	4:3:3:1:	3:4:3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[6,6]HH)(C[6a]C[6a]O)	C[6,6a](C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,1|O<2>,4|C<3>,4|H<1>}	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H){2|C<4>,3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[6,6]HH)(C[6a]C[6a]O){2|C<3>,2|C<4>,3|H<1>}	119.7980	0.000	1	119.7980	0.000	1	119.7980	0.000	1	119.7980	0.000	1	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	4:3:3:	4:3:3:1:	4:3:3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[5,5,6,6]-4:C[6,6a]-3:C[6a]-3:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6]C[5,5,6,6]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]C[5])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H)	C[6,6a](C[6]C[5,5,6,6]HO)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6]C[5,5,6,6]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,2|C<4>,3|H<1>,4|C<3>}	C[6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]C[5])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H){1|O<1>,2|O<2>,3|C<4>,3|H<1>,6|C<3>}	C[6,6a](C[6]C[5,5,6,6]HO)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	115.9250	0.000	1	115.9250	0.000	1	115.9250	0.000	1	115.9250	0.000	1	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	4:3:3:	5:3:1:1:	4:3:3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[3x3,3x5,13x6]-5:C[6,6a]-3:H-1:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6]C[3x3,3x5,13x6]HH)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[3x3,3x5,13x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,13x6])(C[6,6a]C[6,6a]C[6a])(H)2	C[6,6a](C[6]C[3x3,3x5,13x6]HH)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6]C[3x3,3x5,13x6]HH)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|B<5>,1|C<3>,1|C<5>,2|B<6>,4|H<1>}	C[6](C[3x3,3x5,13x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,13x6])(C[6,6a]C[6,6a]C[6a])(H)2{1|B<5>,1|C<4>,2|C<3>,4|B<6>,4|H<1>}	C[6,6a](C[6]C[3x3,3x5,13x6]HH)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|B<5>,1|C<3>,1|C<5>,2|B<6>,4|H<1>}	118.6453	0.156	3	118.6453	0.024	3	118.5083	0.091	4	118.5083	0.091	4	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	4:3:3:	5:3:1:1:	4:3:3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[3x3,3x5,13x6]-5:C[6,6a]-3:H-1:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6]C[3x3,3x5,13x6]HH)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[3x3,3x5,13x6]B[3x3,4x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,13x6])(C[6,6a]C[6,6a]C[6a])(H)2	C[6,6a](C[6]C[3x3,3x5,13x6]HH)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6]C[3x3,3x5,13x6]HH)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|B<5>,1|C<3>,1|C<5>,2|B<6>,4|H<1>}	C[6](C[3x3,3x5,13x6]B[3x3,4x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,13x6])(C[6,6a]C[6,6a]C[6a])(H)2{1|B<5>,1|C<4>,1|O<2>,2|C<3>,3|H<1>,4|B<6>}	C[6,6a](C[6]C[3x3,3x5,13x6]HH)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|B<5>,1|C<3>,1|C<5>,2|B<6>,4|H<1>}	118.0970	0.000	1	118.0970	0.000	1	118.5083	0.091	4	118.5083	0.091	4	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	4:3:3:	5:3:3:1:	3:4:3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[3,3,5,4x6]-5:C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a](C[6]C[3,3,5,4x6]C[6,6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[3,3,5,4x6]B[3x3,5,5,7x6]B[5x3,5,5,4x6]C[3x3,5,5,7x6]Fe)(C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HH)(C[6a]C[6a]H)	C[6,6a](C[6]C[3,3,5,4x6]C[6,6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|Fe<11>,1|C<6>,2|B<6>,3|C<3>,4|H<1>}	C[6](C[3,3,5,4x6]B[3x3,5,5,7x6]B[5x3,5,5,4x6]C[3x3,5,5,7x6]Fe)(C[6,6a]C[6,6a]C[6a])2(H){1|C<4>,4|B<6>,4|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HH)(C[6a]C[6a]H){1|C<5>,3|C<3>,3|H<1>}	121.8290	0.430	4	121.8290	0.185	4	121.8290	0.185	4	121.8290	0.185	4	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	4:3:3:	6:3:1:1:	4:3:3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[3x3,3x5,13x6]-6:C[6,6a]-3:H-1:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6]C[3x3,3x5,13x6]HH)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[3x3,3x5,13x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,13x6]Rh)(C[6,6a]C[6,6a]C[6a])(H)2	C[6,6a](C[6]C[3x3,3x5,13x6]HH)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6]C[3x3,3x5,13x6]HH)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|Rh<10>,1|C<3>,1|C<6>,3|B<6>,4|H<1>}	C[6](C[3x3,3x5,13x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,13x6]Rh)(C[6,6a]C[6,6a]C[6a])(H)2{1|C<4>,2|C<3>,4|H<1>,5|B<6>}	C[6,6a](C[6]C[3x3,3x5,13x6]HH)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|Rh<10>,1|C<3>,1|C<6>,3|B<6>,4|H<1>}	123.9775	1.117	2	123.9775	1.247	2	123.9775	1.247	2	123.4782	0.515	6	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	4:3:3:	6:3:1:1:	4:3:3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[5x3,5x5,21x6]-6:C[6,6a]-3:H-1:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a](C[6]C[5x3,5x5,21x6]HH)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6,6a]C[6,6a]C[6a])(H)2	C[6,6a](C[6]C[5x3,5x5,21x6]HH)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6]C[5x3,5x5,21x6]HH)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|C<6>,4|B<6>,4|H<1>}	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6,6a]C[6,6a]C[6a])(H)2{1|C<4>,2|C<3>,5|B<6>,5|H<1>}	C[6,6a](C[6]C[5x3,5x5,21x6]HH)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|C<6>,4|B<6>,4|H<1>}	123.2285	0.440	4	123.2285	0.194	4	123.2285	0.194	4	123.4782	0.515	6	120.2300	4.171	7454	118.7792	11.659	11851
643	466	643	6:SP2_SP2_SP3	C[6,6a]	C[6]	C[6,6a]	4:3:3:	6:3:3:1:	3:3:3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[5x3,5x5,20x6]-6:C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a](C[6]C[5x3,5x5,20x6]C[6,6a]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[6](C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H)	C[6,6a](C[6]C[5x3,5x5,20x6]C[6,6a]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<6>,3|C<3>,3|H<1>,4|B<6>}	C[6](C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6,6a]C[6,6a]C[6a])2(H){1|N<3>,4|C<3>,5|B<6>,7|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H){1|C<6>,3|C<3>,3|H<1>}	119.1365	0.016	2	119.1365	0.000	2	119.1365	0.000	2	119.1365	0.000	2	120.2300	4.171	7454	118.7792	11.659	11851